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The decays of charmed mesons into two body nonleptonic final states are investigated. Weak interaction amplitudes of interest in these decays are extracted from lattice four-point correlation functions using a effective weak Hamiltonian including effects to order G{sub f} in the weak interactions yet containing effects to all orders in the strong interactions. The lattice calculation allows a quantitative examination of non-spectator processes in charm decays helping to elucidate the role of effects such as color coherence, final state interactions and the importance of the so called weak annihilation process. For D {yields} K{pi}, we find that the non-spectator weak annihilation diagram is not small, and we interpret this as evidence for large final state interactions. Moreover, there is indications of a resonance in the isospin {1/2} channel to which the weak annihilation process contributes exclusively. Findings from the ...

CERN Document Server

Tensor network states are used to approximate ground states of local Hamiltonians on a lattice in D spatial dimensions. Different types of tensor network states can be seen to generate different geometries. Matrix product states (MPS) in D=1 dimensions, as well as projected entangled pair states (PEPS) in D>1 dimensions, reproduce the D-dimensional physical geometry of the lattice model; in contrast, the multi-scale entanglement renormalization ansatz (MERA) generates a (D+1)-dimensional holographic geometry. Here we focus on homogeneous tensor networks, where all the tensors in the network are copies of the same tensor, and argue that certain structural properties of the resulting many-body states are preconditioned by the geometry of the tensor network and are therefore largely independent of the choice of variational parameters. Indeed, the asymptotic decay of correlations in homogeneous MPS and MERA for D=1 systems ...

International Nuclear Information System (INIS)

The systems for which the algebra of gauge transformations in the lagrangian formalism is closed, are considered. The hamiltonian BRST charge and the BRST-invariant hamiltonian are found explicitly. Their expansions in powers of the ghost variables contain, in general, an infinite number of terms. (orig.).

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In the present dissertation, a hierarchical multiscale approach for modeling FePt nanoparticles by atomistic computer simulations is developed. By describing the interatomic interactions on different levels of sophistication, various time and length scales can be accessed. Methods range from static quantum-mechanic total-energy calculations of small periodic systems to simulations of whole particles over an extended time by using simple lattice Hamiltonians. By employing these methods, the energetic and thermodynamic stability of non-crystalline multiply twinned FePt nanoparticles is investigated. Subsequently, the thermodynamics of the order-disorder transition in FePt nanoparticles is analyzed, including the influence of particle size, composition and modified surface energies by different chemical surroundings. In order to identify processes that reduce or enhance the rate of transformation from the disordered to the ordered state, the ...

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Hamiltonian light-front dynamics of quantum fields may provide a useful approach to systematic nonperturbative approximations to quantum field theories. The authors investigate inequivalent Hilbert-space representations of the light-front field algebra in which the stability group of the light front is implemented by unitary transformations. The Hilbert space representation of states is generated by the operator algebra from the vacuum state. There is a large class of vacuum states besides the Fock vacuum which meets all the invariance requirements. The light-front Hamiltonian must annihilate the vacuum and have a positive spectrum. Relations are exhibited of the Hamiltonian to the nontrivial vacuum structure. 30 refs.

CERN Document Server

This work provides explicit characterizations and formulae for the minimal polynomials of a wide variety of structured $4\\times 4$ matrices. These include symmetric, Hamiltonian and orthogonal matrices. Applications such as the complete determination of the Jordan structure of skew-Hamiltonian matrices and the computation of the Cayley transform are given. Some new classes of matrices are uncovered, whose behaviour insofar as minimal polynomials are concerned, is remarkably similar to those of skew-Hamiltonian and Hamiltonian matrices. The main technique is the invocation of the associative algebra isomorphism between the tensor product of the quaternions with themselves and the algebra of real $4\\times 4$ matrices.

CERN Document Server

Let A and B be two affinely generating sets of (Z_2)^n. As usual, we denote their Minkowski sum by A+B. How small can A+B be, given the cardinalities of A and B? We give a fairly tight answer to this question. Our bound is attained when both A and B are unions of cosets of a certain subgroup of (Z_2)^n. These cosets are arranged as Hamming balls, the smaller of which has radius 1. By similar methods, we reprove the Freiman-Ruzsa theorem in (Z_2)^n, with an optimal upper bound. Denote by F(K) the maximal spanning constant || / |A|, over all subsets A of (Z_2)^n with doubling constant |A+A| / |A| < K. We explicitly calculate F(K), and in particular show that 4^K / 4K < F(K) (1+o(1)) < 4^K / 2K. This improves the estimate F(K) = poly(K) 4^K, found recently by Green and Tao and by Konyagin.

CERN Document Server

The Rabi Hamiltonian, describing the coupling of a two-level system to a single quantized boson mode, is studied in the Bargmann-Fock representation. The corresponding system of differential equations is transformed into a canonical form in which all regular singularities between zero and infinity have been removed. The canonical or Birkhoff-transformed equations give rise to a two-dimensional eigenvalue problem, involving the energy and a transformational parameter which affects the coupling strength. The known isolated exact solutions of the Rabi Hamiltonian are found to correspond to the uncoupled form of the canonical system.

International Nuclear Information System (INIS)

A numerically feasible method, based on the use of deformed phonons, is developed for the diagonalization of the collective quadrupole Hamiltonian for a system with an odd particle coupled to an anharmonic even core. Examples: the transition from prolate to oblate via #gamma#-unstable shapes and furthermore the hsub(9/2) spectra of the nuclei "1"8"7Ir and "1"9"7Tl. (Auth.).

International Nuclear Information System (INIS)

We present a method for obtaining the quasi-exact solutions of the Rabi Hamiltonian in the framework of the asymptotic iteration method (AIM). The energy eigenvalues, the eigenfunctions and the associated Bender-Dunne orthogonal polynomials are deduced. We show (i) that orthogonal polynomials are generated from the upper limit (i.e., truncation limit) of polynomial solutions deduced from AIM, and (ii) prove to have nonpositive norm. (authors)

CERN Document Server

We apply the permutation symmetry S3 to both charged-lepton and neutrino mass matrices, and suggest a useful symmetry-breaking scheme, in which the flavor symmetry is explicitly broken down via S3 -> Z3 -> nothing in the charged-lepton sector and via S3 -> Z2 -> nothing in the neutrino sector. Such a two-stage breaking scenario is reasonable in the sense that both Z3 and Z2 are the subgroups of S3, while Z3 and Z2 only have a trivial subgroup. In this scenario, we can naturally obtain a relatively large value of the smallest neutrino mixing angle, e.g., theta13 ~ 9 degrees, which is compatible with the recent result from T2K experiment and will be precisely measured in the ongoing Double Chooz and Daya Bay reactor neutrino experiments. Moreover, the maximal atmospheric mixing angle theta23 ~ 45 degrees can also be obtained while the best-fit value of ...

International Nuclear Information System (INIS)

... chemical reactions high temperature lattice parameters microhardness

KoreaScience (Korea)

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CERN Document Server

In this paper we prove the existence of isomorphisms between certain non-commutative algebras that are interesting from representation theoretic perspective and arise as quantizations of certain Poisson algebras. We show that quantizations of Kleinian resolutions obtained by three different constructions are isomorphic to each other. The constructions are via symplectic reflection algebras, quantum Hamiltonian reduction, and W-algebras. Next, we prove that parabolic W-algebras in type A are isomorphic to quantum Hamiltonian reductions associated to quivers of type A. Finally, we show that the symplectic reflection algebras for wreath-products of the symmetric group and a Kleinian group are isomorphic to certain quantum Hamiltonian reductions. Our results involving W-algebras are new, while for those dealing with symplectic reflection algebras we just give new proofs. A key ingredient in our proofs is the study of ...

CERN Document Server

Using some modification of the standard fermion technique we derive factorized formula for spin operator matrix elements (form-factors) between general eigenstates of the Hamiltonian of quantum Ising chain in a transverse field of finite length. The derivation is based on the approach recently used to derive factorized formula for Z_N-spin operator matrix elements between ground eigenstates of the Hamiltonian of the Z_N-symmetric superintegrable chiral Potts quantum chain. The obtained factorized formulas for the matrix elements of Ising chain coincide with the corresponding expressions obtained by the Separation of Variables Method.

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Properties of unique parity states in odd-proton (/sub 77/Ir, /sub 79/Au) and odd-neutron nuclei (/sub 78/Pt) are investigated in the framework of the interacting boson-fermion approximation model. The core (boson)-particle (fermion) interaction is represented by a quadrupole-quadrupole interaction and an exchange term, which takes into account the effects of the Pauli exclusion principle. The even-even core nucleus is described in terms of the IBA-1 hamiltonian. The change in the properties of the corresponding odd-A nuclei can be interpreted in terms of a transition of the core hamiltonian between the O(6) and SU(3) limiting cases.

CERN Document Server

The Belinskii, Khalatnikov and Lifshitz conjecture \\cite{bkl1} posits that on approach to a space-like singularity in general relativity the dynamics are well approximated by `ignoring spatial derivatives in favor of time derivatives.' In \\cite{ahs1} we examined this idea from within a Hamiltonian framework and provided a new formulation of the conjecture in terms of variables well suited to loop quantum gravity. We now present the details of the analytical part of that investigation. While our motivation came from quantum considerations, thanks to some of its new features, our formulation should be useful also for future analytical and numerical investigations within general relativity.

UK PubMed Central (United Kingdom)

Spin-lattice relaxation rates of protein and water protons in dry and hydrated immobilized bovine serum albumin were measured in the range of ¹H Larmor frequency from 10 kHz to 30...Full Text Available

UK PubMed Central (United Kingdom)

PurposeTo report the clinical, ophthalmic, and genetic characteristics for lattice corneal dystrophy type I (LCDI) in a Chilean family.MethodsSix...Full Text Available

Science.gov (United States)

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Energy Technology Data Exchange (ETDEWEB)

Interpenetrated lattices (IPL) are combinations of reticulated polymers linked together by permanent crisscross. This structure is well-adapted to combined highly incompatible pairs of polymers. The in-situ sequential method has been applied successfully to the synthesis of ethylene poly-oxides / poly-siloxanes IPLs. The results concerning the preparation of such lattices and their behaviour as solid polymer electrolytes are presented in this paper. (J.S.) 24 refs.

DEFF Research Database (Denmark)

We suggest and study designed defects in an otherwise periodic potential modulation of a two-dimensional electron gas as an alternative approach to electron spin based quantum information processing in the solid-state using conventional gate-defined quantum dots. We calculate the band structure and density of states for a periodic potential modulation, referred to as an antidot lattice, and find that localized states appear, when designed defects are introduced in the lattice. Such defect states may form the building blocks for quantum computing in a large antidot lattice, allowing for coherent electron transport between distant defect states in the lattice, and for a tunnel coupling of neighboring defect states with corresponding electrostatically controllable exchange coupling between different electron spins.

Energy Technology Data Exchange (ETDEWEB)

A microscopic description of an open system is generally expressed by the Hamiltonian of the form: H{sub tot} = H{sub sys} + H{sub environ} + H{sub sys-environ}. We developed a microscopic theory of entropy and derived a general formula, so-called 'entropy-Hamiltonian relation' (EHR), that connects the entropy of the system to the interaction Hamiltonian represented by H{sub sys-environ} for a nonequilibrium open quantum system. To derive the EHR formula, we mapped the open quantum system to the representation space of the Liouville-space formulation or thermo field dynamics (TFD), and thus worked on the representation space L := H x H-tilde, where H denotes the ordinary Hilbert space while H-tilde the tilde Hilbert space conjugates to H. We show that the natural transformation (mapping) of nonequilibrium open quantum systems is accomplished within the theoretical structure of TFD. By using the obtained ...

CERN Document Server

We iterate Manolescu's unoriented skein exact triangle in knot Floer homology with coefficients in the fraction field of the group ring (Z/2Z)[Z]. The result is a spectral sequence which converges to a stabilized version of delta-graded knot Floer homology. The (E_2,d_2) page of this spectral sequence is an algorithmically computable chain complex expressed in terms of spanning trees, and we show that there are no higher differentials. This gives the first combinatorial spanning tree model for knot Floer homology.

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Our investigation concerns the class of Josephson-like systems, sharing the same nonlinear Hamiltonian. Among the latter a Josephson junction with an external biasing circuit is considered. We diagonalize the fully nonlinear Hamiltonian (in the superconductive regime of the junction) in the Fock space of the TBHA (two-boson Heisenberg algebra) and prove that such algebra leads quite naturally to the theoretical realization of codewords and logical operators: the codewords are defined as the even and odd coherent states of the TBHA, while the logical operators are expressed in terms of operators in the same algebra. Our theoretical construction corresponds to a continuous variable quantum computation scheme; the continuous variables are identified in terms of the physical operators of the junction. The link between this scheme and the technique of fermionization of bosonic systems is also discussed.

CERN Document Server

We review various field theory approaches to the description of neutrino oscillations in vacuum and external fields. First we discuss a relativistic quantum mechanics based approach which involves the temporal evolution of massive neutrinos. To describe the dynamics of the neutrinos system we use exact solutions of wave equations in presence of an external field. It allows one to exactly take into account both the characteristics of neutrinos and the properties of an external field. In particular, we examine flavor oscillations an vacuum and in background matter as well as spin flavor oscillations in matter under the influence of an external electromagnetic field. Moreover we consider the situation of hypothetical nonstandard neutrino interactions with background fermions. In the case of ultrarelativistic particles we reproduce an effective Hamiltonian which is used in the standard quantum mechanical approach for the description of neutrino oscillations. The ...

International Nuclear Information System (INIS)

The dynamical effects of spatially homogeneous electromagnetic fields on anisotropic Bianchi type-IX models are studied. The Lagrangians and Hamiltonians affecting the evolution of anisotropy (including the gravitational and electromagnetic potentials) are obtained for very general spatially homogeneous metrics by means of the Arnowitt-Deser-Misner Hamiltonian formalism. For models having diagonal metrics an exact solution for the electromagnetic fields is obtained. This solution allows a qualitative solution for the gravitational variables. The total solution is similar to that of Brill. For Bianchi type-IX models having symmetric and general metrics, a discussion of the qualitative behavior of the universe point under the influence of the above potentials is given. In particular, it is shown that in some cases the presence of the electromagnetic potential inhibits some types of singularities.

International Nuclear Information System (INIS)

The loop quantum cosmology 'improved dynamics' of the Bianchi type IX model are studied. The action of the Hamiltonian constraint operator is obtained via techniques developed for the Bianchi type I and type II models, no new input is required. It is shown that the big bang and big crunch singularities are resolved by quantum gravity effects. We also present effective equations which provide quantum geometry corrections to the classical equations of motion.

Energy Technology Data Exchange (ETDEWEB)

It is shown that a sufficient condition for a model describing the motion of a particle on a coset space to possess a Fundamental Poisson bracket Relation, and consequently charges in involution, is that it must be a symmetric space. The conditions, a Hamiltonian, or any functions of the canonical variables, has to satisfy in order to commute with these charges, are studied. It is show that, for the case of the noncompact symmetric spaces, these conditions lead to an algebraic structure which lays an important role in the construction of conserved quantities.

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Calculations of total and angle-differential excitation cross sections for the electron impact excitation of lithium-like iron were performed with the R-matrix formulation. The alignments of the excited states 1s{sup 2}np {sup 2}P{sub 3/2} are also presented for n=3 and 4 along with the angular photon distribution from these states to the ground state. Relativistic effects were included in the present calculations by the Breit-Pauli Hamiltonian.

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We show that the chaotic dynamical behaviour displayed by diagonal Bianchi type IX metrics in general relativity does not occur on approach to the singularity in higher-order lagrangian theories of gravity. However, chaotic behaviour does occur in the more general non-diagonal type IX models in these theories. An interpretation of these results in terms of the hamiltonian potential picture of the type IX evolution is given. (orig.).

