International Nuclear Information System (INIS)

The crystal structure, lattice strain due to the antiferromagnetic ordering, and magnetic form factor in the itinerant 5f compounds UTGa_5 (T=Ni, Pd, Pt) have been studied by neutron scattering. High-resolution powder diffraction revealed that the tetragonality of the U-Ga layers increases down to the series of the transition metal element T. The integrated intensities of the antiferromagnetic reflections can be well explained with the Neel-type structure for UNiGa_5, whereas UPtGa_5 has the antiferromagnetic stacking of the ferromagnetically ordered uranium moments in the c plane. In both compounds the uranium moments orient along the c axis with moments of 0.75(5) and 0.32(5) #mu#_B for UNiGa_5 and UPtGa_5, respectively. No magnetic peak could be observed in the powder diffraction pattern of UPdGa_5 due to the small magnetic moment less than the experimental sensitivity. The orbital contributions in ...

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 ...

CERN Document Server

One of the most active areas of physics in the last decades has been that of critical phenomena, and Monte Carlo simulations have played an important role as a guide for the validation and prediction of system properties close to the critical points. The kind of phase transitions occurring for the Betts lattice (lattice constructed removing 1/7 of the sites from the triangular lattice) have been studied before with the Potts model for the values q=3, ferromagnetic and antiferromagnetic regime. Here, we add up to this research line the ferromagnetic case for q=4 and 5. In the first case, the critical exponents are estimated for the second order transition, whereas for the latter case the histogram method is applied for the occurring first order transition. Additionally, Domany's Monte Carlo based clustering technique mainly used to group genes similar in their expression levels is reviewed. Finally, a ...

International Nuclear Information System (INIS)

Magnetization of R_2CuO_4 (R=Y, Dy, Ho, Er, Tm) crystallizing in the Nd_2CuO_4-type (T') structure has been measured between 4 and 300 K. In Y_2CuO_4 antiferromagnetic ordering of Cu"2"+ spins at 260 K has been detected clearly, without being interfered with by the paramagnetic contribution of rare-earth elements as in the other compositions. Weak ferromagnetic behavior with a moment of 9x10"-"4 #mu#_B/Cu accompanies the antiferromagnetic transition. Dy"3"+, Ho"3"+, Er"3"+, and Tm"3"+ ions obey the Curie-Weiss law at relatively high temperatures, and the effective moments are in good agreement with the values anticipated from their lowest multiplet levels. Various types of deviations from the law occur at low temperatures. Specifically, a sharp kink possibly suggesting antiferromagnetic ordering of the Dy"3"+ moments has been found at 7 K. Anomalies around 200 K for Ho_2CuO_4 and Er_2CuO_4 reflect the weak ferromagnetic ...

Science.gov (United States)

We present evidence for the creation of an exchange spring in an antiferromagnet due to exchange coupling to a ferromagnet. X-ray magnetic linear dichroism spectroscopy on single crystal Co/NiO(001) shows that a partial domain wall is wound up at the surface of the antiferromagnet when the adjacent ferromagnet is rotated by a magnetic field. We determine the interface exchange stiffness and the antiferromagnetic domain wall energy from the field dependence of the direction of the antiferromagnetic axis, the antiferromagnetic pendant to a ferromagnetic hysteresis loop. The existence of a planar antiferromagnetic domain wall, proven by our measurement, is a key assumption of most exchange bias models.

Energy Technology Data Exchange (ETDEWEB)

Two examples of heavy-fermion systems are presented : CePd{sub 2}Si{sub 2}, an antiferromagnet with a quantum critical point at P{sub C}=28 kbar and UGe{sub 2} an itinerant ferromagnet which transits in a paramagnetic phase above P{sub C}=16 kbar. In CePd{sub 2}Si{sub 2} the superconductivity domain is centered on P{sub C}. Special attention was given to the superconducting and magnetic anomalies at their superconducting and Neel temperatures. In UGe{sub 2} superconductivity appears in 9 kbar at a temperature T{sub S}, more than two orders of magnitude lower than the Curie temperature; furthermore, it occurs only on the magnetic border (P<P{sub C}). Another characteristic temperature T{sub X} is detected by resistivity; the zigzag uranium chain of the lattice may favor a supplementary nesting in the majority spin band.

CERN Document Server

We report $^{7}$Li pulsed NMR measurements in polycrystalline and single crystal samples of the quasi one-dimensional S=1 antiferromagnet LiVGe$_2$O$_6$, whose AF transition temperature is $T_{\\text{N}}\\simeq 24.5$ K. The field ($B_0$) and temperature ($T$) ranges covered were 9-44.5 T and 1.7-300 K respectively. The measurements included NMR spectra, the spin-lattice relaxation rate ($T_1^{-1}$), and the spin-phase relaxation rate ($T_2^{-1}$), often as a function of the orientation of the field relative to the crystal axes. The spectra indicate an AF magnetic structure consistent with that obtained from neutron diffraction measurements, but with the moments aligned parallel to the c-axis. The spectra also provide the $T$-dependence of the AF order parameter and show that the transition is either second order or weakly first order. Both the spectra and the $T_1^{-1}$ data show that $B_0$ has at most a small effect on the alignment of the AF ...

International Nuclear Information System (INIS)

Hybrid density functionals, which replace a fraction of density functional theory (DFT) exchange with exact Hartree-Fock (HF) exchange, have been used to study the structural, magnetic, and electronic properties of #delta#-Pu. The fraction of exact Hartree-Fock exchange used were 25%, 40%, and 55%. Compared to the pure PBE functional, the lattice constants expanded with respect to the experimental value when the PBE-HF hybrid functionals were applied. For pure PBE and hybrid functionals with HF exchanges amounts of 25% and 40%, the ground state structure was anti-ferromagnetic, while for 55% HF contribution the ground state was non-magnetic. The 5f electrons tend to exhibit slight delocalization of itinerancy for the pure PBE functional and well-defined localization for the hybrid functionals, with the degree of 5f electron localization increasing with the amount of HF exchange. Overall, the performance of the hybrid density functionals does ...

British Library Electronic Table of Contents (United Kingdom)

The interlayer exchange coupling between Co/Pt perpendicular-to-plane magnetized layers across a thin IrMn spacer layer was experimentally studied. In contrast to earlier studies on interlayer coupling through antiferromagnetic NiO, which revealed an oscillatory coupling behavior as a function of NiO thickness, a ferromagnetic coupling was observed here in the range of IrMn thickness between 0.6 and 1.5nm and antiferromagnetic between 1.5 and 2.5nm. The antiferromagnetic coupling is attributed to an orange peel magnetostatic mechanism whereas the ferromagnetic coupling is attributed to an out-of-plane polarization of the antiferromagnetic IrMn layer induced by the interfacial exchange interaction with the adjacent out-of-plane ferromagnetic layers. Measurements of hysteresis loops versus t...

Energy Technology Data Exchange (ETDEWEB)

We have used the unique spatial sensitivity of polarized neutron and soft x-ray beams in reflection geometry to measure the depth dependence of magnetization across the interface between a ferromagnet and antiferromagnet. The new uncompensated magnetization near the interface responds to applied field, while the uncompensated spins in the antiferromagnetic bulk are pinned, thus providing a means to establish exchange bias.

International Nuclear Information System (INIS)

The series of cubic pyrochlore structure compounds, R_2Mo_2O_7 (R = Nd-Yb, Y; R not= Eu), were prepared as single phase materials by solid state reaction between R_2O_3 and MoO_2 at 1400 "0C in a CO/CO_2 = 1 buffer gas atmosphere. Lattice constants obtained from X-ray powder data compare well with results from previous studies. Magnetic susceptibility and magnetization data were obtained for all samples between 300 K and 4.2 K (700 K for R = Gd) and a range of applied fields. For R = Nd, Sm, and Gd magnetic ordering is observed at 97 K, 93 K and 83 K respectively which is assigned to ferromagnetism on the Mo(IV) sublattice. The Mo(IV) moment in the ordered state is about 1 #mu#/sub B/. At low temperatures, the Gd(III) and Mo(IV) moments are apparently coupled feromagnetically in Gd_2Mo_2O_7 yet the high temperature susceptibility data seem to indicate a ferrimagnetic (antiparallel) Gd(III)-Mo(IV) coupling. The low-temperature magnetic properties of Nd_2Mo_2O_7 and ...