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Implementation of quantum logical gates for multilevel systems is demonstrated through decoherence control under the quantum adiabatic method using simple phase modulated laser pulses. We make use of selective population inversion and Hamiltonian evolution with time to achieve such goals robustly instead of the standard unitary transformation language. (letter to the editor)

International Nuclear Information System (INIS)

In CsCdBr_3, Tm"3"+ substitutes for Cd"2"+. It predominately forms symmetric dimer centers and single-ion centers, both of trigonal symmetry. The energy level schemes of both centers were determined by EPR and site-selective laser spectroscopy. To describe the spectra term dependent crystal-field parameters were deduced on the basis of a microscopic model taking into account the local lattice deformation induced by the impurity centers and the quasi-resonant virtual scattering of intrinsic lattice excitations by the Tm"3"+ ions. (orig.)

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We survey results in lattice quantum chromodynamics from groups in the USQCD Collaboration. The main focus is on physics, but many aspects of the discussion are aimed at an audience of computational physicists.

CERN Document Server

We study the ground state of an ideal coupled two-component gas of ultracold atoms in a one dimensional optical lattice, either bosons or fermions. Due to the internal two-level structure of the atoms, the Brillouin zone is twice as large as imposed by the periodicity of the lattice potential. This is reflected in the Bloch dispersion curves, where the energy bands regularly possess several local minima. As a consequence, when the system parameters are tuned across a resonance condition, a non-zero temperature topological first order phase transition occurs which arises from an interplay between initernal and kinetic atomic energies. It is shown that these phenomena are also captured for two and three dimensional optical lattices.

CERN Document Server

In this paper we establish a fundamental structural result for formal series encoding the total non-archimedean masses of quadratic lattices of varying determinant squareclasses, but with fixed rank $n$ and signature over any fixed number field. We conclude with some local computations for $n=2$, and use these to derive an analytic class number formula for CM extensions.

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After reviewing some of the mathematical foundations and numerical difficulties facing lattice QCD, I review the status of several calculations relevant to experimental high-energy physics. The topics considered are moments of structure functions, which may prove relevant to search for new phenomena at the LHC, and several aspects of flavor physics, which are relevant to understanding CP and flavor violation.

International Nuclear Information System (INIS)

The structural instability in high temperature A-15 superconductors is examined from a phenomenological, Landau theoretic point of view, based on the picture of an electronically driven lattice instability. emphasis is given to lattice properties--in particular, the extended softening of phonons in k-pace and phonon linewidth. Implications of the extended softening on the microscopic picture of the transition, and the interplay between structural and superconducting instabilities in the A-15 compounds are discussed.

CERN Document Server

Two crucial properties of QCD, confinement and chiral symmetry breaking, cannot be understand within the context of conventional Feynman perturbation theory. Non-perturbative phenomena enter the theory in a fundamental way at both the classical and quantum level. Over they years a coherent qualitative picture of the interplay between chiral symmetry, quantum mechanical anomalies, and the lattice has emerged and is reviewed here.

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The correlation between baryon number and strangeness elucidates the nature of strongly interacting matter. This diagnostic can be extracted theoretically from lattice QCD calculations and experimentally from event-by-event fluctuations. The analysis of present lattice results above the critical temperature severely limits the presence of q{bar q} bound states, thus supporting a picture of independent (quasi)quarks. Details may be found in [1].

Energy Technology Data Exchange (ETDEWEB)

We revisited the quantum Zeno paradox, which claims that a generic quantum system prepared in a state which is not an eigenstate of the Hamiltonian operator and is continuously observed never decays. Since any perfectly isolated quantum system always interact with a vacuum field, we analyze the possibility of using this fact to solve the above mentioned conceptual problem. Therefore we discuss a two-level system or qubit-Bose field interaction Hamiltonians. We consider the quantum dynamics of this two-level system, prepared in the excited state interacting with a Bose field prepared in the Poincare invariant vacuum state. Using a first-order approximation in time-dependent perturbation theory, we evaluate the probability of spontaneous decay of the two-level system driven by the vacuum field. This probability is evaluated for a finite time interval. Using the standard argument to obtain the quantum Zeno paradox, we consider N measurements where ...

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Predictions for E2, M1, and M4 transition rates and moments, together with examples of transition-charge densities, are presented for states of N = 50 nuclei. These predictions are based on one-body spectroscopic amplitudes obtained from the wave functions of a new N = 50 shell-model calculation which incorporates the 0f/sub 5/2/, 1p/sub 3/2/, 1p/sub 1/2/, and 0g/sub 9/2/ single-particle orbits and an empirically determined effective Hamiltonian for this space. The predictions are compared with experimental data, first in order to evaluate how well the model space, as applied by this Hamiltonian, accounts for observations, and then to assess the importance of configurations excluded from the model space and to determine the values of the operator renormalizations (effective charges and effective g factors) which optimally map the theoretical results onto the corresponding experimental values.

CERN Document Server

Given an invariant gauge potential and a periodic scalar potential \\tilde{V} on a Riemannian manifold \\tilde{M} with a discrete symmetry group \\Gamma, consider a \\Gamma-periodic quantum Hamiltonian \\tilde{H}=-\\tilde{\\Delta}_{B}+\\tilde{V} where \\tilde{\\Delta}_{B} is the Bochner Laplacian. Both the gauge group and the symmetry group \\Gamma can be noncommutative, and the gauge field need not vanish. On the other hand, \\Gamma is supposed to be of type I. To any unitary representation \\Lambda of \\Gamma one relates a Hamiltonian H^{\\Lambda}=-\\Delta_{B}^{\\Lambda}+V on M=\\tilde{M}/\\Gamma where V is the projection of \\tilde{V} to M. We describe a construction of the Bloch decomposition of \\tilde{H} into a direct integral whose components are H^{\\Lambda}, with \\Lambda running over the dual space \\hat{\\Gamma}. The evolution operator and the resolvent decompose correspondingly. Conversely, given \\Lambda\\in\\hat{\\Gamma}, one can ...

Energy Technology Data Exchange (ETDEWEB)

A phenomenological simulation was carried out for 41 experimental crystal-field (CF) levels within the {sup 4}I{sub 9/2-15/2}, {sup 4}F{sub 3/2-9/2}, {sup 4}S{sub 3/2} and {sup 2}H{sub 9/2} J manifolds, including the available infrared (IR) data up to {approx}15 000 cm{sup -1} for the Nd{sup 3+} ions in the Nd{sub 2}CuO{sub 4} single crystals. The CF Hamiltonian for the tetragonal C{sub 4v} symmetry was diagonalized together with the free-ion Hamiltonian in a basis that spans the entire 4f{sup 3} configuration. A rms error of 9 cm{sup -1} between the calculated and experimental energy level schemes was obtained. A comparison of the spectra in the visible region between the insulating Nd{sub 2}CuO{sub 4} and the metallic Nd{sub 2-x}Ce{sub x}CuO{sub 4}, allowed identifying the absorption bands associated with the development of the charge-doping induced local structural distortions in the superconducting regime.

CERN Document Server

The Hamiltonian structure of the Classical Heisenberg Spin Chain (CHSC) has been extensively studied by a number of authors. First of all, we mention Faddeev and Thaktadjan that, in their fundamental monograph "Hamiltonian Methods in the Theory of Soliton", elucidate the main properties of both continuous and (semi-)discrete models. An analysis of the su(2) continuous model in the context of the reduction theory for Poisson Nijenhuis manifolds was performed by Magri et al in1985, while through a similar approach a few years later Ragnisco and Santini analyzed the discrete case. In the meantime, among the condensed matter community there was some renewed interest on Potts models, sort of generalized spin chains where the relevant field variable is allowed to take values at the $N^{th}$ roots of unity. The proper theoretical setting for such models, at least at the classical level, would have been the extension to NxN matrices of the approach ...

Energy Technology Data Exchange (ETDEWEB)

New partial differential equations (PDEs) for the full order weak schemes of the Langevin simulations are formulated. They are solved recursively in full order series solutions with respect to {radical}(t) (the full order weak Taylor schemes). Arbitrariness involved in the solutions is analyzed and clarified in detail. Specific solutions within some orders are presented as examples of the weak Taylor schemes. These PDEs and their solutions will serve for further developments of efficient higher order Runge-Kutta-like schemes. The similar formulation is possible for the imaginary time Hamiltonian evolution kernels as well. (orig.). 9 refs.

Energy Technology Data Exchange (ETDEWEB)

A variational principle is proposed for defining that canonical transformation, continuously connected with the identity transformation, which minimizes the residual, coordinate-dependent part of the new Hamiltonian. The principle is based on minimization of the mean-square generalized force. The transformation reduces to the action-angle transformation in that part of the phase space of an integrable system where the orbit topology is that of the unperturbed system, or on primary KAM surfaces. General arguments in favor of this definition are given, based on Galilean invariance, decay of the Fourier spectrum, and its ability to include external fields or inhomogeneous systems. The optimal oscillation-center transformation for the physical pendulum, or particle in a sinusoidal potential, is constructed.

Energy Technology Data Exchange (ETDEWEB)

This paper presents a new algorithm for the optimal long-range generation planning for a thermal system with pumped-storage plants. The algorithm is based upon the analytical production costing model developed under the assumption of Gaussian probabilistic distribution of random load fluctuations and plant outages. The optimization problem consists of the master problem to determine the annual investment, and the pumped-storage subproblem to determine the optimal pumped-storage operation. The master problem is formulated as a Hamiltonian minimization problem, and the pumped-storage subproblem is solved using the concept of peak-shaving operation on the original load curve.

International Nuclear Information System (INIS)

As recently shown the conformal affine Toda models can be obtained via hamiltonian reduction from a two-loop Kac-Moody algebra. In this paper we propose a systematic procedure to analyze the higher spin symmetries of the conformal affine Toda models. The method is based on an explicit construction of infinite towers of extended conformal symmetry generators. Two fundamental building blocks of this construction are special spin-one and -two primary fields characterizing the conformal structure of these models. The connection to the algebra of area preserving diffeomorphisms on a two-manifold (w_#infinity# algebra) is established. (orig.).

British Library Electronic Table of Contents (United Kingdom)

We discuss the feasibility of a hierarchical protocol whereby the description and prediction of adsorbed fluids in confined systems at the mesoscopic scale is achieved by use of interface potentials that are obtained from raw molecular simulation data. Starting from a microscopic description of a fluid?s interface on a flat substrate, we attempt to extract the minimum information that is required in order to predict the behavior of that fluid at larger length scales from coarse grained surface Hamiltonians. A critical assessment of this procedure hinges on controversial aspects of wetting behavior and more generally on the meaning of metastability and instability of thermodynamic systems.

Energy Technology Data Exchange (ETDEWEB)

The diagonal and symmetric Bianchi type IX models are coupled to a homogeneous spinor field. An action for the combined fields is constructed, where the orthonormal basis used is given explicitly in terms of the metric. This allows one to vary the action with respect to the metric and the spinor fields only. Next, a Hamiltonian formulation is given, and a qualitative solution for the problem is presented. We also show that the k = +1 FRW (Friedmann--Robertson--Walker) model is not compatible with a homogeneous spinor field, while the more complicated models are.

International Nuclear Information System (INIS)

We study the relation between size and star formation activity in a complete sample of 225 massive (M_* > 5 x 10"1"0 M _s_u_n) galaxies at 1.5 < z < 2.5, selected from the FIREWORKS UV-IR catalog of the CDFS. Based on stellar population synthesis model fits to the observed rest-frame UV-NIR spectral energy distributions, and independent MIPS 24 #mu#m observations, 65% of the galaxies are actively forming stars, while 35% are quiescent. Using sizes derived from two-dimensional surface brightness profile fits to high-resolution (FWHM_P_S_F #approx# 0.''45) ground-based ISAAC data, we confirm and improve the significance of the relation between star formation activity and compactness found in previous studies, using a large, complete mass-limited sample. At z #approx# 2, massive quiescent galaxies are significantly smaller than massive star-forming galaxies, and a median factor of 0.34 #+-# 0.02 smaller than galaxies of similar mass in ...

International Nuclear Information System (INIS)

We outline basic principles of a canonical formalism for the Nambu mechanics - a generalization of Hamiltonian mechanics proposed by Yoichiro Nambu in 1973. It is based on the notion of a Nambu bracket, which generalizes the Poisson bracket - a 'binary'' operation on classical observables on the phase space - to the 'multiple' operation of higher order n#>=#3. Nambu dynamics is described by the phase flow given by Nambu-Hamilton equations of motion - a system of ODE's which involves n-1 'Hamiltonians'. We introduce the fundamental identity for the Nambu bracket - a generalization of the Jacobi identity - as a consistency condition for the dynamics. We show that Nambu bracket structure defines a hierarchy of infinite families of 'subordinated' structures of lower order, including Poisson bracket structure, which satisfy certain matching conditions. The notion of Nambu bracket enables us to define Nambu-Poisson manifolds - phase spaces for the ...

CERN Document Server

We study the finite temperature electroweak transition with non-perturbative lattice Monte Carlo simulations. We find that it is of first order, at least for Higgs masses up to 80 GeV. The critical temperature of the phase transition is found to be smaller than that determined by a 2-loop renormalization group improved effective potential. The jump of the order parameter at the critical temperature is considerably larger than the perturbative value. By comparing lattice data and perturbation theory, we demonstrate that the latter, for the computation of the vacuum expectation value of the Higgs field v(T) in the broken phase at given temperature, converges quite well, provided v(T)/T>1. An upper bound on the Higgs mass necessary for electroweak baryogenesis in the light of the lattice data is briefly discussed.

International Nuclear Information System (INIS)

Luminescence properties of SiAlON phosphors codoped with Ca and Yb were investigated by changing the host lattice composition. These modifications of the host lattice were obtained by replacing Si-N bonds by Al-N and Al-O bonds. Their photoluminescence (PL) and cathodoluminescence (CL) properties were measured and compared with each other. PL allows observing the influence of the host lattice modifications by measuring wider areas. CL can excite all luminescent centers, in particular the UV luminescence centers, even if their amount is small. Thus, two additional peaks in the ultraviolet and infrared regions were observed in CL, which is not observed by PL. This work suggests that the combination of PL and CL gives more understanding about the luminescence of SiAlON phosphors, in particular the role of the secondary phases on their properties.

Energy Technology Data Exchange (ETDEWEB)

We consider low-energy nucleons at next-to-next-to-leading order in lattice chiral effective field theory. Three-body interactions first appear at this order, and we discuss several methods for determining three-body interaction coefficients on the lattice. We compute the energy of the triton and low-energy neutron-deuteron scattering phase shifts in the spin-doublet and spin-quartet channels using Luescher's finite-volume method. In the four-nucleon system we calculate the energy of the {alpha}-particle using auxiliary fields and projection Monte Carlo. (orig.)

International Nuclear Information System (INIS)

The evolution of intergranular lattice strains in a textured, forged bar (Bar) sample of the #alpha# - #beta# titanium alloy Ti-6Al-4V has been characterised using in situ X-ray diffraction. A two-phase elastic-plastic self-consistent (EPSC) model has been developed to rationalise the results. Of the orientations analysed, it is found that the #left brace#2 0 0#right brace# #beta# orientation is the most compliant and that load partitions to this orientation during plasticity. The results from the bar material have then been used to predict the response of unidirectionally rolled plate (UD) Ti-6Al-4V. It is predicted that the residual lattice strains in the #left brace#101-bar0#right brace# and #left brace#112-bar0#right brace# orientations will be significantly higher in the UD material.

DEFF Research Database (Denmark)

We propose a new physical implementation of spin qubits for quantum information processing, namely defect states in antidot lattices defined in the two-dimensional electron gas (2DEG) at a semiconductor heterostructure. Calculations of the band structure of a periodic antidot lattice are presented. A point defect is created by removing a single antidot, and calculations show that localized states form within the defect, with an energy structure which is robust against thermal dephasing. The exchange coupling between two electrons residing in two tunnel-coupled defect states is calculated numerically. We find results reminiscent of double quantum dot structures, indicating that the suggested structure is a feasible physical implementation of spin qubits.