International Nuclear Information System (INIS)

An overview on neutron scattering studies of ferromagnetic and antiferromagnetic all-semiconductor superlattices is presented. Diffraction experiments on MnTe/CdTe, MnTe/ZnTe and EuTe/PbTe superlattices show pronounced correlations between the MnTe and EuTe layers across the non-magnetic spaces, even though these layers are antiferromagnetic and the systems are nearly-insulating. Current theory status of these systems is discussed. Diffractometry and reflectometry data from EuS/PbS superlattices reveal pronounced antiferromagnetic coupling between the ferromagnetic EuS block. First polarized neutron reflectometry data from superlattices prepared of a novel ferromagnetic 'spintronics' material, Ga(Mn)As are also presented. (author)

CERN Document Server

The work identifies the first lattice decoding solution that achieves, in the general outage-limited MIMO setting and in the high-rate and high-SNR limit, both a vanishing gap to the error-performance of the (DMT optimal) exact solution of preprocessed lattice decoding, as well as a computational complexity that is subexponential in the number of codeword bits. The proposed solution employs lattice reduction (LR)-aided regularized (lattice) sphere decoding and proper timeout policies. These performance and complexity guarantees hold for most MIMO scenarios, all reasonable fading statistics, all channel dimensions and all full-rate lattice codes. In sharp contrast to the above manageable complexity, the complexity of other standard preprocessed lattice decoding solutions is shown here to be extremely high. Specifically the work is first to quantify the complexity ...

International Nuclear Information System (INIS)

The results obtained from the magnetization, specific heat and electrical resistivity measurements on a polycrystalline sample of Pr_2Pd_3Si_5 are reported. The temperature dependence of magnetic susceptibility at low field (0.01 T) exhibits pronounced anomaly below 7 K due to antiferromagnetic ordering. The electrical resistivity and specific heat data also exhibit sharp transition at 6.6 K evidencing the onset of antiferromagnetic order. A fit to the electrical resistivity data below 6 K suggests the presence of an energy gap in magnon spectrum in the ordered state. (author)

International Nuclear Information System (INIS)

... 2007, 80 ?. 5. ?????? ?.?. Visual Basic-6.0, ??????, 2000, 449 ?. ????

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

KoreaScience (Korea)

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DC resistivity, dc magnetization, and specific heat of eight Sc{sub 5}Co{sub 4}Ge{sub 10}-type crystal-structure compounds R{sub 5}T{sub 4}Ge{sub 10} for R = Dy, Ho, Er, Tm, and T = Rh and Ir are presented. The resistivity, single-crystal magnetization, and specific-heat results show that in all those compounds, the magnetic moments order antiferromagnetically in the c direction at low temperature. However, in the Er and Tm compounds, the magnetizations along x-y hard directions do not show any anomalies above 2.0 K. This suggests that the ordered Er and Tm ions, which have positive quadrupole coefficients, interact with a crystal field that has an electronic potential valley along the c axis. The fitting of the hard axis magnetizations to Curie-Weiss law suggests that the resulting antiferromagnetic-like {theta} reflects the strength of the crystal-field torque on the magnetic moments rather than the strength of ...

Energy Technology Data Exchange (ETDEWEB)

Magnetic coupling between two or more metal centers is an important facet of d- and f-block transition metal chemistry due to its implications in chemical bonding. With respect to actinide metals, magnetic coupling between polymetallic actinide centers is less well-known. Of the few documented examples, only one bimetallic uranium(V) complex, [(MeC{sub 5}H{sub 4}){sub 2}U]{sub 2}[{mu}-1,4-N{sub 2}C{sub 6}H{sub 4}] (1), has unequivocally demonstrated antiferromagnetic coupling. This complex employs a {pi}-conjugated 1,4-phenylenedimide ligand system which bridges the two f{sup 1}-metal centers and enables antiferromagentic coupling between unpaired f-e1ectrons residing in a {pi}-symmetry orbital. In this communication, we report the synthesis of a dimeric bis(imido) uranium(V) iodide complex and demonstrate with magnetic susceptibility measurements and density functional theory (DFT) calculations that the f{sup 1}-uranium centers display ...

International Nuclear Information System (INIS)

We consider the integrable structure of the quantum lattice W_N algebras. We introduce the ultralocal Lax matrix, and show that the Yang-Baxter relation is satisfied with a Z_N invariant R-matrix. (orig.).

International Nuclear Information System (INIS)

... spin-lattice relaxation angular momentum electronic circuits magnetic

International Nuclear Information System (INIS)

Magnetic properties of polycrystalline samples of RPd_2Si compounds (R = Gd, Tb, Dy, Ho and Er) are presented. The Gd and Tb based compounds are antiferromagnetic with Neel temperatures of 13.5 and 21 K respectively. For both compounds a metamagnetic transition is observed in low field. Moreover, in TbPd_2Si a transition between two different antiferromagnetic phases is observed at 8.5 K. The Dy, Ho and Er based compounds are ferromagnetic with Curie temperatures of 9, 3.5 ad 2.8 K respectively. The observed properties result from indirect exchange interactions and crystal field effects acting on rare earth ions which lie in a very low symmetry site. (author).

International Nuclear Information System (INIS)

By using a variational Monte Carlo method, we examine an effective low-energy model for LaFeAsO derived from an ab initio downfolding scheme. We show that quantum and many-body fluctuations near the antiferromagnetic (AF) quantum critical point largely reduce the antiferromagnetic ordered moment. Our derived model not only quantitatively reproduces the small ordered moment in LaFeAsO, but also accounts for the diversity from LaFePO, BaFe_2As_2 to FeTe. Electron correlation is found to determine the observed material dependence. We also find that LaFeAsO is subject to large orbital fluctuations, sandwiched by the AF Mott insulator and weakly correlated metals. The orbital fluctuations and Dirac-cone dispersion hold keys for the diverse magnetic properties. (author)

Energy Technology Data Exchange (ETDEWEB)

A renormalization procedure is proposed which applies to lattice Feynman integrals containing zero-mass propagators and is analogous to the BPHZL renormalization procedure for continuum Feynman integrals. The renormalized diagrams are infrared convergent for non-exceptional external momenta, if the vertices of the theory satisfy a general infrared constraint. Under the same conditions as in the massive case, the continuum limit of the renormalized theory exists and is independent of the details of the lattice action.

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.

International Nuclear Information System (INIS)

A triangular antiferromagnet UNi_4B experiences a partially disordered state, in which two-thirds of U 5f moments order in a vertex-like structure and one-third of U 5f moments remain paramagnetic. Magnetization and NMR measurements of UNi_4B have been performed to study the dynamical properties of U magnetic moments in the partially disordered state. The value of the effective moment above T_N derived from the fitting of the Curie-Weiss law suggests a significant crystal field splitting and the Kondo effect. The Weiss temperature was also estimated to be -28 K, which suggests that the exchange interaction is antiferromagnetic. Furthermore, the exchange interaction estimated from the relaxation rate T_1"-"1 above 50 K is 18 K, which is close to the Weiss temperature. These results suggest that the dominant interactions between U moments are antiferromagnetic in the basal plane. The relaxation rate T_1"-"1 decreases abruptly ...

International Nuclear Information System (INIS)

The magnetic excitations of the Kondo compound CePd_2Si_2 below its Neel temperature (T_N = 10 K) have been studied by inelastic neutron scattering. At T = 1.6 K the data are best represented by two dispersive inelastic modes. Their linewidth (#propor to# 0.5 meV) indicates substantial broadening, which is ascribed to Kondo-type local fluctuations. (orig.).

International Nuclear Information System (INIS)

It has been shown that mechanical milling of iron in water results in formation of nanocrystalline magnetite Fe3O4 with an average particle size of 0.6 ?m, saturation magnetization of 77 Am2/kg and coercivity of ?150 A/cm. Along with magnetite, an antiferromagnetic Fe-O phase (?10 wt%), which is an aggregate of small iron-oxygen clusters forms.

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.)

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

We report on the specific heat and the thermopower of UPdSn and UCuSn, both of which order antiferromagnetically at low temperatures. The compounds show similar behaviour in the specific heat, and the large magnetic-entropy changes around T_N are evidence for a large degree of 5f-electron localization. For both compounds, we find that thermopower results are consistent with the findings for the electrical resistance. While for UCuSn very abrupt changes at 25 and 60 K are observed for both quantities, more continuous changes at the magnetic transitions (25 and 40 K) are found for UPdSn. (orig.).

Energy Technology Data Exchange (ETDEWEB)

Magnetic fluctuations present in the paramagnetic Mn{sub 0.81}Ni{sub 0.19} system have been investigated by measuring inelastic magnetic neutron scattering from a single crystal at temperatures of 450, 585 and 700 K. Antiferromagnetic correlations are observed to be present at all the temperatures studied. The spectral width of the magnetic scattering has been observed to increase with temperature, while the spatial range of the magnetic correlations is seen to decrease as the temperature is raised. The wave-vector-dependent susceptibility is found to follow a Curie-Weiss law near the (1 0 0) position, in agreement with theoretical predictions.