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Experimental data on A-15 binary phases (the lattice parameter dependence on composition, phase diagrams, etc.) have been considered and the so-called ''compounds with A-15 structure'' are shown to be solid solutions of element substitution in the structure of A-15 type. Values of lattice parameter and atomic volume of A-15 modifications for 21 elements have been obtained (for Zr, W, Nb, Mo, V in particular). There has been shown the possibility of calculation of atomic volumes and lattice parameters of A-15 binary phases at the lack of direct experimental data. The essential role of atomic volume relations of different phases has been observed for the estimation of stability conditions of A-15 phase.

CERN Document Server

In this Ph.D. thesis a model for graphene in presence of quantized electromagnetic interactions is introduced. The zero and low temperature properties of the model are studied using rigorous renormalization group methods and lattice Ward identities. In particular, it is shown that, at all orders in renormalized perturbation theory, the Schwinger functions and the response functions decay with interaction dependent anomalous exponents. Regarding the 2-point Schwinger function, the wave function renormalization diverges in the infrared limit, while the effective Fermi velocity flows to the speed of light. Concerning the response functions, those associated to a Kekul\\'e distortion of the honeycomb lattice and to a charge density wave instability are enhanced by the electromagnetic electron-electron interactions (their scaling in real space is depressed), while the lowest order correction to the scaling exponent of the density-density response ...

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I present results for the mass spectrum of excited baryons and pentaquarks using overlap fermions and Bayesian curve-fitting method; and magnetic moments and polarizabilities for a variety of hadrons in the background field method.

CERN Document Server

We calculate the light `glueball' mass spectrum in N_f=2 lattice QCD using a fermion action that is non--perturbatively O(a) improved. We work at lattice spacings a~0.1 fm and with quark masses that range down to about half the strange quark mass. We find the statistical errors to be moderate and under control on relatively small ensembles. We compare our mass spectrum to that of quenched QCD at the same value of a. Whilst the tensor mass is the same (within errors), the scalar mass is significantly lighter in the dynamical lattice theory, by a factor of ~0.84 +/- 0.03. We discuss what the observed m_q dependence of this suppression tells us about the dynamics of glueballs in QCD. We also calculate the masses of flux tubes that wind around the spatial torus, and extract the string tension from these. As we decrease the quark mass we see a small but growing vacuum expectation value for the corresponding flux tube operators. ...

CERN Document Server

Three-flavor lattice QCD simulations and two-loop perturbation theory are used to make the most precise determination to date of the strange-, up-, and down-quark masses, $m_s$, $m_u$, and $m_d$, respectively. Perturbative matching is required in order to connect the lattice-regularized bare- quark masses to the masses as defined in the \\msbar scheme, and this is done here for the first time at next-to-next-to leading (or two-loop) order. The bare-quark masses required as input come from simulations by the MILC collaboration of a highly-efficient formalism (using so-called ``staggered'' quarks), with three flavors of light quarks in the Dirac sea; these simulations were previously analyzed in a joint study by the HPQCD and MILC collaborations, using degenerate $u$ and $d$ quarks, with masses as low as $m_s/8$, and two values of the lattice spacing, with chiral extrapolation/interpolation to the physical masses. With the ...

International Nuclear Information System (INIS)

A brief review is given of the nature of lattice instabilities in high-T/sub c/ superconductors. The Frohlich instability in A-15 compounds is indicated to be a microdomain which acts as an embryo for the Martensitic transformations in these compounds.

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The longitudinal and transverse dynamics of a heavy ion fusion beam during the drift compression and final focus phase is studied. A lattice design with four time-dependent magnets is described that focuses the entire beam pulse onto a single focal point with the same spot size.

International Nuclear Information System (INIS)

Calculations, drawing principally on developments at AERE Harwell, of the relaxation about lattice defects are reviewed with emphasis on the techniques required for such calculations. The principles of defect modelling are outlined and various programs developed for defect simulations are discussed. Particular calculations for metals, ionic crystals and oxides, are considered. (UK).

UK PubMed Central (United Kingdom)

Brain, Mind and Consciousness are the research concerns of psychiatrists, psychologists, neurologists, cognitive neuroscientists and philosophers. All of them are working in different and important...Full Text Available

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A novel direct calculation method of response matrices on heterogeneous lattices by using the Monte Carlo method is proposed. These direct response matrices (DRMs) can be used in core calculations in place of the conventional homogenized lattice constants. The DRMs are formalized by four sub response matrices (sub-RMs) in order to respond to a core eigenvalue, k; thus the DRMs can be re-evaluated on each outer iteration in the core calculations. The sub-RMs can be evaluated by analyzing each neutron's trajectory from ordinary lattice calculations with the Monte Carlo code. Since these sub-RMs are calculated directly under an actual complex assembly geometry, i,e., without a homogenization process, intra-assembly heterogeneous effects can be reflected on global partial current balance calculations. With using two of the sub-RMs, which deal with neutron production probabilities for each fuel pin, and the obtained ...

International Nuclear Information System (INIS)

The existence of characteristic longitudinal optical and transverse optical phonons of cubic ZnO in ZnO nano-tetrapods is determined by Raman spectroscopy and first-principles calculations. Stacking sequence change at the boundary of the core and legs is also identified by high-resolution transmission electron microscopy. Based on this experimental and theoretical evidence, we demonstrate that the lattice structure of ZnO nano-tetrapods is hierarchical with a zinc blende core connecting to four wurtzite legs. Furthermore, we establish the atomic configuration and propose a formation mechanism induced by Laplace pressure in the initial growth stage of ZnO nano-tetrapods.

British Library Electronic Table of Contents (United Kingdom)

Schiff-base condensation of a equimolar proportion of diacetyl-monoxime monohydrazone and 1-methylimidazole-2-carboxaldehyde in methanol gives rise to the imidazole azine, 3-(1-methylimidazol-2-yl)methylenehydrazonobutan-2-one oxime(HL). Reaction of 1:1 stoichiometric proportion of HL with copper(II)perchlorate hexahydrate in methanol yields a dimeric oximato bridged copper compound, [Cu2L2(H2O)2](ClO4)2 (1). The compound is characterized by C, H and N analyses, FT-IR, ESI?MS, conductivity measurement, UV?Vis spectra and X-ray single crystal diffraction. The title compound (1) crystallizes in the monoclinic space group P21/c with a?=?6.8533 (8), b?=?18.413 (2), c?=?11.7399 (14) ?, ??=?93.685 (2)?, V?=?1478.4 (3) ?3 and Z?=?2. The geometry around each copper center is distorted square pyram...

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The influence of Pd-Ni substitution on the formation of magnetic phases in the tetragonal U(Ni{sub 1-x}, Pd{sub x}){sub 2}Si{sub 2} system and the concentration magnetic phase diagram are presented. A series of different substitutions was prepared and detailed studies by powder neutron diffraction were performed for x=0.25, 0.5 and 0.75. All compounds order antiferromagnetically and form ferromagnetic basal planes stacked along the c axis (q=(0,0,q{sub z}) propagation). The ground-state phase (AF3) of UNi{sub 2}Si{sub 2} is an uncompensated AF structure (++- stacking (q{sub z}=2/3)). In UPd{sub 2}Si{sub 2} the ground-state phase corresponds to the simple AF structure AF2 (+-+-(q{sub z}=1)). In solid solutions, no traces of the AF3 phase were found for x=0.25 and the ground-state powder patterns correspond to AF2 for x{>=}0.25. (orig.)

CERN Document Server

We present deep two-dimensional spectra of 22 candidate and confirmed Lyman break galaxies (LBGs) at redshifts 2z=2.424. The morphologies and kinematics of the close pairs and multiple knot sources in our sample are generally inconsistent with galaxy formation scenarios postulating that LBGs occur only at the bottom of the potential wells of massive host halos; rather, they support ``collisional starburst'' ...

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The paper presents the preparation, X-ray powder diffraction data as well as some magnetic and spectroscopic properties of a new uranium(III) complex bromide of the formula NH{sub 4}UBr{sub 4}.1.5CH{sub 3}CN.6H{sub 2}O. The compound crystallizes in the monoclinic system with a=11.877 A, b=6.385 A, c=6.815 A, {beta}=101.29deg and Z=2. In the 60-240 K range it follows the Curie-Weiss law with {theta}=-37.24 K and {mu}{sub eff}=3.20 B.M. The IR and UV-VIS absorption spectra were recorded in the 80-4000 cm{sup -1} and 4000-26000 cm{sup -1} spectral ranges respectively. Thermal decomposition at a non-static high vacuum enabled the conversion of the compound into pure and anhydrous UBr{sub 3}. (orig.).

CERN Document Server

We directly measure the evolution of the intergalactic Lyman-alpha effective optical depth, tau_eff, over the redshift range 2 is <1% at z=2, 4% at z=3, and 12% at z=4. Previous measurements of tau_eff at 3

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The Kadomtsev-Petviashvili equation describes nonlinear dispersive waves which travel mainly in one direction, generalizing the Korteweg-de Vries equation for purely uni-directional waves. In this Letter we derive an improved KP-equation that has exact dispersion in the main propagation direction and that is accurate in second order of the wave height. Moreover, different from the KP-equation, this new equation is also valid for waves on deep water. These properties are inherited from the AB-equation (E. van Groesen, Andonowati, 2007 ) which is the unidirectional improvement of the KdV equation. The derivation of the equation uses the variational formulation of surface water waves, and inherits the basic Hamiltonian structure.

British Library Electronic Table of Contents (United Kingdom)

The 6n-dimensional phase space of the planetary (1+n)-body problem (after the classical reduction of the total linear momentum) is shown to be foliated by symplectic leaves of dimension (6n?2) invariant for the planetary Hamiltonian Formula Not Shown . Such foliation is described by means of a new global set of Darboux coordinates related to a symplectic (partial) reduction of rotations. On each symplectic leaf Formula Not Shown has the same form and it is shown to preserve classical symmetries. Further sets of Darboux coordinates may be introduced on the symplectic leaves so as to achieve a complete (total) reduction of rotations. Next, by explicit computations, it is shown that, in the reduced settings, certain degeneracies are removed. In particular, full torsion is checked both in the ...

CERN Document Server

We prove an analogue of the MacMahon Master Theorem for the right quantum superalgebras. In particular, we obtain a new and simple proof of this theorem for the right quantum algebras. In the super case the theorem is then used to construct higher order Sugawara operators for the affine Lie superalgebra \\hat gl(m|n) in an explicit form. The operators are elements of a completed universal enveloping algebra of \\hat gl(m|n) at the critical level. They occur as the coefficients in the expansion of a noncommutative Berezinian and as the traces of powers of generator matrices. The same construction yields higher Hamiltonians for the Gaudin model associated with the Lie superalgebra gl(m|n).

CERN Document Server

A generalized relativistic harmonic oscillator for spin 1/2 particles is studied. The Dirac Hamiltonian contains a scalar, $S$, and a vector, $V$, quadratic potentials in the radial coordinate, as well as a tensor potential, $U$, linear in $r$. Setting either or both combinations $\\Sigma=S+V$ and $% \\Delta=V-S$ to zero, analytical solutions for bound states of the corresponding Dirac equations are found. The eigenenergies and wave functions are presented and particular cases are discussed, devoting a special attention to the non-relativistic limit and the case $\\Sigma=0$, for which pseudospin symmetry is exact. We also show that the case $U=\\Delta=0$ is the most natural generalization of the non-relativistic harmonic oscillator. The radial node structure of the Dirac spinor is studied for several combinations of harmonic oscillator potentials, and that study allows us to explain why nuclear intruder levels cannot be described in the framework of the ...

International Nuclear Information System (INIS)

The dynamical decoupling (DD) aims at suppressing the decoherence by means of coherent control pulses. Even if devices exist where instantaneous pulses are an adequate approximation, experimentally a finite duration #tau#_p and a bounded amplitude are inevitable. They are the cause of additional errors which can be corrected by designing the pulse shape appropriately. The new pulse has the overall effect of an ideal, instantaneous pulse with the advantage of decoupling the spin (or qubit) from the bath up to the order O(#tau#_p"3). The limitation of the no-go theorem for #pi# pulses is avoided. Hence, the Uhrig sequence (UDD), originally thought for ideal #pi# pulses, works also for bounded control Hamiltonians. Numerical simulations show that concatenated sequences of real pulses are effective against general decoherence.

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We consider the dynamics towards the initial singularity of Bianchi type IX vacuum and orthogonal perfect fluid models with a linear equation of state. Surprisingly few facts are known about the 'Mixmaster' dynamics of these models, while at the same time most of the commonly held beliefs are rather vague. In this paper, we use Mixmaster facts as a base to build an infrastructure that makes it possible to sharpen the main Mixmaster beliefs. We formulate explicit conjectures concerning (i) the past asymptotic states of type IX solutions and (ii) the relevance of the Mixmaster/Kasner map for generic past asymptotic dynamics. The evidence for the conjectures is based on a study of the stochastic properties of this map in conjunction with dynamical systems techniques. We use a dynamical systems formulation, since this approach has so far been the only successful path to obtain theorems, but we also make comparisons with the 'metric' and ...

International Nuclear Information System (INIS)

The purpose of this work is the elucidation of the f"n electronic structure of neutral mono base adducts derived from tris(#eta#"5-cyclopentadienyl)-lanthanide(III) (Cp_2Ln). The available data on related compounds like bis adducts and anionic mono adducts of the same moiety was also analyzed. The first aim was to derive the experimental crystal field splitting pattern from optical, magnetooptical and magnetochemical measurements and to reproduce it using an empirical Hamiltonian operator. The eigenvalues and eigenvectors obtained in this manner were used for a quantitative interpretation of the magnetochemical, EPR- and NMR-spectroscopic properties. For the latter subject it was necessary to develop an own procedure for the NMR analysis of paramagnetic compounds. This method is based on factor analysis and as demonstrated in the second part of this work, is clearly superior to all previous procedures. (orig.).

International Nuclear Information System (INIS)

The band crossing in "1"3"2Ba has been investigated by using the interacting boson model. A broken neutron pair has been coupled to a collective boson core. The boson-fermion interaction hamiltonian contains terms which can transform a boson into a pair of quasiparticles and vice versa. The parameters were partly determined by fitting the collective states of "1"3"2","1"3"4Ba and the yrast states of "1"3"1Ba. The energy backbending has been satisfactorily reproduced. Good agreement of the electromagnetic moments has been reached. The structure of the wave functions has been discussed. (author)

CERN Document Server

Amplitudes for fermion-fermion, boson-boson and fermion-boson interactions are calculated in the second order of perturbation theory in the Lobachevsky space. An essential ingredient of the model is the Weinberg's 2(2j+1)-component formalism for describing a particle of spin j. The boson-boson amplitude is then compared with the two-fermion amplitude obtained long ago by Skachkov on the basis of the Hamiltonian formulation of quantum field theory on the mass hyperboloid, p_0^2 - p^2=M^2, proposed by Kadyshevsky. The parametrization of the amplitudes by means of the momentum transfer in the Lobachevsky space leads to same spin structures in the expressions of T-matrices for the fermion case and the boson case. However, certain differences are found. Possible physical applications are discussed.

International Nuclear Information System (INIS)

The absorption spectra of an unoriented single crystal of the title compound (1) have been measured at room and at low temperatures. Assuming a similar sequence of crystal field (CF) levels as for the previously analyzed Nd[N(SiMe_3)_2]_3 (2) a truncated CF splitting pattern is derived from the spectra obtained. The parameters of an empirical Hamiltonian are fitted to the energies of 71 levels to give an r.m.s. deviation of 24.2 cm"-"1. The parameters obtained are compared with those of 2 and Nd[N(SiMe_3)_2]_3(CNC_6H_1_1)_2 (3). The observed trends of CF parameters are consistent with the results of simple model calculations in the framework of the angular overlap model. (orig.)

CERN Document Server

The Hamiltonian Mean Field model describes a system of N fully-coupled particles showing a second-order phase transition as a function of the energy. The dynamics of the model presents interesting features in a small energy region below the critical point. In particular, when the particles are prepared in a ``water bag'' initial state, the relaxation to equilibrium is very slow. In the transient time the system lives in a dynamical quasi-stationary state and exhibits anomalous (enhanced) diffusion and L\\'evy walks. In this paper we study temperature and velocity distribution of the quasi-stationary state and we show that the lifetime of such a state increases with N. In particular when the $N\\to \\infty$ limit is taken before the $t \\to \\infty$ limit, the results obtained are different from the expected canonical predictions. This scenario seems to confirm a recent conjecture proposed by C.Tsallis.

International Nuclear Information System (INIS)

The energy levels scheme of octahedrally coordinated Ni2+ ion in single crystal, powder nano-single crystal, ceramics and glass-ceramics of MgGa2O4 host matrix, has been calculated in the exchange charge model of crystal field. The parameters of the crystal field acting on the Ni2+ ion are calculated from the crystal structure data, after optimization of the geometry of the system. The energy level schemes have been calculated by diagonalization of the crystal field Hamiltonian of this system. The obtained results were compared with experimental data; a good agreement were demonstrated, which confirm the validity of the model and used method.

International Nuclear Information System (INIS)

Conditions for the construction of polynomial eigen-operators for the Hamiltonian of collective string field theories are explored. Such eigen-operators arise for only one monomial potential v(x)=#mu#x"2 in the collective field theory. They form a w_#infinity#-algebra isomorphic to the algebra of vertex operators in 2d gravity. Polynomial potentials of orders only strictly larger or smaller than 2 have no non-zero-energy polynomial eigen-operators. This analysis leads us to consider a particular potential #nu#(x)=#mu#x"2+g/x"2. A Lie algebra of polynomial eigen-operators is then constructed for this potential. It is a symmetric 2-index Lie algebra, also represented as a subalgebra of U(sl(2)). (orig.).

International Nuclear Information System (INIS)

Nanocrystalline samples of Fe_8_0Mo_2_0 and Fe_5_0Mo_5_0 alloys were prepared by the mechanical milling method. The structure, lattice parameters, and crystallite size were determined by the X-ray diffraction. The magnetic properties of the milled products were determined by the Moessbauer spectroscopy. It was observed that in the case of the Fe_8_0Mo_2_0 alloy a solid solution of Mo in Fe was formed with the lattice parameters of the Fe increasing from 0.28659 nm to 0.29240 nm and the crystallite size decreasing from 250 nm to 20 nm. In the case of the Fe_5_0Mo_5_0 alloy there were no clear changes in values of the lattice parameters of Fe and Mo during the milling process, but the crystallite size decreased from 200 to 15 nm. Moessbauer spectra revealed different magnetic phases in the machanosynthesized Fe_Mo samples. In the case of the Fe_8_0Mo_2_0 alloy, the spectrum for the milled mixture indicated the formation of ...

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Using the constrained-curve fitting method and overlap fermions with the lowest pion mass at 180 MeV, we observe that the masses of the first positive and negative parity excited states of the nucleon tend to cross over as the quark masses are taken to the chiral limit. Both results at the physical pion mass agree with the experimental values of the Roper resonance (N{sup 1/2+}(1440)) and S{sub 11} (N{sup 1/2-}(1535)). This is seen for the first time in a lattice QCD calculation. These results are obtained on a quenched Iwasaki 16{sup 3}x28 lattice with a=0.2 fm. We also extract the ghost {eta}{sup '}N states (a quenched artifact) which are shown to decouple from the nucleon interpolation field above m{sub {pi}}{approx}300 MeV. From the quark mass dependence of these states in the chiral region, we conclude that spontaneously broken chiral symmetry dictates the dynamics of light quarks in the nucleon.

Energy Technology Data Exchange (ETDEWEB)

Using the constrained curve fitting method and overlap fermions with the lowest pion mass at 180 MeV, we observe that the masses of the first positive and negative parity excited states of the nucleon tend to cross over as the quark masses are taken to the chiral limit. Both results at the physical pion mass agree with the experimental values of the Roper resonance (N{sup 1/2+} (1440)) and S{sub 11} (N{sup 1/2-}(1535)). This is seen for the first time in a lattice QCD calculation. These results are obtained on a quenched Iwasaki 16{sup 3} x 28 lattice with a = 0.2 fm. We also extract the ghost {eta}{prime} N states (a quenched artifact) which are shown to decouple from the nucleon interpolation field above m{sub {pi}} {approx} 300 MeV. From the quark mass dependence of these states in the chiral region, we conclude that spontaneously broken chiral symmetry dictates the dynamics of light quarks in the nucleon.

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The oxidative dehydrodimerization of propylene to C/sub 3/-dimers (1,5-hexadiene and benzene) has been examined at 600/sup 0/C and atmospheric pressure using a (Bi/sub 2/O/sub 3/)/sub 0.85/(La/sub 2/O/sub 3/)/sub 0.15/ oxide ion-conducting catalyst in a reactor where a catalyst disk separates a feed of propylene in helium from air. The surface of the disk exposed to propylene was reoxidized not by gaseous O/sub 2/, but by the dissociative adsorption and reduction of dioxygen at the oxidant side of the disk, followed by oxide ion conduction to replace spent lattice oxygen. Selectivity to C/sub 3/-dimers when using lattice oxide migration to reoxidize the catalyst was considerably greater than when O/sub 2/ was added to the propylene feed under the same reaction conditions. This result supports the proposal that lattice oxygen is predominantly involved in the selective oxidation of propylene to C/sub 3/-dimers, and ...

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Vanadium doped manganese bi-oxide has been obtained from a solution containing both cations. The X-ray diffraction of this material indicates a rutile-type phase but the enlargement of some lines supports the existence of several lattice defects. Also the particle size of the doped material is significantly smaller than the one of the non-doped material obtained in the same conditions. The presence of pentavalent vanadium inside the lattice leads to a small amount of trivalent manganese. Electron microscopy shows the existence of defects which have a tendency of becoming well-ordered and to stabilize a sur-structure. At ambient temperature, the electrochemical behaviour of doped manganese bi-oxide is greatly improved when compared to the non-doped phase. This behaviour is due to the presence of numerous lattice defects and to the smaller size of crystallites. In polymer batteries, the behaviour is similar the one of the ...

CERN Document Server

We show how to obtain a fast component-by-component construction algorithm for higher order polynomial lattice rules. Such rules are useful for multivariate quadrature of high-dimensional smooth functions over the unit cube as they achieve the near optimal order of convergence. The main problem addressed in this paper is to find an efficient way of computing the worst-case error. A general algorithm is presented and explicit expressions for base~2 are given. To obtain an efficient component-by-component construction algorithm we exploit the structure of the underlying cyclic group. We compare our new higher order multivariate quadrature rules to existing quadrature rules based on higher order digital nets by computing their worst-case error. These numerical results show that the higher order polynomial lattice rules improve upon the known constructions of quasi-Monte Carlo rules based on higher order digital nets.

International Nuclear Information System (INIS)

X-ray magnetic diffraction (XMD) technique was applied to an orbital ordering compound of ferromagnetic YTiO_3 for the first time. The orbital-magnetic form factor #mu# _L(k) and the spin-magnetic form factor #mu# _S(k) were independently measured by utilizing the LS separation ability of the XMD. The #mu# _L(k) was measured for ten reciprocal-lattice points. No significant values of the #mu# _L(k) were observed for most of the reciprocal-lattice points within the estimated statistical errors, which suggested quenching of the orbital moment. The #mu# _S(k) was measured for 22 reciprocal-lattice points. Fourier synthesis of the #mu# _S(k) gave the spin density distribution m _S(r) in the real space. The obtained m _S(r) map shows the characteristic feature of the electron distribution of 3d electron in the t_2_g state of a Ti atom coordinated by O"2"- ions, in which the electrons are distributed away from the negative O"2"- ...

International Nuclear Information System (INIS)

With "1"5"1Eu-Moessbauer spectroscopy and other methods the complex magnetic properties of Eu_2PdSi_3, arising from the two crystallographically different lattice sites of the Eu"2"+ ions, have been already studied. Here we study the impact of magnetic dilution of the magnetic Eu"2"+ sites by non-magnetic Y"3"+ ions. A previous specific heat study has found reduced magnetic ordering temperatures with strong indication of disorder effects like in magnetic spin glasses. Here we provide from "1"5"1Eu-Moessbauer spectroscopy detailed information of the impact of Y"3"+ substitution on the magnetic properties of the two lattice sites, well distinguishable in the "1"5"1Eu-spectra. Since the substitution of the larger Eu"2"+ ions by the smaller Y"3"+ ions is connected with a lattice contraction, we also applied high pressure to the Eu_2PdSi_3 sample and observed drastic changes in the magnetic properties originating from a valence ...

International Nuclear Information System (INIS)

The optical spectra of actinide ions in the compound AnCl_3 and doped into single crystal LaCl_3 were interpreted in terms of transitions within 5f"N configurations. Energy-level calculations were carried out using an effective operator Hamiltonian, the parameters of which were determined by fitting experimental data. Atomic and crystal-field matrices were diagonalized simultaneously assuming an approximate D_3_h site symmetry. The spectroscopic data were taken from the literature but in most cases supplemented by unpublished measurements in absorption and in fluorescence. Spectroscopic data for each ion were analyzed independently, then the model parameters were intercompared and in many cases adjusted such that in the final fitting process the principal interactions showed uniform trends in parameter values with increasing atomic number. Consistent with analyses of the spectra of lanthanide ions in both LaCl_3 and LaF_3, abrupt changes in magnitude of certain ...

International Nuclear Information System (INIS)

Spectral-luminescent characteristics of Sr2Y8(SiO4)6O2: Eu powder crystal phosphor with the apatite structure and high-intensity luminescence of Eu3+ ions have been studied. The charge state of europium in the samples has been characterized by means of X-ray L3-adsorption spectroscopy. It was established that Eu3+ forms two types of optical centers. Besides, luminescence of Eu2+ions was found. Reduction Eu3+#->#Eu2+ was considered, which may be due to VSr|| vacancy formation in the 4f crystal lattice position and to negative charge transfer by this vacancy to two EuY3+ ions. Thus, in the silicate lattice there exist inhomogeneously distributed oxygen-deficient centers, which are responsible for nonradiative transfer of excitation energy to Eu3+ and Eu2+ ions. To study electron-vibrational interactions in the crystal phosphor samples, their IR and Raman spectra were examined. In the luminescence spectrum of Eu2+, a series of low-intensity ...

International Nuclear Information System (INIS)

A magnetic rhombohedral PrCo_2C_x (x = 0.05 #approx#0.25) phase (space group Rbar 3m), which is heavily twinned along the #left brace#110#right brace# and #left brace#211#right brace# planes, was identified. The twinning mechanism was explored by analyzing the reduction of crystal symmetry due to the cubic-rhombohedral phase transformation. The origin of the twinning and the formation of four twin variants were attributed to the insertion of carbon interstitials into Co_4 tetrahedrons along the bar 3 axis in the rhombohedral lattice, which corresponds to one of the four equivalent axes of its parent PrCo_2 cubic-lattice.

CERN Document Server

We introduce reflexive polytopes of index l as a natural generalisation of the notion of a reflexive polytope of index 1. These l-reflexive polytopes also appear as dual pairs. In dimension two we show that they arise from reflexive polygons via a change of the underlying lattice. This allows us to efficiently classify all isomorphism classes of l-reflexive polygons up to index 200. As another application, we show that any reflexive polygon of arbitrary index satisfies the famous "number 12" property. This is a new, infinite class of lattice polygons possessing this property, and extends the previously known sixteen instances. The number 12 property also holds more generally for l-reflexive non-convex or self-intersecting polygonal loops. We conclude by discussing higher-dimensional examples and open questions.

Science.gov (United States)

The induced radioactivity in the construction materials of a Cockcroft-- Walton type neutron generator was measured. Major activation products (/sup 24/ Na, /sup 28/Al, /sup 56/Mn, /sup 64/Cu, /sup 65/Ni, /sup 69m/Zn, /sup 88/Rb /sup 91/Sr /sup 101/Mo, /sup 187/W/ and resulting doses are tabulated. Results show that the highest gamma activities would be observed in the fluorescent bulbs, copper pipe, aluminum lattice rod, and the aluminum pipe clamp. Thermoluminescent dosimeter readings yield the highest doses for the copper pipe tee, copper pipe, and aluminum lattice rod. Results of measuremerts of the neutron and gamma dose profiles of the facility are shown. However the indication is clearly that the tritium target, compared to other components, is the major source of radiation both during and after shutdown. (UK)

International Nuclear Information System (INIS)

The effect of various hydrogen concentrations on the crystal lattice period and the hardness of titanium alloy was examined, the alloy containing about 16 at.% Mo (27.5 wt. % Mo) and having #beta# structure. The peculiar features of the mechanism of plastic deformation of the alloy were studied after adding hydrogen to it. A dependence of the crystal lattice period on the concentration of hydrogen was obtained for TixMoxH_2 alloy. It has been established that the hardness of the Ti-Mo alloy does not change when hydrogen is added to it. The presence of hydrogen introduces changes into the mechanism of deformation of #beta#-titanium alloy. The configuration of the inverse pole figures after rolling proves that the transverse slip process in an alloy with hydrogen is hampered, and that the coplanar slip process is developing in it.

Energy Technology Data Exchange (ETDEWEB)

We investigate Fermi liquid in the single-channel U-infinite N fold degenerate Anderson lattice with use of the expansion from the large limit of the spin-orbital degeneracy N. By collecting all diagrams up to O(N{sup -2}) of the imaginary part of the self-energy of the conduction electrons, the sum of those is shown to be given by a form proportional to {omega}{sup 2} + {pi}{sup 2}T{sup 2} up to O(N{sup -2}) in the single-channel model. On the other hand, the imaginary part of the self-energy of O(N{sup -1}) in the multichannel model has more singular frequency-/temperature-dependence, so the system is regarded as non-Fermi liquid. (author)

International Nuclear Information System (INIS)

Shadow effect was used for investigating damage of uranium dioxide monocrystal. The dependence of shadow minimum parameters on fluence of "2"2Ne ions with 172 MeV energy was followed when detecting fission fragments. Ion dose responsible for sufficient microdamage of lattice structure, included into the classification of heavy ion damage effect on monocrystals was determined. The problem of radiation intensity effect on the character of occurred damages was studied. It was established that macroscopic sample failure, caused by generation of considerable mechanical stresses in monocrystal under beam effect could be observed along with microdamages of lattice structure at ion flux density >10"1"2 cm"-"2Xs"-"1.

International Nuclear Information System (INIS)

The cubic-tetragonal lattice transformation in A-15 compounds is described by an empirical model in which the density of states function near the Fermi energy is characterized by a two-parametric peak in addition to the constant part. Two types of peak splitting under tetragonal deformation are considered, leading to qualitatively different results about the phase transition. Results are given for the order parameter, the phase stability, the soft elastic modulus, and the paramagnetic spin susceptibility. Comparing with measurements of the magnetic susceptibility of V_3Si single crystals near the phase transition a better agreement is obtained for a twofold degenerate density of states peak than for a threefold degenerate one. (author).