Energy Technology Data Exchange (ETDEWEB)

Single Fe impurities were implanted in an Er single crystal and found to occupy both substitutional and interstitial sites, below a temperature of 200 K. The local susceptibility of Fe on both sites follows a Curie-Weiss law and exhibits a positive local Curie constant, indicating an antiferromagnetic coupling between the Fe and the surrounding Er moments. The corresponding nuclear spin relaxation rates follow a Korringa law as a function of temperature, confirming the dominance of local magnetism and the formation of local moments on each of the sites occupied by Fe.

Energy Technology Data Exchange (ETDEWEB)

Strong perpendicular anisotropy systems consisting of Co/Pt multilayer stacks that are antiferromagnetically coupled via thin Ru or NiO layers have been used as model systems to study the competition between local interlayer exchange and long-range dipolar interactions [1,2]. Magnetic Force Microscopy (MFM) studies of such systems reveal complex magnetic configurations with a mix of antiferromagnetic (AF) and ferromagnetic (FM) phases. However, MFM allows detecting surface stray fields only and can interact strongly with the magnetic structure of the sample, thus altering the original domain configuration of interest [3,4]. In the current study they combine magnetometry and state-of-the-art soft X-ray transmission microscopy (MXTM) to investigate the external field driven FM phase evolution originating from the domain boundaries in such antiferromagnetically coupled perpendicular anisotropy films. MXTM allows directly ...

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.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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].

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.

Energy Technology Data Exchange (ETDEWEB)

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 ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

The magnetic ordering temperature of some rare-earth-based heavy-fermion compounds is strongly pressure dependent and can be completely suppressed at a critical pressure, p_c, making way for novel correlated electron states close to this quantum critical point. We have studied the clean heavy-fermion antiferromagnets CePd_2Si_2 and CeIn_3 in a series of resistivity measurements at high pressures up to 3.2 GPa and down to temperatures in the mK region. In both materials, superconductivity appears in a small window of a few tenths of a GPa on either side of p_c. We present detailed measurements of the superconducting and magnetic temperature-pressure phase diagram, which indicate that superconductivity in these materials is enhanced, rather than suppressed, by the closeness to magnetic order. (author)

International Nuclear Information System (INIS)

Potassium clusters arrayed in zeolite A are known to show ferromagnetic properties at low temperature. The origin of the spontaneous magnetization has been explained by a model of spin-canting in an antiferromagnetically ordered state. The direct information for the magnetic structure, however, has not been obtained so far. In the present work, we measure the neutron powder diffraction by using pulsed neutron source at KEK-KENS below and above the Curie temperature. No significant temperature-dependence was, however, obtained within the statistical errors, namely, magnetic scattering could not be detected separately. We also estimate the intensity of magnetic scattering by assuming some possible magnetic structures with considering the magnetic form factor of the cluster wave function. The intensity of magnetic scattering is estimated to be extremely weak and higher S/N of ?104 or more is required to detect the magnetic scattering of this material.

Energy Technology Data Exchange (ETDEWEB)

The compound GdPd{sub 2}Si, which is reported to order antiferromagnetically at 13 K, has been investigated by heat capacity and electrical resistivity measurement in the presence of external magnetic fields. In contrast to an earlier report, the zero-field heat capacity and resistivity data indicate two magnetic transitions at 13 and 17 K. The external magnetic field substantially influences the resistivity and heat capacity of the compound around the magnetic ordering temperature. The magnetocaloric effect, which is calculated from in-field heat capacity data, is quite large around the magnetic transition temperature. The magnetoresistance is also large near the magnetic ordering temperature. The metamagnetic transition is observed for 10 kOe magnetic field both in magnetocaloric and in magnetoresistance data. The metamagnetic transition strongly influences the magnetocaloric effect and magnetoresistance, which is large in this compound. (author). ...

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Magnetization data of single crystalline La{sub 4}Sr{sub 10}Cu{sub 24}O{sub 41} are presented. In this compound, doped spin chains and undoped spin ladders are realized. The magnetization, at low temperatures, is governed by the chain subsystem with a finite interchain coupling which leads to short range antiferromagnetic spin correlations. At higher temperatures, the response of the chains can be estimated in terms of a Curie-Weiss law. For the ladders, we apply the low temperature approximation for a S = 1/2 2-leg spin ladder.

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The cross-over from a magnetically ordered to a non-magnetic spin liquid state has been investigated in a series of resistance measurements under hydrostatic pressures of up to 30 kbar and at temperatures down to below 200 mK in the heavy fermion antiferromagnet CePd{sub 2}Si{sub 2}. The electrical resistivity changes dramatically with increasing pressure. Near the critical pressure, at which the magnetic ordering temperature is extrapolated to zero, it exhibits a quasi-linear variation over two orders of magnitude in temperature. This non-Fermi liquid form of {rho}(T) extends down to the onset of a new superconducting transition below 430 mK. (orig.).

CERN Document Server

The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing the augmented plane wave plus local orbital (APW+lo) method. We investigated the dependence of the nuclear quadruple interactions to the magnetic structure in USb2 compound. The investigation were performed applying the so called band correlated LDA+U theory self consistently. The self consistent LDA+U calculations were gradually added to the performed generalized gradient approximation (GGA) including scalar relativistic spin orbit interactions in a second variation scheme. The result, which is in agreement with experiment, shows that the 5f-electrons have the tendency to be hybridized with the conduction electrons in the ferromagnetic uranium planes.

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The work in the past year has primarily involved four areas of magnetic thin films: amorphous rare earth-transition metal alloys, epitaxial CoPt{sub 3} and Ni-Pt alloy thin films, amorphous rare earth doped Si (a new class of dilute magnetic semiconductor with large negative magnetoresistance which the authors have discovered), and exchange-coupled antiferromagnetic insulators. In the amorphous alloys, they made a systematic study of the effects of local anisotropy, macroscopic (perpendicular) anisotropy, and exchange constant on the fundamental (and practical) properties of these magnetic alloys, as originally described in the grant proposal. The work on the epitaxial Co-Pt (and more recently Ni-Pt) alloys was originally undertaken as a comparison study to the amorphous alloys. Crystalline Co-Pt alloys have many striking similarities to the amorphous rare earth-transition metal alloys: perpendicular magnetic anisotropy, magneto-optic activity, and a {Tc} (for ...

International Nuclear Information System (INIS)

Iron doped semiconducting nanoparticles Sn1-xFexO2 with x=0, 0.001, 0.002, 0.003, 0.004, 0.01 and 0.03 were prepared by a sol-gel method. The X-ray diffraction, Transmission Electron Microscopy measurements confirm the rutile structure with no impurity phase. The three characteristic lines of electron spin resonance (ESR) are observed in the doped samples for all compositions, which is a clear evidence for rhombic Fe3+ in rutile phase. The line width of ESR increases with increase in Fe concentration due to induced disorder. The spin-pumping effect is observed at temperatures below 250 K for the samples with x=0.01 and 0.03. However, based on the Curie-Weiss susceptibility, iron is in paramagnetic state and is subject to weak antiferromagnetic interaction. Blue shift in the optical band gap is observed with increase in the Fe content. -- Graphical abstract: The ESR spectra reveal that the nature of Fe in Sn1-xFexO2 samples is isolated rhombic Fe3+-ion in rutile ...

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 ...

International Nuclear Information System (INIS)

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"1"/"2"+(1440)) and S_1_1 (N"1"/"2"-(1535)). This is seen for the first time in a lattice QCD calculation. These results are obtained on a quenched Iwasaki 16"3x28 lattice with a=0.2 fm. We also extract the ghost #eta#"'N states (a quenched artifact) which are shown to decouple from the nucleon interpolation field above m_#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.

International Nuclear Information System (INIS)

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"1"/"2"+ (1440)) and S_1_1 (N"1"/"2"-(1535)). This is seen for the first time in a lattice QCD calculation. These results are obtained on a quenched Iwasaki 16"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_#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.

International Nuclear Information System (INIS)

The effects of neutron irradiation on the superconducting and normal state properties of alloys and compounds are presented. Particular emphasis is placed on the A-15 compounds where the effects of neutron irradiation on Tsub(c), Hsub(c_2), long range order parameter and lattice parameter are described. Large depressions (up to 80%) in Tsub(c) are observed for all the A-15 compounds studied with the exception of Mo_3Os where much smaller decreases in Tsub(c) are seen. Along with the decrease in Tsub(c) and increase in lattice parameter, the degree of long range order, as measured by X-ray and neutron diffraction, decreases. Also presented are the results of isothermal and isochronal anneals up to 900"0C. The unirradiated value of Tsub(c) can be restored by annealing, and for those systems where measurements have been made, recovery of the lattice parameter and order parameter also takes place. The effects observed in ...

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The Green-Chasman lattice, which is the basis for both NSLS storage rings, was conceived with insertion devices in mind. Long, field-free straight sections were provided in the design. The electron optics were chosen so that these sections had zero dispersion and the effects of new magnetic structures placed in these regions would have minimal effect on the emittance of the electron beam. This design concept has been followed by all high-brightness rings which were built subsequent to the NSLS. The X-Ray Ring straight sections also have a very small vertical {beta} function, in addition to the zero dispersion. This was done to optimize the brightness of wiggler sources. There is a further benefit however. The {beta} function determines the beam size and divergence at a particular point in the storage ring lattice. The size is proportional to {radical}{beta} and the divergence is proportional to 1/{radical}{beta}. Thus the electron beam is very ...

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The distribution of activation energies ..delta.. for classical over-the-barrier hopping is computed for a model amorphous metal. The spread in ..delta.. is determined by the variation in equilibrium-site and saddle-point sizes for the assumed model of dense random packing (DRP) of soft spheres. The size distribution is related to the radial distribution function in a manner which reproduces recent numerical results for the interstitials in DRP models. Size (distance) variation in general is related to energy variation by the form of the potential energy V(r). We show, however, that the distribution of equilibrium-site energies can be related directly to the impurity-induced lattice expansion and bulk modulus without detailed knowledge of V(r). The form of V(r) is necessary for the saddle-point distribution, and we estimate this using simple analytic expressions which fit the observed lattice expansion and impurity (hydrogen) vibrational ...

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Quaternary semiconductor compounds are ideal candidates for use in monolithic cascade solar cells because the lattice constant and the bandgap of such compounds can be independently varied. The quaternary semiconductor compound Ga[sub 0.83]In[sub 0.17]As[sub 0.67]P[sub 0.33] not only is lattice matched to GaAs and Ge but also provides a current matched top cell for the GaInAsP/Ge monolithic cascade solar cell. Under concentration of 100 suns, the projected efficiency for such a cell is about 34%. The growth of Ga[sub 0.83]In[sub 0.17]As[sub 0.67]P[sub 0.33] lattice matched to GaAs and Ge has been demonstrated. GaInAsP solar cells have been grown on both GaAs and Ge substrates. A GaInAsP on GaAs solar cell with an active area efficiency of 23.2% for 1 sun, AM 1.5 direct illumination has been prepared. A proposed structure for the GaInAsP/Ge cascade cell is also given.

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

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 is seen to be ...

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The use of solvating polymers of polyether type is an interesting solution for the manufacturing of high capacity lithium batteries with lithium metal anodes and which can operate at T > 50 deg. C. These operating conditions are perfectly compatible with electric-powered vehicle and stationary battery applications. In order to improve the ionic conductivity of polymer electrolytes, new aprotic and amorphous polyether lattices have been synthesized having a good conductivity but also good thermal, mechanical and electrochemical stabilities. Two type of 3-D polyether lattices obtained by reticulation of linear pre-polymers have been selected as host polymers: unsaturated poly-condensate and unsaturated co-polyethers. (J.S.) 18 refs.

British Library Electronic Table of Contents (United Kingdom)

A two-dimensional (2D) lattice model with anisotropic resonant microstructures is found to provide an anisotropic band gap structure. A 2D continuum with anisotropic effective mass density is introduced to represent this lattice system. Two methods are proposed to derive the equivalent continuum. In the first method, the effective mass density of the equivalent continuum is obtained by matching the dispersion relations for harmonic waves propagating in the principal directions. The second approach employs an approximate estimation of the effective mass density by volume-averaging an effective mass that represents the resonant microstructure. For both equivalent continuum models, the effective mass density is frequency-dependent and may become negative in certain frequency ranges. Subsequen...

CERN Document Server

The main topic of this thesis concerns efficient algorithms for the calculation of determinants of the kind of matrix typically encountered in lattice QCD. In particular an efficient method for calculating the fermion determinant is described. Such a calculation is useful to illustrate the effects of light dynamical (virtual) quarks. The methods employed in this thesis are stochastic methods, based on the Lanczos algorithm, which is used for the solution of large, sparse matrix problems via a partial tridiagonalisation of the matrix. Here an implementation is explored which requires less exhaustive treatment of the matrix than previous Lanczos methods. This technique exploits the analogy between the Lanczos tridiagonalisation algorithm and Gaussian quadrature in order to calculate the fermion determinant. A technique for determining a number of the eigenvalues of the matrix is also presented. A demonstration is then given of how one can improve upon this estimate ...

International Nuclear Information System (INIS)

The EXAFS-study (Fe, Sn and Ge K-edges) of disordered by mechanical activation binary supersaturated nanocrystalline solid solutions Fe-Al, Fe-Ge, Fe-Sn and Fe-Si is presented. The EXAFS-spectra are processed by solving the inverse binary problem, using the EXAFS-spectrum of the Fe K-edge only or combining the EXAFS-spectra on two K-edges, Fe and Ge or Fe and Sn. The parameters of partial correlation functions indicate chemical short-range ordering, high local static distortions in the lattice, increasing with metalloid content. The macrostructure of other type is forming through an initial, 'local' stage within the bcc lattice.

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Effect of Al and AlP particles on the microstructure of near eutectic Mn-Si alloy (Mn-30 wt.%Si) was studied by Electron Probe Micro-analyzer (EPMA) and Differential Scanning Calorimeter (DSC). Crystal lattice correspondence analyses show that both Al and AlP have good lattice matching coherence relationships with MnSi phase, and the addition of Al and AlP particles results in an abnormal eutectic structure, i.e. the eutectic constitution MnSi and Mn{sub 5}Si{sub 3} precipitate separately: MnSi precipitates firstly, and then the Mn{sub 5}Si{sub 3} phase.

International Nuclear Information System (INIS)

The influence of irradiation with 2.6 MeV H and He nuclei on the superconducting properties (critical temperature Tsub(c), critical current Isub(c)) of the intermetallic compound Nb_3Sn was studied. Irradiation led to a significant lowering of Tsub(c), while Isub(c) is increasing with the radiation dose. This is assumed to be due to the formation of active pinning centres in the lattice. There is a fast drop of Isub(c) after a peak value has been reached. Annealing of the samples (600-1,000"0C) led to an almost complete recovery of the initial value of Tsub(c). X-ray diffraction showed that irradiation causes considerable distortions of the lattice while the A15 crystal structure is retained. The causes of the radiation effects related to structural defects are discussed. (GSCH).

Energy Technology Data Exchange (ETDEWEB)

With the aim of studying the magnetic properties of reduced-dimensionality magnetic systems we have patterned 250 nm- and 500 nm-size square elements on Fe/NiO layers by 30 keV Ga{sup +} focused ion beam (FIB) milling, varying beam current and pixel dwell time. By high resolution scanning electron microscope (SEM) imaging and atomic force microscopy (AFM) analysis we found that island size decreases from the nominal value by increasing the beam current and features sharpness improves on increasing the dwell time. The top surface of the isolated features has a pronounced edge bending which may be as high as 9 nm with respect to the flat inner area of the island and decreases as dwell time grows. By varying the ion fluence we found that such a shape is related to a surface swelling effect occurring at low ion fluence in the irradiated areas. The swelling-related damage at the edges is expected to influence the magnetic properties of the patterned features.

International Nuclear Information System (INIS)

New rare earth metal rich cadmium compounds RE_4CoCd and RE_4RhCd (RE = Tb, Dy, Ho) were prepared by high-frequency melting of the elements in sealed tantalum tubes. The samples were studied by x-ray powder and single-crystal diffraction. All the compounds crystallize with Gd_4RhIn-type structure, with space group F4-bar3m. The structures are built up from rigid three-dimensional networks of condensed, cobalt (rhodium) centred trigonal RE_6 prisms. The voids left by these networks are filled by Cd_4 cluster units and the coordination number 14 polyhedra of the RE1 atoms. The terbium and dysprosium compounds in both series undergo antiferromagnetic ordering, whereas the holmium compounds exhibit ferromagnetic ordering. The magnetic ordering in these compounds is characterized by broad peaks around the transition temperatures. The results of detailed crystallographic investigations and preliminary magnetic and specific heat studies are presented and discussed in this ...