Energy Technology Data Exchange (ETDEWEB)

The ammoxidation of propane over VSb{sub y}O{sub x} catalysts (y=1, 2, 5) was investigated with respect to the role of different oxygen species in the selective and non selective reaction steps using transient experiments in the Temporal Analysis of Products (TAP) reactor. Only lattice oxygen is involved in the oxidation reactions. Using isotopic labelled oxygen it is shown that two different active sites exist on the surface. On site A, which can be reoxidized faster by gas phase oxygen compared to site B, mainly CO is formed. On site B CO{sub 2} and acrolein as well as NO and N{sub 2}O in the presence of ammonia in the feed gas are formed and reoxidation mainly occurs with bulk lattice oxygen. (orig.)

International Nuclear Information System (INIS)

The dependence of Tsub(c) on composition and deformation is calculated and compared with the corresponding dependence for Tsub(m). It is shown that superconducting and structural properties of A-15 compounds can be described, at least qualitatively, by the quasi-one-dimensional model previously developed by the authors. The superconductivity mechanism is assumed to be analogous to the BCS theory. The upper critical field Hsub(c2) of the V_3Si or Nb_3Sn compounds is found to be much greater than that in V or Nb.

International Nuclear Information System (INIS)

Refractive indices of some mixed compound semiconductors below the bandgap are presented on the basis of some fundamental parameters and the effect of lattice mismatch on the refractive index step is also studied. The results help to design a variety of opto-electronic devices for the use in optical fiber communication and heterostructure lasers. The calculated values agree well with available experimental values thus justifying the approach. (author).

International Nuclear Information System (INIS)

Time resolved phase transition and strain experiments have been performed on the millisecond time scale using a Bragg-edge transmission technique that has been developed at the Los Alamos National Laboratory. The precision with which lattice parameters can be determined from edge positions is sufficient to perform high-resolution strain measurements in uniaxial stress.

International Nuclear Information System (INIS)

The (Al/sub x/Ga/sub 1-x/)/sub 0.5/In/sub 0.5/P material system, lattice matched to GaAs substrates, is useful for visible laser diodes. Here, low pressure organometallic vapor phase epitaxial growth of Ga/sub 0.5/In/sub 0.5/P and (Al/sub x/Ga/sub 1-x/)/sub 0.5/In/sub 0.5/P is examined. Epitaxial layers of bulk materials are characterized using photoluminescence, electroreflectance, Raman scattering spectroscopy, and surface morphology studies to determine lattice match and optimum growth conditions. Lattice matching at the growth temperature produces featureless growth surfaces, while lattice matching at room temperatures results in minimum photoluminescence linewidth but cracked surface due to tensile strain during growth. Raman scattering spectra of the quaternary reveal a three-mode structure, with spectral peaks due to GaP-like, in P-like, and AIP-like LO phonons. Additionally, (Al/sub x/Ga/sub ...

International Nuclear Information System (INIS)

One of the limiting contributors to the heat load constraint for the Yucca Mountain repository is the decay of Americium 241. A possible option to reduce the heat load produced by Am-241 is to eliminate or transmute it in a light water reactor thermal neutron environment, particularly, by taking advantage of the thermal fission cross section of Am-242 and Am-242m. In this study we employ lattice loading optimization techniques to define the americium/uranium blending and pin arrangements via an adaptation of the code FORMOSA-L to include the incineration of preloaded americium as an objective function. The optimization routines were designed to maximize americium transmutation, while maintaining power peaking below a predefined constraint. The viability of these lattice designs has been analyzed by creating bundles with these Am-spiked lattices and by loading these bundles into realistic 3D BWR core-wide simulation models ...

Science.gov (United States)

Nuclear magnetic resonance results are presented for a number of NaCl-type compounds and cubic Laves-phase type compounds of uranium, neptunium, and plutonium. Special emphasis is placed on the Knight shift and spin-lattice relaxation time measurements and their interpretation in terms of localized or itinerant pictures of the 5Line integral electrons.

International Nuclear Information System (INIS)

We study the Anderson model on a two-dimensional square lattice with an applied weak magnetic field B which causes the hopping matrix elements to have Peierls phase factors. The recursion method is applied and B dependent conductivity ?(B) is calculated from the Kubo formula for different system sizes and degree of disorder W . For large W there is no systematic change of ?(B) with B, it shows a fluctuating behavior.

Energy Technology Data Exchange (ETDEWEB)

We calculate the S-wave scattering lengths for charmed mesons scattering off Goldstone bosons and explore their quark mass dependence using the chiral perturbation theory up to next-to-leading order as well as a unitarized version of it. The quark mass dependence of all scattering lengths determined in a recent lattice calculation can be reproduced by the unitarized version. We also discuss signals of possible bound states in these observables. (orig.)

International Nuclear Information System (INIS)

Experimental data in the Kondo lattice YbPd_2Si_2 is compared with the results of a hybridization model, based ont he 'large degeneracy expansion' approximation, which takes into account the crystal field level splittings of the Yb ion. We show that satisfactory agreement is obtained with a unique set of crystal field and hybridization parameters. (orig.).

Energy Technology Data Exchange (ETDEWEB)

This paper describes a simple analysis procedure that transforms a set of beamline orbit data into a set of harmonic orbits of first, second, and third order or higher. Each harmonic orbit can be studied individually to identify errors of the specific order with minimum interference from other orders. Effectively these are orbits caused by kicks, due to harmonic errors, propagated through linear lattice. Examples from accelerator study will be presented. The application and inherent limitations of this analysis procedure are discussed.

CERN Document Server

We report an uncertainty evaluation of an optical lattice clock based on the $^1S_0\\leftrightarrow^3P_0$ transition in the bosonic isotope $^{174}$Yb by use of magnetically induced spectroscopy. The absolute frequency of the $^1S_0\\leftrightarrow^3P_0$ transition has been determined through comparisons with optical and microwave standards at NIST. The weighted mean of the evaluations is $\

UK PubMed Central (United Kingdom)

PurposeTo describe clinical data and to characterize mutations in the transforming growth factor beta-induced (TGFBI) gene in patients from three unrelated Chilean...Full Text Available

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The ErNi{sub 1-} {sub x} Cu {sub x} Al compounds crystallize all in the hexagonal ZrNiAl-type structure. The concentration dependence of lattice constants shows a discontinuity between x=0.5 and 0.6. This structural change has no primary impact on the magnetic order in this series, but influences the crystal field. The lower part of the crystal-field energy-level schemes has been estimated from the specific-heat data.

Energy Technology Data Exchange (ETDEWEB)

With the help of the symmetry at the P point, we have determined the relations between the force constants and the moduli of elasticity for A-15 compounds. Based on these relations, a semi-experimental method for the study of the lattice dynamic behaviors of A-15 compounds is developed. Numerical calculations of the phonon spectrum of Nb/sub 3/Sn and its temperature dependence have been made, and they are in good agreement with the experimental data.

International Nuclear Information System (INIS)

Results of an augmented-plane-wave calculation of the positron lifetime and the angular-correlation curves for aluminum, both in the vacancy-free crystal and in the crystal with a vacancy, are presented. The environment of the vacancy was simulated by a face-centered-cubic supercell with a volume 27 times that of the standard primitive unit cell of the Al lattice. The calculated positron-vacancy binding energy is 3.36 eV at room temperature. The temperature dependences of the trapping potential, the positron-vacancy binding energy, and the positron lifetime both in the Bloch state and in the vacancy-trapped state, associated only with the static thermal expansion of the lattice, have been calculated. It is found that the fractional increase in positron lifetime in the Bloch state is only approx.80% of the fractional increase in the volume of the lattice. The lifetime in the vacancy-trapped state is also found to vary with ...

Energy Technology Data Exchange (ETDEWEB)

Commercially-available nuclear fixturing systems typically include a square lattice of tapped and bushed holes with precision locating and clamping elements that can be rigidly attached to the lattice using dowel pins or expanding mandrels. Currently, human expertise is required to synthesize a suitable arrangements of these elements to hold a given part. Besides being time consuming, if the set of alternatives is not systematically explored, the designer may fail to find an acceptable fixture or may settle upon a suboptimal fixture. We consider a class of modular fixtures that prevent a part from translating or rotting in the plane using four point contacts on the part`s boundary. These fixtures are based on three round locators, each centered on a lattice point, and one translating clamp. We present an algorithm that accepts a polygonal part shape as input and synthesizes the set of all fixture designs that achieve form ...

International Nuclear Information System (INIS)

In this thesis, a new ab-initio method for molecular dynamics within the framework of density functional theory was developed and implemented. It is strongly related to the projector-augmented-wave method (PAW) by P. Bloechl, but also includes elements of a pseudocharge method proposed by M. Weinert for the full-potential linearized augmented plane wave method (FLAPW). Like the FLAPW-method, the PAW-method is an all-electron method. In the later case, the hamiltonian takes quite a simple form similar to the one obtained when using normconserving Kleinman-Bylander-type pseudopotentials or ultrasoft Vanderbilt pseudopotentials. The PAW-method allows for an efficient calculation of systems containing virtually any element of the periodic table, including those which require high numerical effort when treated using normconserving pseudopotentials (e.g. 2p-elements like oxygen or 3d-transitional metals like copper). In addition, a higher accuracy compared to the ...

International Nuclear Information System (INIS)

We consider spatially homogeneous (but generally non-isotropic) cosmologies in the recently proposed Horava-Lifshitz gravity and compare them to those of general relativity using Hamiltonian methods. In all cases, the problem is described by an effective point particle moving in a potential well with exponentially steep walls. Focusing on the closed-space cosmological model (Bianchi type IX), the mixmaster dynamics is now completely dominated by the quadratic Cotton tensor potential term for a very small volume of the universe. Unlike general relativity, where the evolution toward the initial singularity always exhibits chaotic behavior with alternating Kasner epochs, the anisotropic universe in Horava-Lifshitz gravity (with parameter #lambda# > 1/3) is described by a particle moving in a frozen potential well with fixed (but arbitrary) energy E. Alternating Kasner epochs still provide a good description of the early universe for very large E, but the evolution ...

International Nuclear Information System (INIS)

Spectroscopic properties of Er"3"+ : CBS (CdSO_4 + B_2O_3 and R_2SO_4 + CdSO_4 + B_2O_3, R_2SO_4 = Li_2SO_4.H_2O, Na_2SO_4, K_2SO_4 and Gd_2(SO_4)_3.8H_2O) glasses are reported. The assigned energy level data of Er"3"+(4f"1"1) in these glasses are analysed in terms of a parametrized model Hamiltonian. The standard deviations of the data fits are between 39 and 47 cm"-"1 so that the energy level schemes of the Er"3"+(4f"1"1) ions in borosulphate (CBS) glasses are reasonably well reproduced. Radiative properties for the fluorescent levels of Er"3"+ : CBS glasses are determined by using the Judd-Ofelt theory. The potential laser transitions are identified with the help of predicted radiative properties which are compared and discussed with similar results. (author).

CERN Document Server

Starting from the original collective Hamiltonian of Bohr and separating the beta and gamma variables as in the X(5) model of Iachello, an exactly soluble model corresponding to a harmonic oscillator potential in the beta-variable (to be called X(5)-$\\beta^2$) is constructed. Furthermore, it is proved that the potentials of the form $\\beta^{2n}$ (with n being integer) provide a ``bridge'' between this new X(5)-$\\beta^2$ model (occuring for n=1) and the X(5) model (corresponding to an infinite well potential in the beta-variable, materialized for n going to infinity. Parameter-free (up to overall scale factors) predictions for spectra and B(E2) transition rates are given for the potentials $\\beta^2$, $\\beta^4$, $\\beta^6$, $\\beta^8$, corresponding to E(4)/E(2) ratios of 2.646, 2.769, 2.824, and 2.852 respectively, compared to the E(4)/E(2) ratios of 2.000 for U(5) and 2.904 for X(5). Hints about nuclei showing this behaviour, as well as about potentials ...

CERN Document Server

We propose the Particle Swarm Optimization (PSO) as an alternative method for locating periodic orbits in a three--dimensional (3D) model of barred galaxies. We develop an appropriate scheme that transforms the problem of finding periodic orbits into the problem of detecting global minimizers of a function, which is defined on the Poincar\\'{e} Surface of Section (PSS) of the Hamiltonian system. By combining the PSO method with deflection techniques, we succeeded in tracing systematically several periodic orbits of the system. The method succeeded in tracing the initial conditions of periodic orbits in cases where Newton iterative techniques had difficulties. In particular, we found families of 2D and 3D periodic orbits associated with the inner 8:1 to 12:1 resonances, between the radial 4:1 and corotation resonances of our 3D Ferrers bar model. The main advantages of the proposed algorithm is its simplicity, its ability to work using function values solely, as ...

International Nuclear Information System (INIS)

We present a description of the ground state and low-lying excited states of two holes in the 4x4 cluster t-J model in terms of a simple model for the motion of a single bipolaron. The existence of short-range antiferromagnetic correlations has been assumed. According to the suggested scenario, the formation of the bipolaron is mediated by the reduction of the magnetic energy in the case of two holes occupying nearest neighbor sites. The relevant part of the Hilbert space consists of wave functions corresponding to holes oscillating around pairs of nearest neighbor sites and trapped in a potential well due to strings of spin defects. Virtual processes which connect these states involve both the kinetic term and the transverse part of the Heisenberg Hamiltonian. Many properties of energy level schemes obtained by numerical diagonalizations such as the sequence of the lowest states for each irreducible representation of the k vector point groups can be reproduced ...

International Nuclear Information System (INIS)

The quantum behavior of the vacuum Bianchi type-IX universe with the cosmological constant is investigated in terms of the Ashtekar variables. An exact solution to the quantum Hamiltonian constraint in the holomorphic representation is given. This solution reduces to the Hartle-Hawking wave function in the spatially isotropic sector and extends in the triad representation to the classically forbidden region where the determinant of the spatial metric becomes negative. The analysis of the quantum Robertson-Walker universe indicates that if the superspace is extended to such a classically forbidden region, the holomorphic representation picks up some restricted class of solutions in general. This observation leads to a new ansatz on the boundary condition of the Universe. In particular, the behavior of the Lorentzian and Euclidean WKB orbits corresponding to the solution suggests a new picture on the semiclassical behavior of the quantum Universe: that the Universe ...

International Nuclear Information System (INIS)

A Tm"3"+- Ho"3"+ -codoped single crystal of monoclinic BaY_2F_8 has been characterized by means of high resolution FTIR spectroscopy in the wave number range 2000-24000 cm"-"1 and in the temperature range 9-300 K. The energy level schemes of the two lanthanide ions as determined by the optical absorption spectra is presented, analyzed, and fitted within a single ion Hamiltonian model. The very small energy separation (about 0.6-1.6 cm"-"1) measured between the first and second sublevels of the ground state manifolds for both the ions is in line with the theoretical predictions. The impurity-phonon coupling is put into evidence by the thermally induced line shift and broadening, and by the detection of vibronic replicas of a few lines. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

CERN Document Server

While dealing with molecular systems, it is highly advantageous to work with a basis set which has definite total spin and also belongs to a definite irreducible representation of its symmetry (point) group. But unfortunately, there hadn't been any general simple technique to deal with the problem, especially when molecule possesses non-Abelian point group symmetry. In a previous paper \\cite{sahoo}, we presented a general technique which is a hybrid method based on Valence Bond basis and the basis of z-component of the total spin. The technique is applicable to all types of point groups and is easy to implement on computer. We illustrated the power of the method by applying it to a molecular magnetic system. Here we extend the method to electronic systems and demonstrate this extended technique by applying it to a model icosahedral half-filled electronic system (12 sites). Reasons we took this model are, its a system with huge Hilbert space (dimension 1,778,966; and we were able to ...