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We discuss recent results obtained for the heavy-fermion metals UPd{sub 2}Al{sub 3} and YbRh{sub 2}Si{sub 2}. UPd{sub 2}Al{sub 3} is the first among all superconductors for which tunneling and inelastic neutron-scattering data highlight a non-phononic, i.e., magnetic-exciton mediated, pair state. YbRh{sub 2}Si{sub 2} represents a model system exhibiting pronounced non-Fermi liquid effects above a weak antiferromagnetic phase transition at T{sub N}=70 mK. Upon approaching the quantum critical point (T{sub N}{yields}0), by low doping with Ge, one observes for T<0.3 K disparate behavior in the temperature dependences of both the electrical resistivity and the electronic specific heat as well as a Curie-Weiss law in the uniform magnetic susceptibility, implying uncompensated large 4f moments. These observations indicate a break up of the composite quasiparticles into their local f-spin and itinerant conduction-electron parts.

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 ...

Energy Technology Data Exchange (ETDEWEB)

New oxomolybdenum(V) complexes MoOClL (where LH/sub 2/ = Schiff base) derived from ethanolamine and salicylaldehyde, 5-chlorosalicylaldehyde, 5-bromosalicylaldehyde, 5-nitrosalicylaldehyde, 3-ethoxysalicylaldehyde and 2-hydroxy-1-naphthaldehyde have been synthesized and characterised by elemental analyses, conductance, molecular weight, I.R. and electronic spectra and magnetic measurements. The Schiff bases behave as dibasic tridentate ONO donor ligands. The complexes are non-electrolytes and dimers. The complexes exhibit subnormal magnetic moments and are involved in antiferromagnetic exchange with S = 0 ground state. The complexes exhibit electronic spectral bands at ca. 13000 and ca. 17000 cm/sup -1/ due to the transitions dsub(xy)- > dsub(xz,yz) (/sup 2/B/sub 2/- > /sup 2/E) and dsub(xy)- > dsub(x2-y2) (/sup 2/B/sub 2/- > /sup 2/B/sub 1/), respectively. The ..nu..(Mo = O) frequency of the complexes is observed in the 900-970 cm/sup -1/ region. On ...

Energy Technology Data Exchange (ETDEWEB)

Mn{sub 1-x}Fe{sub x}In{sub 2}S{sub 4} spinel compounds (x=0.3, 0.8) were grown by the chemical vapor transport method. The analysis of the X-ray diffraction data suggest that both the compounds crystallize in a cubic structure under the space group Fd3m. The magnetic study done between 300 and 2 K showed a paramagnetic behavior for the intermediate concentration sample x=0.3. A good fitting to the Curie-Weiss law allows us to calculate the paramagnetic Curie temperature. They are negative indicating predominant antiferromagnetic interactions. However, in sample with high Fe concentration, x=0.8, it was possible to observe a peak at around T{sub sg} congruent with 10 K. From ac magnetic susceptibility data at different driving frequencies f, it is found that the peak at T{sub sg} shifts to lower temperatures with decreasing frequency suggesting an spin-glass behavior.

International Nuclear Information System (INIS)

The magnetic susceptibility of Y_2Cu_2O_5, Y_2BaCuO_5, and Y_2Ba_2O_5 single-phase compounds in weak magnetic fields (H_0=0.1--20 Oe) and moderate magnetic fields (H_0#=#0.2 Oe it converts into a paramagnetic maximum #chi#(T) which corresponds to an antiferromagnetic transition. In a moderate magnetic field H=500 Oe a normal Curie-Weiss law, #chi##approx##mu#"2_e_f_f (T-#theta#) is observed. At temperatures T=150--300 K, #theta#=38 K and #mu#_e_f_f#approx#2.2 #mu#_B/at. Cu. At T<150 k the temperature dependence of #chi# is described by a simple Curie law with #theta##approx#0. Although the paramagnetic signal is extremely weak, in the Y_2Ba_2O_5 compound the curve of #chi#(T, H_0=100 Oe) for a Y_2ba_2O_5 sample exhibits a slightly smeared maximum at a temperature T#approx#13 K.

International Nuclear Information System (INIS)

We report the results of neutron-diffraction experiments on CeM_2Si_2 (M = Ag,Au,Pd,Rh) which were performed to explore the role of valence fluctuations and 4f hybridization in the magnetic ordering of cerium compounds. All four order antiferromagnetically, the first three exhibiting structures consisting of ferromagnetic layers with moments perpendicular to the layers, which are believed to be characteristic of 4f-4f interactions mediated through hybridization with conduction electrons. CePd_2Si_2 has an anomalously small moment (0.62#mu#/sub B/) in the ordered state. CeAg_2Si_2 exhibits an incommensurate longitudinal, static magnetization wave with moment and propagation direction along the a axis. The fourth compound, CeRh_2Si_2, has the highest known transition temperature (39 K) reported for cerium ordering; it exhibits another second-order transition at 27 K to a complex commensurate structure with modulated moments. The results are discussed in terms of the ...

International Nuclear Information System (INIS)

Measurements have been made on the magnetic susceptibilities of the quasi-one-dimensional magnetic #approx#-UF_5 and the cluster magnetic U_2F_9 (a four-nuclear type) over the range 4.2-300 K. The Curie-Weiss law applies for #approx#-UF_5 above 200 K, with #mu#ef = 2.37#mu#B, theta = -148 K; that law also applies to U_2F_9 above 150 K, with #mu#ef = 2.9#mu#B and theta = 118 K. The antiferromagnetic ordering is discussed for the one-dimensional chains in #approx#-UF_5 together with the phase transition observed in U_2F_9 at 6 K. It is assumed that the U"4"+ and U"5"+ valency states are stabilized below the phase-transition point, and only then can U_2F_9 be considered as the compound UF_4 x UF_5.

International Nuclear Information System (INIS)

The influence of Pd-Ni substitution on the formation of magnetic phases in the tetragonal U(Ni_1_-_x, Pd_x)_2Si_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_z) propagation). The ground-state phase (AF3) of UNi_2Si_2 is an uncompensated AF structure (++- stacking (q_z=2/3)). In UPd_2Si_2 the ground-state phase corresponds to the simple AF structure AF2 (+-+-(q_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.)

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The nucleon axial charge is calculated as a function of the pion mass in full QCD. Using domain wall valence quarks and improved staggered sea quarks, we present the first calculation with pion masses as light as 354 MeV and volumes as large as (3.5 fm)3. We show that finite volume effects are small for our volumes and that a constrained fit based on finite volume chiral perturbation theory agrees with experiment within 5% statistical errors.

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Fuel irradiation leads to a swelling resulting from the formation of gaseous (Kr, Xe) or solid fission products which are found either in solution or as solid inclusions in the matrix. This phenomena has to be evaluated to be taken into account in fuel cladding Interaction. Fuel swelling was studied as a function of burn up by measuring the corresponding cell constant evolution by X-Ray diffraction. This study was realized on Mixed Oxide Fuels (MOX) irradiated in a Pressurized Water Reactor (PWR) at different burn-up for 3 initial Pu contents. Lattice parameter evolutions were followed as a function of burn-up for the irradiated fuel with and without an annealing thermal treatment. These experimental evolutions are compared to the theoretical evolutions calculated from the hard sphere model, using the fission product concentrations determined by the APPOLO computer code. Contribution of varying parameters influencing the unit cell value is discussed. Thermal ...

Energy Technology Data Exchange (ETDEWEB)

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 fission gas xenon bonded in bubbles, in pore, and in the lattice of mixed carbide fuels is measured by electron-probe microanalysis. Radial xenon distribution and release curves are determined and are calibrated by gas chromatography of the bonded fission gas and by burnup analysis in the respective pin sections of the irradiation experiments FR2 6A and 6C, Mol 11/K 2, and DFR 330/1. The results are correlated to the microstructure of the fuel, bonding medium, temperature, and burnup. (Auth.).

Science.gov (United States)

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)

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 5f electrons. (author).

Energy Technology Data Exchange (ETDEWEB)

Generalization of the alternate directions implicit technique is used to compute the pion propagator in quenched QCD on a lattice. The full four-dimensional problem is reduced to a series of partly decoupled two-dimensional inversions. Chiral properties of the theory computed in this approach agree with those found using other methods.

International Nuclear Information System (INIS)

The compound UC_2Si_2 has been found to be ferromagnetic at low temperatures with a Curie temperature of 101"0K. The magnetization follows a Curie-Weiss law in the paramagnetic region with an effective magneton number of 2.12 Bohr magnetons per uranium atom. Partial substitution of Th atoms for the U atoms results in an expansion of the lattice, a rapid drop in the Curie temperature, and a sizable increase in the coercive field.

Energy Technology Data Exchange (ETDEWEB)

The theoretical treatment of the relation between the critical angle of planar channeling and the characteristics of crystal lattice defects is carried out. The predictions are made about some typical forms of the critical angle dependence on the mean-square static displacement produced by defects, and then these predictions are detailed for the cases of homogeneous disordering, spherical clusters of point defects and dislocation loops. Analytical results are supported by the exact computer calculations for the defects in the intermetallic A-15 compounds.

Energy Technology Data Exchange (ETDEWEB)

Experimental data in the Kondo lattice YbPd{sub 2}Si{sub 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.).

International Nuclear Information System (INIS)

The Grueneisen parameter and lattice thermal expansion of the A-15 compounds V_3Si and V_3Ge at room temperature are evaluated on the basis of the method due to Brugger and Fritz from the third order elastic constants reported earlier. The calculated values are compared with available experimental values and are found to fit satisfactorily. (author).

International Nuclear Information System (INIS)

Reduced-Moderation Water reactor (RMWR) is a light water breeder reactor developed by Japan Atomic Energy Research Institute (JAERI). The RMWR comprises tight lattice fuel assemblies with gap clearance of around 1.0 mm to reduce water volume ratio to achieve a high conversion ratio. It is important to estimate the thermal hydraulic safety margin of the tight lattice core of the RMWR. In the present study, the boiling transition (BT) prediction performance of the subchannel analysis code NASCA developed for the current BWR cores was assessed for series of tight lattice critical heat flux (CHF) experiments performed in JAERI. The test section was a 7-rod bundle with rod diameter of 12.3 mm, rod gap of 1.0 mm and heated length of 1.8m. Axial power distribution was flat. With a simple subchannel model, the code overestimates the critical power in the high mass velocity region, although the predicted critical powers in the low ...

Energy Technology Data Exchange (ETDEWEB)

Among the three modifications of calcium sulfite hemihydrate, two of them, hexagonal ..beta..-CaSO/sub 3/.1/2H/sub 2/O with a rhombohedral lattice and ..gamma..-CaSO/sub 3/.1/2H/sub 2/O with a simple triangular hexagonal lattice, were found in the authors' recent work. By heating ..cap alpha..- and/or ..gamma..-hemihydrate at 330-360/sup 0/C in a nitrogen atmosphere, the orthorhombic anhydrate ..cap alpha..-CaSO/sub 3/ was formed, with lattice constants of 6.472, 15.93, and 23.44 angstrom for a, b, and c respectively, while the body-centered tetragonal anhydrate ..beta..-CaSO/sub 3/, with lattice constants of 15.68 and 19.44 angstrom for a and c respectively, was formed by heating the ..beta..-hemihydrate. The dehydration of three hemihydrates and the hydration of two anhydrates were discussed. Calcium sulfite hemihydrate (CaSO/sub 3/.1/2H/sub 2/O) is useful as an architectural material since ...

International Nuclear Information System (INIS)

The ErNi_1_- _x Cu _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)

The purpose of the invention is to improve adaptability of a compression shield to irregularities of a face. This goal is achieved in that a compressible shield is made in the form of a lattice of elastic transverse plates with grooves, elastic vertical elements installed in the grooves, and an elastic plate which is concave toward the face. The plate is located vertically in the middle of the shield. The compressible shield is attached by hinges to a deflector. Telescopic cross pieces are attached by hinges to the covering section of reinforcement, offering the possibility of longitudinal movement at the point of attachment.

Science.gov (United States)

In this paper the thermal equilibrium number of solitons in DNA as a function of absolute temperature and the number of base pairs is calculated. These calculations are effected by modeling DNA as a Toda lattice with parameters chosen to match experimentally measured properties of DNA. It is found that a significant number of solitons is generated at physiological temperature. 23 refs., 2 figs.

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.

CERN Document Server

We point out that electromagnetic one-way edge modes analogous to quantum Hall edge states, originally predicted by Raghu and Haldane in 2D gyroelectric photonic crystals possessing Dirac point-derived bandgaps, can appear in more general settings. In particular, we show that the TM modes in a gyromagnetic photonic crystal can be formally mapped to electronic wavefunctions in a periodic electromagnetic field, so that the only requirement for the existence of one-way edge modes is that the Chern number for all bands below a gap is non-zero. In a square-lattice gyromagnetic Yttrium-Iron-Garnet photonic crystal operating at microwave frequencies, which lacks Dirac points, time-reversal breaking is strong enough that the effect should be easily observable. For realistic material parameters, the edge modes occupy a 10% band gap. Numerical simulations of a one-way waveguide incorporating this crystal show 100% transmission across strong defects, such as perfect ...

International Nuclear Information System (INIS)

Lithium ammonium sulfate (LAS) undergoes a phase transition at Tsub(c1) = 459.5deg K from a paraelectric phase (phase 1) to a ferroelectric phase (phase II) and again at Tsub(c2) = 283deg K to a polar ferroelastic phase (phase III). Proton spin lattice relaxation investigations in the temperature range 480-77deg K at 10 MHz show discontinuous changes in Tsub(1) at the transition temperatures, indicating first order phase transitions. The absence of the slow motion region (#omega#sub(not)tausub(not)>>1) shows that the ammonium ions are reorienting fast enough to keep the resonance absorption line narrow down to liquid nitrogen temperatures. The possibility of a second minimum and a low activation energy, Esub(a) = 2.659 kcal/mole, in phase III suggest the possibility of tunnelling of the protons at low temperatures. The nature of the transitions have been discussed in the light of the available literature. The unusually high activation energy, Esub(a) = 17.845 ...

Energy Technology Data Exchange (ETDEWEB)

Polysaccharides like cellulose and chitosan are known for their filmic properties. This paper concerns the synthesis and the study of chitosan-based polymer electrolytes. A preliminary work concerns the study of glucosamine reactivity. The poly-condensation of chitosan ethers (obtained by reaction with ethylene oxide or propylene oxide) with bifunctional and monofunctional oligo-ethers leads to the formation of thin lattices (10 {mu}m) having excellent mechanical properties. The presence of grafted polyether chains along the polysaccharide skeleton allows to modify the vitreous transition temperature and the molecular disorder of the system. Two type of polymer electrolytes have been synthesized: electrolytes carrying a dissolved alkaline metal salt and ionomers. The analysis of their thermal, dynamical mechanical, nuclear magnetic relaxation, electrical, and electrochemical properties shows that this new class of polymer electrolytes has the same performances as ...

Science.gov (United States)

A film of GaSb grown epitaxially on a Si substrate is a direct transition semiconductor useful for application as a light source in Si photonics and channel material in next-generation field effect transistors because its energy bandgap is close to the optical fibre communication wavelength and it possesses high carrier mobility. Here, we report a novel method for heteroepitaxial growth of high-quality GaSb/Si films, despite having a lattice mismatch as large as ? 12%, using elastically strain-relaxed GaSb nanodots with ultrahigh density as seed crystals for film growth. The nanodot seed crystals were grown epitaxially by restricted contact with the Si substrate through nanowindows in an ultrathin SiO(2) film on the Si substrate. A light-emitting diode containing GaSb/Si films with a thickness of ? 90 nm fabricated by this method operated at room temperature. The growth method was also used to fabricate AlGaSb films of high quality. Our method provides a new avenue ...

International Nuclear Information System (INIS)

Local-density-functional calculations of the energy bands, equilibrium lattice constant, bulk modulus, and cohesive energy have been performed using a newly developed self-consistent full-potential linearized augmented-plane-wave (LAPW) program. Scalar-relativistic effects are included for the band states, and the core-level states are treated fully relativistically in a central-field approximation. Excellent agreement is obtained with the experimental lattice constant and bulk modulus. Generally good agreement is obtained with the scalar-relativistic pseudopotential results of Bylander and Kleinman. In this context, the impact of various approximations used in including the core states is assessed, and these findings are related to the frozen-core and pseudopotential approximations, especially with regard to the treatment of the somewhat overlapping 5p semicore states and their effect on ground-state properties. Comparison with the recent LAPW ...

Energy Technology Data Exchange (ETDEWEB)

This paper presents a study on the crystallization and growth mechanism of selenium nanowires induced by silver nanoparticles at ambient conditions with special reference to the effects of factors such as the shapes and size of silver nanoparticles, the induced reaction time, and the molar ratio of Ag{sup 0} to SeO{sub 3}{sup 2-} ions. The synthesis approach is conducted with no need of any stabilizers, and with no sonochemical process and/or templates. It is found that whether silver spherical particles or colloids can lead to the formation of nanowires with average diameter of 25 nm and lengths up to a few micrometers, and silver nanoplates lead to the formation of flat Se nanostructures. In particular, Au, Cu, Pt, and Pd particles cannot induce the growth of selenium nanowires in aqueous solution at room temperature. The results indicate that silver particles play a critical role in determining the growth of selenium nanowires. The lattice match between ...