CERN Document Server

The detailed formulation for loop quantum cosmology (LQC) in the Bianchi I model with a scalar massless field has been constructed. In this paper, its effective dynamics is studied in two improved strategies for implementing the LQC discreteness corrections. Both schemes show that the big bang is replaced by the big bounces, which take place up to three times, once in each diagonal direction, when the area or volume scale factor approaches the critical values in the Planck regime measured by the reference of the scalar field momentum. These two strategies give different evolutions: In one scheme, the effective dynamics is independent of the choice of the finite sized cell prescribed to make Hamiltonian finite; in the other, the effective dynamics reacts to the macroscopic scales introduced by the boundary conditions. Both schemes reveal interesting symmetries of scaling, which are reminiscent of the relational interpretation of quantum mechanics and also suggest ...

CERN Document Server

In this review, we show how advances in the theory of magnetic pseudodifferential operators (magnetic $\\Psi$DO) can be put to good use in space-adiabatic perturbation theory (SAPT). As a particular example, we extend results of [PST03] to a more general class of magnetic fields: we consider a single particle moving in a periodic potential which is subjectd to a weak and slowly-varying electromagnetic field. In addition to the semiclassical parameter $\\eps \\ll 1$ which quantifies the separation of spatial scales, we explore the influence of additional parameters that allow us to selectively switch off the magnetic field. We find that even in the case of magnetic fields with components in $C_b^{\\infty}(\\R^d)$, e. g. for constant magnetic fields, the results of Panati, Spohn and Teufel hold, i.e. to each isolated family of Bloch bands, there exists an associated almost invariant subspace of $L^2(\\R^d)$ and an effective hamiltonian which generates the dynamics ...

International Nuclear Information System (INIS)

The isostructural uranium monopnictides and monochalcogenides have become prototype systems in actinide research with respect to their unusual magnetic properties. We have investigated the origins in the electronic structure of the variation in magnetic behavior as the degree of 5f-electron localization changes from localized to itinerant on going up the pnictogen or chalcogen column, thus decreasing the U-U separation. We have applied a synthesis of: (1) A phenomenological theory of orbitally driven magnetic ordering which includes both the hybridization-induced and the RKKY exchange interactions on an equal footing, and (2) Ab initio electronic structure calculations, based on the linear-muffin-tin-orbital method, allowing a first-principles evaluation of the parameters entering the model Hamiltonian. We have investigated systematically characteristic trends and changes of the 5f-state resonance width, the hybridization potential, and the hybridization-induced ...

International Nuclear Information System (INIS)

We have measured the redshift evolution of the density of Lyman limit systems (LLSs) in the intergalactic medium over the redshift range 0 < z < 6. We have used two new quasar samples to (1) improve coverage at z #approx# 1, with GALEX grism spectrograph observations of 50 quasars with 0.8 < z_e_m < 1.3, and (2) extend coverage to z #approx# 6, with Keck ESI spectra of 25 quasars with 4.17 < z_e_m < 5.99. Using these samples together with published data, we find that the number density of LLS per unit redshift, n(z), can be well fit by a simple evolution of the form n(z) = n_3_._5[(1 + z)/4.5]"#gamma# with n_3_._5 = 2.80 #+-# 0.33 and #gamma# = 1.94"+"0"."3"6_-_0_._3_2 for the entire range 0 < z < 6. We have also reanalyzed the evolution of damped Ly#alpha# systems (DLAs) in the redshift range 4 < z < 5 using our high-redshift quasar sample. We find a total of 17 DLAs and sub-DLAs, which we have analyzed in combination with published data. The DLAs with ...

International Nuclear Information System (INIS)

Half-Heusler phases XYZ (Pearson symbol cF12) are chemically versatile and rich in physical properties. The half-Heusler phase in the Fe-Zn-Sb ternary system was reported in the year 2000. In this work, two new ternary phases are identified in the vicinity of the equiatomic composition FeZnSb in the same system: Fe1-xZnSb (tetragonal, space group P4/nmm, Pearson symbol tP6-?, Z=2: a=4.1113(6) A, c=6.0127(12) A for x=0.08 (1), and a=4.1274(6) A, c=6.0068(12) A for x=0.12 (2)); and Fe7.87Zn6.72Sb8 (Fe0.98Zn0.84Sb) (3) (cubic, space group Fm-3m, Pearson symbol cF96-?, Z=4, a=11.690(13) A). 1 and 2 crystallize in the PbFCl-type structure, and 3 adopts a unique 2x2x2 supercell of a normal half-Heusler structure. The structures of both the tetragonal and cubic phases can be described as assemblies of half-Heusler structure related subunits. Electrical resistivity measurement on the pure sample of 2 shows it has metallic-like behavior, and its thermal ...

International Nuclear Information System (INIS)

The semiconducting compound CuGa_xIn_1_-_xSe_2 crystallizes in the chalcopyrite structure (space group Ianti 42d, Z=4). The X-ray powder data for x=1, 0.75, 0.6, 0.5, 0.4, 0.25 and 0.0 have been collected and it is found that the lattice parameters a and c and their ratio c/a vary linearly with x. Thus the composition of any chalcopyrite in the pseudo-binary system CuGaSe_2 and CuInSe_2 can be obtained from the accurate lattice parameters. The crystallite size determined from the (112) plane is minimum for x=0.50 (#propor to#1000 A) and away from x=0.50 it increases. A value of u=0.240 (5) has been established for fixing, the Se-atom positions in the CuGa_0_._5In_0_._5Se_2 solid solution. The JCPDS Diffraction File No. for CuInSe_2 is 40-1487 and for CuGa_0_._5In_0_._5Se_2 is 40-1488. (orig.).

International Nuclear Information System (INIS)

GaAs1-xPx p-n junction structures were grown on the epi-ready n-type GaAs(100) substrate by solid source MBE system for different phosphor compositions. To obtain the lattice-match sample structure was applied graded growth procedure. The structural and optical properties of the sample structures with different P concentration were investigated by using X-ray diffraction (XRD), spectroscopic ellipsometry (SE). In addition, The range of lattice parameters in the graded epilayer and phosphorous composition were determined from the HRXRD rocking curve simulation. We analyse dielectric function spectra of disordered GaAs1-xPx junction structures measured using spectroscopic ellipsometry at room temperature in the 0.6-4.7 eV photon energy region. The critical energy points such as band gap energy and spin-orbit-split energy of these structures were determined using SE data. It is detected that E0, E1 ,E2 energies of the GaAs1-xPx p-n junction ...

Energy Technology Data Exchange (ETDEWEB)

The paper discusses two petrochemical selective oxidation reactions namely the practised formation of styrene (STY) and the desired oxidative functionalisation of propane. The present knowledge about the mode of operation of oxide catalysts is critically considered. The dehydrogenation of ethylbenzene (EB) should be described by an oxidehydration with water acting as oxidant. The potential role of the coke formed during catalytic reaction as co-catalyst will be discussed. Selective oxidation is connected with the participation of lattice oxygen mechanism which transforms unselective gas phase oxygen into selective oxygen. The atomistic description of this process is still quite unclear as well as the electron structural properties of the activated oxygen atom. The Role of solid state acidity as compared to the role of lattice oxygen is much less well investigated modern multiphase-multielement oxide (MMO) catalysts. The rationale is that the ...

Energy Technology Data Exchange (ETDEWEB)

The temperature dependence of T/sub 1/ spin-lattice relaxation time on /sup 51/V, /sup 69/Ga, /sup 71/Ga and Knight shift on /sup 51/V and /sup 29/Si nuclei in polycrystalline V/sub 3/Si, V/sub 3/Ga, V/sub 3/Ge and in the monocrystal V/sub 3/Si in normal state is investigated. For V/sub 3/Si and V/sub 3/Ga a rapid growth (T/sub 1/T)/sup -1/ is observed with temperature decrease while for V/sub 3/Ge the maximum (T/sub 1/T)/sup -1/ at T approximately equal to 60 K has been found. The temperature dependence peculiarities have been discussed on the basis of theoretical models available and zone structure calculations for A-15 compounds. The T/sub 1/ anisotropy and possibility of its experimental discovery are considered. Anisotropic contribution in (T/sub 1/T)/sup -1/ and contributions of d states of different symmetries into the electron state density at the Fermi level are estimated for V/sub 3/Si from T/sub 1/ measurements.

Energy Technology Data Exchange (ETDEWEB)

The new frustrated square-lattice system, Pb{sub 2}VO(PO{sub 4}){sub 2}, has been investigated using polarised neutron scattering. From these studies, made on powdered samples, we have determined the nature of the exchange interactions and the magnetic ordering for this novel quantum magnet. Quantum order from disorder occurs at low temperature, and the ground state observed below the Neel temperature T {sub N}{approx}3.7 K is a collinear antiferromagnet. At room temperature there are no magnetic correlations and it is possible to model the scattering with the V{sup 4+} magnetic form factor. However, at T{approx}20 K, a temperature well into the paramagnetic phase, magnetic correlations are observed, and these spin correlations have been modelled using a high-temperature series expansion. Ferromagnetic nearest-neighbour exchange J {sub 1}{approx}-2 K and antiferromagnetic next-nearest-neighbour exchange J {sub 2}{approx}6.5 K are obtained, and this is of particular ...

International Nuclear Information System (INIS)

Three new rare earth metal-rich compounds, Gd_4NiTe_2, and Er_5M_2Te_2 (M=Ni, Co), were synthesized in direct reactions using R, R_3M, and R_2Te_3 (R=Gd, Er; M=Co, Ni) and single-crystal structures were determined. Gd_4NiTe_2 is orthorhombic and crystallizes in space group Pnma with four formula units per cell. Lattice parameters at 110(2)K are a=15.548(9), b=4.113(2), c=11.7521(15)A. Er_5Ni_2Te_2 and Er_5Co_2Te_2 are isostructural and crystallize in the orthorhombic space group Cmcm with two formula units per cell. Lattice parameters at 110(2)K are a=3.934(1), b=14.811(4), c=14.709(4)A, and a=3.898(1), b=14.920(3), c=14.889(3)A, respectively. Metal-metal bonding correlations were analyzed using the empirical Pauling bond order concept.

British Library Electronic Table of Contents (United Kingdom)

Photoluminescence properties and local electronic structures of rare earth (Eu^3^+ and Ce^3^+) activated Sr3AlO4F have been studied. X-ray powder diffraction data indicated that the activator ions of Eu^3^+ and Ce^3^+ can be incorporated into the Sr3AlO4F lattice and formed limited solid solutions of Sr3-2xLnxNaxAlO4F (Ln=Eu, Ce) with Na^+ as a charge compensator ion. The local structure around Sr sites was initially explored using Eu-activated Sr3AlO4F as a structural probe. Sr3AlO4F:Eu^3^+ exhibits orange-red emission ranging from 520 to 740nm with a maximum peak at about 619nm mainly originating from the ^5D0->^7FJ (J=0, 1, 2, 3, 4) transitions, indicating that Eu exists mainly in the trivalent state due to a strong oxidative lattice in Sr3AlO4F. Sr3AlO4F:Ce^3^+ shows an unusual long-wa...

International Nuclear Information System (INIS)

The energy E(c/a) for a bcc element stretched along its [001] axis (the Bain path) has a minimum at c/a=1, a maximum at c/a=#sq root#(2), and an elastically unstable local minimum at c/a>#sq root#(2). An alternative path connecting the bcc and fcc structures is the rhombohedral lattice. The primitive lattice has R3m symmetry, with the angle #alpha# changing from 109.4 deg. (bcc), to 90 deg. (simple cubic), to 60 deg. (fcc). We study this path for the non-magnetic bcc transition metals (V, Nb, Mo, Ta, and W) using both all-electron linearized augmented plane wave and projector augmented wave VASP codes. Except for Ta, the energy E(#alpha#) has a local maximum at #alpha#=60 deg., with local minima near 55 deg. and 70 deg., the latter having lower energy, suggesting the possibility of a metastable rhombohedral state for these materials. We first examine the elastic stability of the 70 deg. minimum structure, and determine that only W is ...

International Nuclear Information System (INIS)

Angelin Pedra is a specie found in the north of Mato Grosso State in Brazil, where an expressive volume of waste of this wood is produced. An alternative to recycle this waste is to produce wood plastic composites. However, structural and chemical investigations are fundamental to generate information for this use. In the present work, low field NMR was used to determine the spin-lattice and spin-spin relaxation times with objective to investigate the molecular dynamic behavior of the alburnu and cerne regions of Angelin Pedra aiming at a potential use of this waste wood in polymeric composites. The results of the proton spin-lattice relaxation time (T1H) and the proton spin-spin relaxation time (T2H) showed at least three different mobility domains for both regions. Among the values, one was very flexible and other was rigid. Knowing that wood is a polymer composite basically constituted by cellulose, hemicellulose and lignin can attribute the ...

International Nuclear Information System (INIS)

We have measured the lattice relaxation around As in Si at a homogeneous As concentration of 4x10"1"8 cm"-"3 by EXAFS spectroscopy. From the absorption spectra, distances up to the 4th shell could be extracted. A sizeable misfit due to an increased distance is only observed for the 1st shell. Complementing our experimental work we have performed ab initio calculations based on the density functional theory with the WIEN97 package which uses the linearised augmented plane wave method and with the FHI96md program which uses first-principles pseudo-potentials and a plane wave basis set to investigate the size dependence of the super-cells constructed around one substitutional As atom. The calculations yielded good agreement with our EXAFS experiment so that the determined relaxations can be used as a solid basis for further interpretations of derived parameters such as hyperfine interaction parameters in defect complexes.

International Nuclear Information System (INIS)

We consider the spin-k/2 XXZ model in the antiferromagnetic regime using the free-field realization of the quantum affine algebra U_q(sl_2) of level k. We give a free-field realization of the type-II q-vertex operator, which describes creation and annihilation of physical particles in the model. By taking a trace of the type-I and type-II q-vertex operators over the irreducible highest-weight representation of U_q(sl_2), we also derive an integral formula for form factors in this model. Investigating the structure of poles, we obtain a residue formula for form factors, which is a lattice analog of the higher-spin extension of Smirnov's formula in the massive integrable quantum field theory. This result as well as the quantum deformation of the Knizhnik-Zamolodchikov equation for form factors shows a deep connection in the mathematical structure of the integrable lattice models and the massive integrable quantum field theory. ((orig.)).

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In support of Stockpile Stewardship activities, accelerated aging tests on a plutonium alloy enriched with 7.3 at.% of {sup 238}Pu is underway using dilatometry at 35, 50, and 65 deg. C and immersion density measurements of materials stored at 50 deg. C. Changes in density are expected from radiation damage in the lattice and helium in-growth. After 25 equivalent years of aging, the dilatometry data shows that the alloys at 35 deg. C have expanded in volume by 0.11-0.12% and have started to exhibit a near linear expansion behavior primarily caused by the helium accumulation. The average He-to-vacancy ratio from tested specimens was determined to be around 2.55. The model for the lattice damage and helium in-growth accurately represents the volume swelling at 35 deg. C. The density converted from the dilatometry corresponds well to the decreasing density trend of reference plutonium alloys as a function of time.

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In support of Stockpile Stewardship activities, accelerated aging tests on a plutonium alloy enriched with 7.3 atomic percentage of {sup 238}Pu is underway using dilatometry at 35, 50, and 65 C and immersion density measurements of material stored at 50 C. Changes in density are expected from radiation damage in the lattice and helium in-growth. After twenty-five equivalent years of aging, the dilatometry data shows that the alloys at 35 C have expanded in volume by 0.11% to 0.12% and have started to exhibit a near linear expansion behavior primarily caused by the helium accumulation. The average He-to-vacancy ratio from tested specimens was determined to be around 2.3. The model for the lattice damage and helium in-growth accurately represents the volume swelling at 35 C. The density converted from the dilatometry corresponds well to the decreasing density trend of reference plutonium alloys as a function of time.