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

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 ...

International Nuclear Information System (INIS)

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)

International Nuclear Information System (INIS)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

A combination of computer codes such as LATREP, HWRAXAV and CITATION is utilized in an attempt to analyze the nuclear design characteristics of the CAXDU-PHWR of the Wolsung Unit 1. The major nuclear properties to be computed are the lattice properties of CANDU fuel channel and the core channel power distribution. The computed results are compared with the preliminary safety reports documentation for the Wolsung reactor. The observed discrepancies between our computations and the preliminary safety reports values are discussed in terms of incomplete information on the description of the core configuration in the preliminary safety reports and the different calculation methods. (author).

Energy Technology Data Exchange (ETDEWEB)

Several possibilities of the use of molecular models in quantum-chemical investigations of the structure of defect centers on the surfaces of oxides on nontransition elements have been illustrated. There has been a special discussion of the assumption of the local nature of the chemical interactions in these systems, which underlies such an approach, and of the consequent laws governing the formation of their lattices in the example cases of zeolites, kaolinites, and comparable boron- and aluminum-containing oxides. A quantum-chemical interpretation of the body of experimental data from investigations of the dehydroxylation of H forms of zeolites has been given. The structure of the Lewis acid centers formed as a result, and their chemisorption properties, have been discussed.

International Nuclear Information System (INIS)

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.

International Nuclear Information System (INIS)

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.

International Nuclear Information System (INIS)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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 ...

Science.gov (United States)

The electromagnetic properties of the baryon decuplet are calculated in quenched QCD on a 20{sup 3}x40 lattice with a lattice spacing of 0.128 fm using the fat-link irrelevant clover fermion action with quark masses providing a pion mass as low as 300 MeV. Magnetic moments and charge radii are extracted from the electric and magnetic form factors for each individual quark sector. From these, the corresponding baryon properties are constructed. We present results for the higher-order moments of the spin-3/2 baryons, including the electric-quadrupole moment E2 and the magnetic-octupole moment M3. The world's first determination of a nonzero M3 form factor for the {delta} baryon is presented. With these results we provide a conclusive analysis which shows that decuplet baryons are deformed. We compare the decuplet-baryon results from a similar lattice calculation of the octet baryons. We establish that the environment ...

Energy Technology Data Exchange (ETDEWEB)

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 ...

International Nuclear Information System (INIS)

Magnetic excitation in coupled multispin system is studied theoretically focusing on Cu_2Fe_2Ge_4O_1_3 and Cu_2CdB_2O_6 as typical examples of such system. These compounds consist of spin dimer and spin monomer parts and show an antiferromagnetic phase transition at low temperatures due to the spin monomer part. A multispin containing a spin dimer and spin monomers is treated as a basis unit. The multispin forms a spin multiplet and its energy levels are separated into high and low regions reflecting the characteristic energies of the dimer and monomer parts. We regard the system as interacting multispins and apply an extended Holstein-Primakoff theory by introducing bosons for each energy level of a spin multiplet. In the low-energy region, the obtained magnon dispersion and dynamical spin correlation function agree quantitatively with experimental results of inelastic neutron scattering performed in Cu_2Fe_2Ge_4O_1_3. Analyzing dynamical spin correlation ...

International Nuclear Information System (INIS)

A new iron phosphate (NH4)4Fe3(OH)2F2[H3(PO4)4] has been synthesized hydrothermally at HF concentrations from 0.5 to 1.2 mL. Single-crystal X-ray diffraction analysis reveals its three-dimensional open-framework structure (monoclinic, space group P21/n (No. 14), a=6.2614(13) A, b=9.844(2) A, c=14.271(3) A, ?=92.11(1)o, V=879.0(3) A3). This structure is built from isolated linear trimers of corner-sharing Fe(III) octahedra, which are linked by (PO4) groups to form ten-membered-ring channels along [1 0 0]. This isolated, linear trimer of corner-sharing Fe(III) octahedra, [(FeO4)3(OH)2F2], is new and adds to the diverse linkages of Fe polyhedra as secondary building units in iron phosphates. The trivalent iron at octahedral sites for the title compound has been confirmed by synchrotron Fe K-edge XANES spectra and magnetic measurements. Magnetic measurements also show that this compound exhibit a strong antiferromagnetic exchange below TN=17 K, consistent with ...

Energy Technology Data Exchange (ETDEWEB)

Noncollinear (NC) magnetism is common in nature, especially when there exist geometrical frustration and chemical imparity in the system. In this work we studied the NC magnetism and the response to external magnetic fields in surfaces and interfaces of transition metals by using an semi-empirical tight-binding (TB) method that parameterized to the ab initio TB-LMTO calculations. We implemented this method to study two systems. The first one is the system of 6 Mn monolayers on Fe(001) substrate. Due to the complex structure and magnetic properties of Mn, we found 23 collinear magnetic configurations but only one NC configuration. The collinear ground state has a layered antiferromagnetic (AFM) coupling which agrees with previous experiments and calculations. In the NC configuration the local AFM coupling in the Mn layers is preserved, but the surface is 90 degree coupled to the substrate. Similar to the experiment in CdCr{sub 2}O{sub 4}, we obtained a collinear ...

International Nuclear Information System (INIS)

R_2PdSi_3 compounds have been found to exhibit rich magnetic phenomena arising from the interplay between RKKY interaction, crystal electric field effects and geometric frustration due to the derived hexagonal AlB_2 structure. The observed crystallographic superstructure further complicates the CEF level scheme. Inelastic neutron scattering measurements on single crystals of Tm_2PdSi_3 and Er_2PdSi_3 have been performed at the cold triple axis spectrometer PANDA in FRM-II. Both compounds order antiferromagnetically at T_N=7 K and 2.1 K respectively; Er_2PdSi_3 undergoes a second phase transition at T_2=2 K. Several low lying CEF excitations (below 10 meV) were observed. The intensity of the lowest excitation show strong directional dependence (in HK0 plane for Er_2PdSi_3 and in HHL plane for Tm_2PdSi_3), from which the details of the transitional matrix could be deduced. Measurements in magnetic fields up to 13 T show Zeeman splitting of the CEF excitations. In ...

International Nuclear Information System (INIS)

We succeeded in synthesizing a new cubic intermetallic compound PrCu_4Ag in a fcc structure. Measurements of X-ray diffraction, magnetic susceptibility, magnetization, specific heat, electrical resistivity, thermal expansion, and elastic constants have been performed on single crystals of PrCu_4Ag. A maximum value of #chi#(T) with a corresponding peak in C(T) suggests that an antiferromagnetic phase transition occurs at T_N=2.4 K, where a sudden decrease in #rho#_4_f(T) and a sharp peak in the thermal expansion coefficient #alpha#(T) were observed. Characteristic Curie-type softening was observed in the temperature dependence of the transverse mode for (C_1_1 - C_1_2)/2 and C_4_4 from 70 K down to T_N, which implies that the crystalline electric field (CEF) ground state is the magnetic triplet #GAMMA#_5. The anisotropic properties in M(T,H) and C(T,H) are studied when the external magnetic field is applied in the <100>, <110>, and <111> ...

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Single crystals of U(Ni_1_-_xPd_x )_2Si_2 for x = 0.05, 0.10 and 0.15 have been grown. Magnetization and electrical resistivity measurements were performed in a wide range of temperatures, magnetic fields and high pressures in order to study stability of magnetic phases in the solid solutions between UNi_2Si_2 and UPd_2Si_2 with a special emphasis on the type of ground state. In UPd_2Si_2 the simple AFI-type antiferromagnetic structure of U moments is observed at low temperatures. UNi_2Si_2 adopts the uncompensated AF structure (UAF) with the ++- stacking of U moments along the c-axis and consequently this compound exhibits a spontaneous magnetization corresponding to 1/3 of the U moment. The substitution of Pd for Ni leads to a rapid decay of the spontaneous magnetization. The evolution of magnetization and electrical resistivity behavior with Pd doping is tentatively attributed to the coexistence of the AF-I and UAF phases in the ground state of ...

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.

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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.

CERN Document Server

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.

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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).

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

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.

International Nuclear Information System (INIS)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

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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.