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The epithermal cross section shielding methods used in the lattice physics code EPRI-CELL (E-C) have been extensively studied to determine its major approximations and to examine the sensitivity of computed results to these approximations. The study has resulted in several improvements in the original methodology. These include: treatment of the external moderator source with intermediate resonance (IR) theory, development of a new Dancoff factor expression to account for clad interactions, development of a new method for treating resonance interference, and application of a generalized least squares method to compute best-estimate values for the Bell factor and group-dependent IR parameters. The modified E-C code with its new ENDF/B-V cross section library is tested for several numerical benchmark problems. Integral parameters computed by EC are compared with those obtained with point-cross section Monte Carlo calculations, and E-C fine group cross sections are ...

CERN Document Server

There are several approaches to describe flows with particles e.g. Lattice-Gas Automata (LGA), Lattice-Boltzmann method (LBM) or smoothed particle hydrodynamics (SPH). These approaches do not use fixed grids on which the Navier-Stokes equations are solved via e.g. finite volume method. The flow is simulated using a multitude of particles or particle density distributions, which interacts and due to statistical laws and an even more fundamental approach than the Navier-Stokes equation, the averaged flow variables can be derived. After a short summary of the most popular particle methods the new DMPC (Dissipative Multiple Particles Collision) approach will be presented. The DMPC-model eliminates some of the weak points of the established particle methods and shows high potential for more accurate CFD solution especially in areas where standard CFD tools still have problems (e.g. aero-acoustics). The DMPC-model deals with discrete circular ...

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Based on the generalized gradient approximation (GGA) of density functional theory (DFT) and the full-potential linearized augmented plane wave (FLAPW) at the level including all electrons, the lattice parameters of graphite are calculated and optimized. Some elastic wave velocities transmitted in graphite are deduced. Using the methods of elastic wave velocity method and the atomic displacement method, the Debye frequency of graphite is obtained. The standard heat capacity, entropy, sublimation enthalpy of graphite is deduced at 289.5 k and 1 atm. The calculated results are discussed and compared with experimental data. (authors)

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Chemical and phase homogeneity of titanium-niobium sponge, produced by a combined magnesium-thermic reduction of niobium pentachloride and titanium tetrachloride mixtures, is investigated. It is ascertained that a sponge consists of spherical shape particles and has a large number of pores. Particle sizes are reduced with niobium being substituted for titanium from 50-500 #mu#m for titanium sponge to 1-40 #mu#m for niobium one, which testifies to the bormation in a titanium-niobium sponge of an alloy and not a mechanical mixture. A number of solid solutions is detected by X-ray phase analysis. Lattice parameters are determined.

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The principle of conservation and transferability of chemical bonds explains the recent discovery by extended x-ray absorption fine-structure measurements of two unequal anion-cation bond lengths R/sub A/C and R/sub B/C in A/sub x/B/sub 1-x/C zinc-blende semiconductor alloys despite the close adherence of the lattice constant to the average value (Vegard rule). This bond alternation, manifested as a structural distortion to a local chalcopyrite coordination around the anions, explains also most of the observed optical bowing in semiconductor alloys.

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AuxZn1-x alloys undergo a shape memory martensitic transformation whose temperature and nature (continuous or discontinuous) is strongly composition dependent. Neutron diffraction experiments were performed on single crystals of x=50 and 52 to explore the structural changes occurring at the transition temperature. A transverse modulation with wavevector q0=(1/3,1/3,0) develops below the transition temperature, with no observable change in lattice parameter. However, the Bragg peak width shows a broadening suggesting an unresolved rhombohedral distortion similar to what has been observed in NiTi-Fe alloys.

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We investigate the formation of nanostructures in 2D strained alloys on face centered cubic (111) surfaces by means of equilibrium Monte Carlo simulations. In the framework of an off-lattice model, we consider one monolayer of two bulk-immiscible adsorbates A and B with negative and positive misfit relative to the substrate, respectively. Simulations show that the adsorbates partly self-organize into island or stripe-like patterns. We show how these structures depend on the relative misfits, interaction, and concentration of components. The morphology is quite different for phase separation and intermixing regimes.

CERN Document Server

We present investigations of the potential between static charges from a simulation of quantum gravity coupled to an SU(2) gauge field on 6^{3}\\times 4 and 8^{3}\\times 4 simplicial lattices. In the well-defined phase of the gravity sector where geometrical expectation values are stable, we study the correlations of Polyakov loops and extract the corresponding potentials between a source and sink separated by a distance R. In the confined phase, the potential has a linear form while in the deconfined phase, a screened Coulombic behavior is found. Our results indicate that quantum gravitational effects do not destroy confinement due to non-abelian gauge fields.

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The macroscopic stress distribution across an annealed Zircaloy-4 gas tungsten arc weld was measured by neutron time-of-flight diffraction at the SMARTS diffractometer at Los Alamos National Laboratory. The stresses after annealing are about 40% lower than those in the same weld prior to heat treatment. The intergranular strains in the reference coupons, which give the macroscopic stress free lattice spacings, are consistent with the difference in cooling the strongly textured plate and the weakly textured weld.

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The impulse method has been used to study "9"3Nb (nuclear quadrupole resonance (NQR) parameters quadrupole connection constant, spin-lattice and spin-spin relaxation times) in binary intermetallic compounds of Nb_3X (x=Al, Ga, Ge, Sn, Pt, Os, Ir, Sb) and in some ternary phases on the basis of the Nb_3Al compound. The discussion on experimental data obtained is carried out in approximation of a tight connection for d-electrons.

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An annealing with the nanosecond laser light pulse is applied for crystal lattice reconstruction of a disturbed near-surface layer, which was created in semiconductor material as a result of the implantation process. Radiation with energy density higher than the threshold value causes the melting of the surface layer and than the epitaxial recrystallization from the melt on a different substrate. Structural changes occurring in the Ge implanted Si crystals after annealing with different energy densities are investigated by means of the cross-section high-resolution transmission electron microscopy. (author)

British Library Electronic Table of Contents (United Kingdom)

We have successfully grown single crystalline Formula Not Shown with the range of Formula Not Shown using the floating-zone method. All compounds show orthorhombic symmetry in this substitution range, but the difference between lattice constants a and b decreases with increasing Sr concentration and becomes almost zero at Formula Not Shown . Characteristic temperatures, which correspond to antiferromagnetic ordering and structural transition, decrease with increasing Sr concentration. The value of the magnetic susceptibility below 30K increases with increasing Sr concentration. The temperature dependence of the electrical resistivity revealed that Sr substitution significantly suppresses the highly anisotropic electric structure of Formula Not Shown .

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In this work, we investigate the interstitial injection into the silicon lattice due to high-dose, low-energy arsenic implantation. The approach consists in monitoring the diffusion of the arsenic profile as well as of the boron profile in buried #delta#-doped layers, when amounts of the as-implanted arsenic profile are removed by low-temperature wet silicon etching. The experimental results indicate that the contribution of the implantation damage to the transient enhanced diffusion of boron, and thus the interstitial injection, is not the main one. On the contrary, interstitial generation due to arsenic clustering seems to be more important for the present conditions.

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This study aims to investigate the difference in the interaction of antimicrobial peptides with two classes of zwitterionic peptides, phosphatidylethanolamines (PE) and phosphatidylcholines (PC). Further experiments were performed on model membranes prepared from specific bacterial lipids, lipopolysaccharides (LPS) isolated from Salmonella minnesota. The structure of the lipid-peptide aqueous dispersions was studied by small-and wide-angle X-ray diffraction during heating and cooling from 5 to 85 C. The lipids and peptides were mixed at lipid-to-peptide ratios 10-10000 (POPE and POPC) or 2-50 (LPS). All experiments were performed at synchrotron soft condensed matter beamline A2 in Hasylab at Desy in Hamburg, Germany. The phases were identified and the lattice parameters were calculated. Alamethicin and melittin interact in similar ways with the lipids. Pure POPC forms only lamellar phases. POPE forms lamellar phases at low temperatures that upon heating transform ...

CERN Document Server

We study the production of gravitational waves from cosmic domain walls created during phase transition in the early universe. We investigate the process of formation and evolution of domain walls by running three dimensional lattice simulations. If we introduce an approximate discrete symmetry, walls become metastable and finally disappear. We calculate the spectrum of gravitational waves produced by collapsing metastable domain walls. Extrapolating the numerical results, we find the signal of gravitational waves produced by domain walls whose energy scale is around 10^10-10^12GeV will be observable in the next generation gravitational wave interferometers.

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A theoretical study of structural and electronic properties of GeC, SnC and GeSn is presented using the full potential linearized augmented plane wave method. In this approach, the generalized gradient approximation was used for the exchange-correlation potential. Results are given for lattice constant, bulk modulus and its pressure derivative in both zinc-blende and rocksalt structures. Band structure, density of states and band gap pressure coefficients in zinc-blende structure are also given. The results are compared with previous calculations and with experimental measurements.

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The orbit response matrix (ORM) method [1] is applied to model the Fermilab Booster with parameters such as the BPM gains and rolls, and parameters in the lattice model, including the gradient errors and magnets rolls. We found that the gradients and rolls of the adjacent combined-function magnets were deeply correlated, preventing full determination of the model parameters. Suitable constraints of the parameters were introduced to guarantee an unique, equivalent solution. Simulations show that such solution preserves proper combinations of the adjacent parameters. The result shows that the gradient errors of combined-function magnets are within design limits.

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We consider the radiation of particles (electrons and positrons) undergoing planar channeling in a single crystal of small thickness L. We show that for Lapprox...pi..b/theta/sub L/, where b is the lattice constant and theta/sub L/ is the Lindhard angle, in addition to the principal maxima of spontaneous radiation of channeled particles in the spectrum there are additional interference maxima, and the positions of all maxima of the radiation intensity depend on L. We discuss the dependence of the intensity of radiation at various frequencies on the crystal thickness.

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Power supply ripple at frequencies of 720 Hz and its harmonies is expected to affect the motion of particles in the collider. These ripple frequencies are nearly resonant with the betatron frequencies. To estimate the tolerable ripple levels, we have tracked particles through the complete nonlinear lattice for 10{sup 4} turns with ripple fed from 10 different power stations and including up to 7 different ripple frequencies. We presently estimate that relative ripple amplitudes must be below the 10{sup 8} level for there to be no significant impact on the emittance over the short term.

CERN Document Server

Using the finite-range regularisation (FRR) of chiral effective field theory, the chiral extrapolation formula for the vector meson mass is derived for the case of partially-quenched QCD. We re-analyse the dynamical fermion QCD data for the vector meson mass from the CP-PACS collaboration. A global fit, including finite lattice spacing effects, of all 16 of their ensembles is performed. We study the FRR method together with a naive polynomial approach and find excellent agreement ~1% with the experimental value of M_rho from the former approach. These results are extended to the case of the nucleon mass.

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This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described. Volume II: Monte Carlo Calculations for Nuclear Reactors. In-Core Management of Four Reactor Types. In-Core Management in CANDU-PHW Reactors. Reactor Dynamics. The Theory of Neutron Leakage in Reactor Lattices. Index.

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We show that specially designed two-dimensional arrangements of full elastic cylinders embedded in a nonviscous fluid or gas define (in the homogenization limit) a new class of acoustic metamaterials characterized by a dynamical effective mass density that is anisotropic. Here, analytic expressions for the dynamical mass density and the effective sound velocity tensors are derived in the long wavelength limit. Both show an explicit dependence on the lattice filling fraction, the elastic properties of cylinders relative to the background, their positions in the unit cell, and their multiple scattering interactions. Several examples of these metamaterials are reported and discussed.

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The 3-D neutronics code COREDAX has been developed based on AFEN (Analytic Function Expansion Nodal) method for x-y-z geometry and for hex-z geometry. In this study, the COREDAX code, as a regulatory review tool independent of the designer's, was applied to the SMART reactor core that was designed by KAERI (Korea Atomic Energy Research Institute). For nuclear cross section generation, the HELIOS lattice code was used in this study. The preliminary results for steady state in various conditions are presented in this paper

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Buffer layers with 100% lattice match with YBa2Cu3O7 - ? (YBCO) were prepared from mixed rare-earth-oxides applying a simple sol-gel process and dip-coating method. Structural analysis of the sol-gel derived powder by X-ray diffraction revealed that the mixing parameter, which eliminates the lattice mismatch with YBCO, is x = 0.2382, 0.1852, 0.1252, 0.0906, 0.0793 and 0.0395 in (Eu1 - xHox)2O3, (Eu1 - xErx)2O3, (Eu1 - xYbx)2O3, (Gd1 - xHox)2O3, (Gd1 - xYx)2O3 and (Gd1 - xYbx)2O3, respectively. Microstructural investigations were carried out for Gd1.819Ho0.181O3 films epitaxially grown on cube-textured Ni (100) substrates by sol-gel dip-coating process. X-ray diffraction of the buffer showed strong out-of-plane orientation on Ni tape. The (Gd1 - xHox)2O3 (222) pole figure indicated a single cube-on-cube textured structure. The omega and phi scans revealed good out-of-plane and in-plane alne alignments. The full-width at half-maximum values of ...

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The exchange charge model (ECM) of crystal field is utilized to provide the theoretical explanation of the ground state absorption and the excited state absorption observed for the octahedrally coordinated Ni{sup 2+} ions in the spinel MgAl{sub 2}O{sub 4}. The ECM enables modeling of the crystal field parameters (CFPs) for the impurity ions based on the crystal structure data of the host lattice. To ensure the reliability of the CFPs, the convergence of the CFP values with the increasing number of the coordination spheres taken into account in the ECM calculations is considered. The trigonal CFPs B{sub 2}{sup 0},B{sub 4}{sup 0}andB{sub 4}{sup -3} determined by the ECM, together with the appropriate Racah parameters B and C, serve as input to two crystal field analysis computer packages, which compute the energy level schemes within the whole 3d{sup 8} configuration. The cubic approximation utilizing only one CFP Dq is also discussed. Basic features of the ground ...

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X-ray magnetic diffraction (XMD) technique was applied to an orbital ordering compound of ferromagnetic YTiO{sub 3} for the first time. The orbital-magnetic form factor {mu} {sub L}(k) and the spin-magnetic form factor {mu} {sub S}(k) were independently measured by utilizing the LS separation ability of the XMD. The {mu} {sub L}(k) was measured for ten reciprocal-lattice points. No significant values of the {mu} {sub L}(k) were observed for most of the reciprocal-lattice points within the estimated statistical errors, which suggested quenching of the orbital moment. The {mu} {sub S}(k) was measured for 22 reciprocal-lattice points. Fourier synthesis of the {mu} {sub S}(k) gave the spin density distribution m {sub S}(r) in the real space. The obtained m {sub S}(r) map shows the characteristic feature of the electron distribution of 3d electron in the t{sub 2g} state of a Ti atom coordinated by O{sup 2-} ions, in which the ...

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The quenched chiral logarithms are examined on a 163x28 lattice with Iwasaki gauge action and overlap fermions. The pion decay constant fpi is used to set the lattice spacing, a = 0.200(3) fm. With pion mass as low as #approx#180 MeV, we see the quenched chiral logarithms clearly in mpi2/m and fP, the pseudoscalar decay constant. The authors analyze the data to determine how low the pion mass needs to be in order for the quenched one-loop chiral perturbation theory (chiPT) to apply. With the constrained curve-fitting method, they are able to extract the quenched chiral logarithmic parameter delta together with other low-energy parameters. Only for mpi<=300 MeV do we obtain a consistent and stable fit with a constant delta which they determine to be 0.24(3)(4) (at the chiral scale Lambdachi = 0.8 GeV). By comparing to the 123x28 lattice, they estimate the finite volume effect to be about 2.7% for the smallest pion mass. ...

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We use the bulge Sersic index n and bulge-to-total mass ratio (B/T) to explore the fundamental question of how bulges form. We perform two-dimensional bulge-disk-bar decomposition on H-band images of 143 bright, high-mass (M _* #>=# 1.0 x 10"1"0 M _s_u_n) low-to-moderately inclined (i < 70"0) spirals. Our results are as follows. (1) Our H-band bar fraction (#approx#58%) is consistent with that from ellipse fits. (2) 70% of the stellar mass is in disks, 10% in bars, and 20% in bulges. (3) A large fraction (#approx#69%) of bright spirals have B/T#<=# 0.2, and #approx#76% have low n #<=# 2 bulges. These bulges exist in barred and unbarred galaxies across a wide range of Hubble types. (4) About 65% (68%) of bright spirals with n #<=# 2 (B/T #<=# 0.2) bulges host bars, suggesting a possible link between bars and bulges. (5) We compare the results with predictions from a set of #LAMBDA#CDM models. In the models, a high-mass spiral can have a bulge with a present-day low ...

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Full text: In case of lanthanide (Ln) compounds the bis(trimethylsilyl)amido (btmsa) ligand is considered as a steric and electronic equivalent of the bis(trimethylsilyl)methanido (btmsm) group . Because of their extreme air and moisture sensitivity the chemistry of Ln(btmsm)_3 is very poor, whereas that of comparatively stable Ln(btmsa)_3 is much more developed. As we wish to extend the chemistry of Ln(btmsm)_3 and plan to derive and to parameterize the crystal field (CF) splitting patterns of the target molecules, it is recommended to study in advance the electronic structures of the corresponding compounds derived from Ln(btmsa)_3 . Beside (btmsa)_3 Nd(m-Cl)Li(THF)_3 a number of mono base adducts [(btmsa)_3 Ln.B] with sterically less demanding bases such as OPPh_3 , NCtBu or CNtBu have been described and were partly structurally characterized. Considering only the immediately coordinating atoms, the effective CF is of C_3_v symmetry. According to recent spectroscopic investigations, ...

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The detailed features of the calculated energy-level schemes and of thesingle-particle, orbit-occupancy properties of the low-lying levels of the/ital N/=50 isotones /sup 80/Zn, /sup 81/Ga,/sup 82/Ge, /sup 83/As, /sup 84/Se,/sup 85/Br, /sup 86/Kr, and /sup 87/Rb arepresented and discussed. These results are obtained with a new effectiveHamiltonian operator obtained empirically from an iterative fit to experimentalenergies taken from all experimentally studied (/ital A/=82--96)/ital N/=50 nuclei. The model space for the calculations consists ofactive 0/ital f//sub 5/2/, 1/ital p//sub 3/2/,1/ital p//sub 1/2/, and 0/ital g//sub 9/2/ proton orbits relativeto a nominal /sup 78/Ni core. This space is truncated internally byrestricting the number of particles excited from the negative-parity orbitsinto the /ital g//sub 9/2/ orbit to be no greater than four. The typicalstructures predicted for these lighter /ital N/=50 isotones are found tobe dominated by well-mixed ...

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An analysis of the energy level structure of Cr{sup 3+} ions in Cs{sub 2}NaAlF{sub 6} crystal is performed using the exchange charge model (ECM) together with the crystal field analysis/microscopic spin Hamiltonian (CFA/MSH) computer package. Utilizing the crystal structure data, our approach enables modelling of the crystal field parameters (CFPs) and thus the energy level structure for Cr{sup 3+} ions at the two crystallographically inequivalent sites in Cs{sub 2}NaAlF{sub 6}. Using the ECM initial adjustment procedure, the CFPs are calculated in the crystallographic axis system centred at the Cr{sup 3+} ion at each site. Additionally the CFPs are also calculated using the superposition model (SPM). The ECM and SPM predicted CFP values match very well. Consideration of the symmetry aspects for the so-obtained CFP datasets reveals that the latter axis system matches the symmetry-adapted axis system related directly to the six Cr-F bonds well. Using the ECM ...

CERN Document Server

Liquid-liquid wetting failure is investigated in a two-dimensional Couette system with two immiscible fluids of arbitrary viscosity. The problem is solved exactly using a sharp interface treatment of hydrodynamics (lubrication theory) as a function of the capillary number, viscous ratio and separation of scale, i.e. slip length versus macroscopic scale of the system. The existence of critical velocities, above which no stationary solutions are found, is analyzed in detail in terms of the relevant parameters of the system. Comparisons with existing analysis for other geometries are also carried out. A numerical method of analysis is also presented, based on diffuse interface models obtained from multiphase extensions of the lattice Boltzmann equation (LBE). Sharp interface and diffuse interface models are quantitatively compared face to face indicating the correct limit of applicability of the diffuse interface models.

British Library Electronic Table of Contents (United Kingdom)

Direct visualization of rare earths in @a- and @b-SiAlON unit-cells is performed through Z-contrast imaging technique in an aberration-corrected scanning transmission electron microscope. The preferential occupation of Yb and Ce atoms in different interstitial locations of @b-SiAlON lattice is demonstrated, yielding higher solubility for Yb than Ce. The triangular-like host sites in @a-SiAlON unit cell accommodate more Ce atoms than hexagonal sites in @b-SiAlON. We think that our results will be applicable as guidelines for many kinds of rare-earth-doped materials.

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The Ludwig-Soret effect, the migration of a species due to a temperature gradient, has been extensively studied without a complete picture of its cause emerging. Here we investigate the dynamics of DNA and spherical particles sub jected to a thermal gradient using a combination of Brownian dynamics and the lattice Boltzmann method. We observe that the DNA molecules will migrate to colder regions of the channel, an observation also made in the experiments of Duhr, et al[1]. In fact, the thermal diffusion coefficient found agrees quantitatively with the experimental value. We also observe that the thermal diffusion coefficient decreases as the radius of the studied spherical particles increases. Furthermore, we observe that the thermal fluctuations-fluid momentum flux coupling induces a gradient in the stress which leads to thermal migration in both systems.

International Nuclear Information System (INIS)

The potential use of uranium in the field of catalysis is presented in the first part of this paper. Numerous applications of uranium binary oxides, as well as mixed oxides, are reviewed with a special emphasis on the role of U-Sb-O catalysts in selective oxidation (and ammoxidation) processes. Attempts are made to correlate the electronic structure of uranium, and especially the role that 5f electrons play in bonding, with its promising catalytic properties. In the second part, new data are given for uranium-bismuth mixed oxides in the catalytic oxidation of CO by O_2. Kinetic tests performed in a flow microreactor allow a mechanism to be proposed that involves the direct participation of lattice oxygen of the catalyst in the chemical process (redox mechanism). The high activity can be related to the ability of uranium to change reversibly its oxidation state. (author).

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The ACP Multi-Array Processor System (ACPMAPS) is a highly cost effective, local memory parallel computer designed for floating point intensive grid based problems. The processing nodes of the system are single board array processors based on the FORTRAN and C programmable Weitek XL chip set. The nodes are connected by a network of very high bandwidth 16 port crossbar switches. The architecture is designed to achieve the highest possible cost effectiveness while maintaining a high level of programmability. The primary application of the machine at Fermilab will be lattice gauge theory. The hardware is supported by a transparent site oriented software system called CANOPY which shields theorist users from the underlying node structure. 4 refs., 2 figs.

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There have been many stress measurements on welds by neutron diffraction over the past 20 years but there are still a number of serious experimental issues that are often not addressed. The primary fact is that the microstructure generally changes across the weld and accompanying this may be a change in the concentration of strengthening elements in solution. This will lead to a shift in lattice spacing which may be incorrectly interpreted as a strain. Secondly, a gradient of plastic deformation near the weld may be expected. Since plastic deformation by application of a stress always generates intergranular (type-2) strains this may lead to a range of intergranular effects superposed on the conventional weld-related strains. The effects are illustrated by neutron diffraction studies of Zr-4, ferritic and austenitic welds where chemistry, intergranular effects and crystallographic texture can all play a role.

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A number of different theoretical approaches have been used to model to atomic structure and properties of solid-liquid interfaces. Most calculations indicate that ordering occurs in the first several layers of the liquid, adjacent to the crystal surface. In contrast to the numerous theoretical investigations, there have been no direct experimental observations of the atomic structure of a solid-liquid interface for comparison. Saka et al. examined solid-liquid interfaces in In and In-Sb at lattice-fringe resolution in the TEM, but their data do not reveal information about the atomic structure of the liquid phase. The purpose of this study is to determine the atomic structure of a solid-liquid interface using a highly viscous supercooled liquid, i.e., a crystal-amorphous interface.

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Heusler films with L2_1 and B2 structure are deposited simultaneously on amorphous carbon films, Si(100) surfaces, and in situ cleaved InAs(110) surfaces by coevaporation of Ni and the alloy MnIn. Morphology, structure, and stoichiometry are investigated with transmission-electron microscopy, electron diffraction, and X-ray spectroscopy. The almost perfect lattice match supports highly oriented growth of Ni_2MnIn on InAs, which is proven by electron diffraction under grazing incidence. The electrical resistivity of thin films on Si show metallic behavior. At temperatures of liquid helium point-contact Andreev reflection spectroscopy is performed on films grown on Si(100) and in situ cleaved InAs(110) surfaces yielding spin polarizations comparable to the ones of Fe, Ni, Co, and permalloy (Ni_8_0Fe_2_0).

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We introduce a novel scheme for one-way quantum computing (QC) based on the use of information encoded qubits in an effective cluster state resource. With the correct encoding structure, we show that it is possible to protect the entangled resource from phase damping decoherence, where the effective cluster state can be described as residing in a decoherence-free subspace (DFS) of its supporting quantum system. One-way QC then requires either single or two-qubit adaptive measurements. As an example where this proposal can be realized, we describe an optical lattice set-up where the scheme provides robust quantum information processing. We also outline how one can adapt the model to provide protection from other types of decoherence.

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The Offshore Comet is a modern offshore drilling rig with a hydraulic-cylinder-actuated jacking (raising and lowering) system. Hydraulic-cylinder jacking provides a safe and efficient method for placing the rig at the desired height above the water and insuring that it can withstand the expected heavy loads imposed by machinery, supplies, and the ocean environment. The drilling rig consists of a steel-hulled barge that is floated to the site and then supported during drilling operations by four steel triangular-cross-section lattice legs. The legs are planted firmly on the ocean bottom by a procedure called preloading. Each leg with its integral footing weighs 657 tons. The barge with its deck load can weigh up to 9200 tons.

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The effect of high energy neutron (E greater than 1 MeV) irradiation at 60"0C on the superconducting critical temperature, T/sub c/, the upper critical field, H/sub c2/, the lattice parameter, a_0, and the degree of Long Range Order has been measured for Nb and V based A-15 superconducting compounds. Large reductions in T/sub c/"0 and H/sub c2/ are observed for fluences up to 5.0 x 10"1"9 n/cm"2. For Nb_3Al, a_0 increases and the degree of Long Range Order is significantly reduced as T/sub c/ is depressed. Results are discussed in terms of atomic ordering in the A-15 structure.

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The microstructure evolution of nine samples from three Ir-base ternary systems, Ir-Nb-Hf, Ir-Nb-Ta, and Ir-Nb-Ti, was investigated by microstructure observation using scanning electron microscopy (SEM), composition map-analysis using electron probe microscopy analysis (EPMA), and phase determination using X-ray diffraction (XRD) patterns. The fcc/L1{sub 2} two-phase structure was detected in all the samples. Lattice misfits between fcc and L1{sub 2} phases were calculated. Ir-Nb-Ta and Ir-Nb-Ti alloys exhibited a microstructure quite similar to that of Ni-base superalloys, and the cuboidal L1{sub 2} precipitates in Ir-Nb-Ta and Ir-Nb-Ti alloys could maintain up to 1900 {sup o}C.

International Nuclear Information System (INIS)

Anthracene-bis-resorcinol is an interesting molecule as it forms a hydrogen-bonded network when guest molecules with weak polarity are included. Focused ion beam (FIB) was irradiated on a part of its amorphous film with low dose, and the film was exposed to the vapor of guest molecules. From fluorescence and AFM analyses of this film, it was found that no inclusion compound was formed in FIB irradiated area, i.e. FIB irradiation suppresses the ability to form the inclusion compounds. By utilizing this phenomenon, we succeeded in a microfabrication of relief structures consisting of inclusion compounds which has different fluorescence from its surrounding. Morphology, fluorescence, and IR absorption analyses indicated that hydroxyl or resorcin groups are damaged by ion beams, and consequently a formation of hydrogen-bonded networks, which play a role of a lattice caging guest molecules, becomes impossible.

Science.gov (United States)

Ni-free shape memory alloys are promising functional materials for medical applications. A newly developed Ti-Mo based shape memory alloy shows superelasticity after thermomechanical treatment. However, the microstructure evolution and precipitation during thermomechanical processes are still not well understood. In the present paper, compressive deformation behavior at a series of temperatures of 298K - 973K and tensile deformation behavior of the alloy after aged at 573K - 973K have been investigated systematically. It is found that the compressive yield stress and ultimate compressive strength change with the deformation temperature. The ultimate tensile strength and yield stress of aged specimens also change with the aging temperature following a non-linear relationship. Microstructures of aged specimens as well as effects of lattice softening and aging-induced precipitates on the deformation behavior have been investigated and discussed.

British Library Electronic Table of Contents (United Kingdom)

In this study structural and magnetic character of the expanded austenite phase (gN) layer formed on a medical grade CoCrMo alloy by a low-pressure Radio-Frequency plasma nitriding process was investigated. The formation of the expanded austenite phase is facilitated at a substrate temperature near 400^oC for 1, 2, 4, 6 and 20h under a gas mixture of 60% N2-40% H2. The magnetic state of the gN layers was determined by a surface sensitive technique, magneto-optic Kerr effect (MOKE), and with a scanning probe microscope in magnetic force mode (MFM). Strong evidence for the ferromagnetic nature of the gN-(Co,Cr,Mo) phase is provided by the observation of stripe domain structures and the hysteresis loops. The ferromagnetic state for the gN phase observed here is mainly linked to large lattice ...

British Library Electronic Table of Contents (United Kingdom)

The cephalosporin class antibacterial agent, cefazolin, was intercalated into layered double hydroxides (LDHs) in order to improve the drug efficiency as well as to achieve the controlled release property. Cefazolin molecules were incorporated into LDH through conventional ion exchange reaction. X-ray diffraction pattern analyses confirmed that cefazolin molecules were intercalated between the interlayer spaces of LDH. Fourier-transform infrared spectra and high performance liquid chromatographs clearly showed that the drug molecules were stabilized in LDH lattice through electrostatic interaction and released without any changes in their chemical integrity. Antibacterial activity of the cefazolin-LDH nanohybrid was also examined by an in vitro test, such as the minimal inhibitory concentr...

International Nuclear Information System (INIS)

Silicon layered structures containing porous silicon modified with various thermal treatments and epitaxial layers deposited on porous layers were studied with a number of complementary X-ray diffraction methods using synchrotron source. The methods of characterization included recording of rocking curves for reflections with various asymmetry as well as projection, section and micro-Laue topography. It was found that oxidizing and sintering of porous silicon seriously modified the strains in the porous layer and in some cases even inverting the sense of strain with respect to that in initially formed porous layer. Consequently the deposited epitaxial layer usually was not laterally coherent with the substrate. Some of investigated layers were not stable in time and after few months period exhibited significant lost of coherence of porous skeleton. (author)

Energy Technology Data Exchange (ETDEWEB)

The development of a twinned microstructure in hexagonal close-packed rolled magnesium compressed in the in-plane direction has been monitored in situ with neutron diffraction. The continuous conversion of the parent to daughter microstructure is tracked through the variation of diffraction peak intensities corresponding to each. Approximately 80% of the parent microstructure twins by 8% compression. Elastic lattice strain measurements indicate that the stress in the newly formed twins (daughters) is relaxed relative to the stress field in the surrounding matrix. However, since the daughters are in a plastically 'hard' deformation orientation, they quickly accumulate elastic strain as surrounding grains deform plastically. Polycrystal modeling of the deformation process provides insight about the crystallographic deformation mechanism involved.