Science.gov (United States)

An inclusion complex between imazalil (IMZ), a selected fungicide, and cyclomaltoheptaose (beta-cyclodextrin, betaCD) was obtained using supercritical fluid carbon dioxide. The best preparation conditions were determined, and the inclusion complex was investigated by means of 1H NMR spectroscopy in aqueous solution and 13C CPMAS NMR spectroscopy in the solid state. Information on the geometry of the betaCD/IMZ complex was obtained from ROESY spectroscopy, while the dynamics of the inclusion complex in the kilohertz range was obtained from the proton spin-lattice relaxation times in the rotating frame, T(1rho) (1H). PMID:14553984

International Nuclear Information System (INIS)

High temperature deformation behaviour of an experimental Beta-titanium alloy Ti-10V has been studied in the temperature range 800 to 945 degree C by using the method of crosshead speed cycling. Although subgrain formation was observed but the alloy did not exhibit superplastic behaviour in the entire temperature range studied. A very large initial grain size and elongation of grains during the deformation are considered the main factors responsible for absence of superplastic behaviour. The activation energy values for regions II and III of the ln sigma vs. ln small epsilon plots are close to the lower of the two activation energy values proposed together to describe self diffusion in beta-phase suggesting that the rate controlling mechanism is that for lattice diffusion rather then grain boundary diffusion. (author)

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The following is the optimized pulsed laser deposition (PLD) procedure by which we prepared the final samples that were sent to LLNL. These samples are epitaxial multilayer structures of Si/YSZ/CeO/NSMO, where the abbreviations are explained in the following table. In this heterostructure, YSZ serves as a buffer layer to prevent deleterious chemical reactions, and also serves to de-oxygenate the amorphous SiO{sub 2} layer to generate a crystalline template for epitaxy. CeO and BTO serve as template layers to minimize the effects of thermal and lattice mismatch strains, respectively. More details on the buffer and template layer scheme are included in the manuscript [Yong et al., 2008] attached to this report.

International Nuclear Information System (INIS)

A theoretical study of electron and positron band structures of zinc-blende AlN and InN and their alloy Al_0_._5In_0_._5N is presented using the first-principles full-potential linearized augmented plane-wave method. Equilibrium lattices constants are determined from the total-energy minimization method. The results are compared with previous calculations and with experimental measurement. Electron and positron charge densities are computed as function of position in the unit cell. Detailed plots of distributions are along the direction. The ionicity factors are calculated by means of three different approaches. The calculated results of the positron charge density reflect the high insight for the annihilation effect.

International Nuclear Information System (INIS)

The authors discuss several aspects of defect formation in epitax heterostructures based on solid solutions of A"3B"5 semiconductor compounds; these heterstructures were prepared by liquid phase epitaxy by cooling suitable high-temperature solutions from the initial growth temperature. An analysis shows that the regions near heterojunctions are regions of increased defect density even in compositions based on Al /SUB x/ Ga /SUB 1-x/ As-GaAs, Al /SUB x/ Ga /SUB 1-x/ P-GaP, Al /SUB x/ Ga /SUB 1-x/ Sb-GaSb, where the differences in lattice parameters of the contacting materials are a minimum.

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Pd/Ag alloy hollow spheres have been synthesized in ethylene glycol solution by the solvothermal method and have been characterized extensively. TEM results have revealed the formation of Pd/Ag hollow spheres. Moreover, HRTEM results confirmed the formation of Pd/Ag alloy spheres, where the lattice fringe spacing is 0.229 nm corresponding to the (111) plane of Pd/Ag alloy. SEM, XRD and UV-vis results have further suggested the formation of alloy hollow spheres. The preliminary results showed the reaction time may be an importance factor influencing the formation of Pd/Ag alloy hollow spheres.

Science.gov (United States)

We report significant enhancement in superconducting properties of yttrium substituted Ce1-xYxOFFeAs superconductors. The polycrystalline samples were prepared by two step solid state reaction technique. X-ray diffraction confirmed tetragonal ZrCuSiAs structure with decrease in both a and c lattice parameters on increasing yttrium substitution (with fixed F content). With smaller ion Y in place of Ce, the transition temperature increased by 6 K. Yttrium doping also lead to higher critical fields as well as broader magnetization loops, particularly at elevated temperature.

International Nuclear Information System (INIS)

We have calculated the electronic structure of Eu for the bcc, hcp, and fcc crystal structures for volumes near equilibrium up to a calculated 90 GPa pressure using the augmented-plane-wave method in the local-density approximation. The frozen-core approximation was used with a semi-empirical shift of the f-states energies in the radial Schroedinger equation to move the occupied 4f valence states below the #GAMMA#_1 energy and into the core. This shift of the highly localized f-states yields the correct europium phase ordering with lattice parameters and bulk moduli in good agreement with experimental data. The calculated superconductivity properties under pressure for the bcc and hcp structures are also found to agree with and follow a T_c trend similar to recent measurement by Debessai et al.

International Nuclear Information System (INIS)

Ferroelectric [Pb_0_._9_2(La_1_-_zSb _z)_0_._0_8][Zr_0_._6_0Ti_0_._4_0]O_3 for z = 0.0, 0.3, 0.6, 0.9 and 1 were prepared from their constituent oxides by a solid state reaction technique. The powders were calcined in the temperature range of 1000 deg. C for 6 h. Phase formation, crystal structure and lattice parameter were investigated by X-ray diffraction (XRD) technique. The compacts were sintered at 1250 deg. C for 2 h and their dielectric, ferroelectric and conductive properties were measured. The ferroelectric behavior of the doped samples was studied from their hysteresis loop.

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The Advanced Photon Source injector synchrotron is a 7-GeV positron machine with a standard alternating gradient lattice. The calculated effect of dipole magnet strength errors on the orbit distortion, simulated by Monte Carlo, was reduced by sorting pairs of magnets having the closest simulated measured strengths to reduce the driving the term of the integer resonance nearest the operating point. This method resulted in a factor of four average reduction in the rms orbit distortion when all 68 magnets were sorted at once. The simulated effect of magnet measurement experimental resolution was found to limit the actual improvement. The {Beta}-beat factors were similarly reduced by sorting the quadrupole magnets according to their gradients.

British Library Electronic Table of Contents (United Kingdom)

The transformation mechanism of hexagonal delta phase from the disordered bcc gamma phase has not been reported before in the Zr-rich U-Zr alloy system. With the help of X-ray diffraction, transmission electron microscopy (TEM) and high-resolution TEM analyses it was shown that the gamma to delta conversion takes place by the lattice collapse mechanism of omega transformation. It was also ascertained that a higher aging temperature or time promotes the growth of all four variants of the delta phase within a parent gamma grain. In addition, ab initio electronic structure calculations showed that the bcc to hexagonal transformation, involving partial ordering of the parent bcc phase followed by (111) plane collapse, is energetically favorable.

International Nuclear Information System (INIS)

Molecular cluster predictions for electronic energy levels, wave functions, momentum densities, and Compton profiles of VO and VO_2 are examined within the Hartree-Fock-Slater model. VO_6 clusters are treated in O/subh/, D_4/subh/, and D_2/subh/ symmetry to obtain quantitative relations between distortion parameters and level shifts and splittings. Effects of the crystal environment are taken into account by a potential field. Results for VO are consistent with the augmented plane-wave band calculation of Mattheiss and x-ray emission data; the VO_2 levels are in good agreement with x-ray photoelectron spectroscopy data. A sizable anisotropy is predicted for the Compton profile of VO and VO_2.

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At present the cooler synchrotron COSY a synchrotron and storage ring for medium energy physics is being commissioned at Juelich. The construction of the ring was finished during September 1992. The cooler ring will deliver protons in the momentum range from 270 to 3300 MeV/c. The phase density of the circulating protons will be increased with electron cooling at injection and with stochastic cooling at momenta between 1500 and 3300 MeV/c. High luminosity internal experiments as well as high resolution external experiments will be possible. Details of the lattice, to match the different ion optical requirements for cooling, acceleration, internal experiments and ultra-slow extraction will be discussed. An overview of the performance of the ion sources, the injector cyclotron, the ring, the injection beamline are given. The realization status of the extraction beamlines to the external experimental area is given. The experience on the commissioning of the cooler ...

International Nuclear Information System (INIS)

We present results of multiple-time-scale simulations of 5, 10 and 15 keV low temperature ion implantation of arsenic on silicon (100), followed by high temperature anneals. The simulations start with a molecular dynamics (MD) calculation of the primary state of damage after 10ps. The results are then coupled to a kinetic Monte Carlo (MC) simulation of bulk defect diffusion and clustering. Dose accumulation is achieved considering that at low temperatures the damage produced in the lattice is stable. After the desired dose is accumulated, the system is annealed at 800 degrees C for several seconds. The results provide information on the evolution for the damage microstructure over macroscopic length and time scales and affords direct comparison to experimental results. We discuss the database of inputs to the MC model and how it affects the diffusion process.

International Nuclear Information System (INIS)

The intercalation reaction of some layered transition metal disulfides with alkali metals, alkali metal hydroxides, and tetraalkylammonium hydroxides were investigated. The alkali metal intercalates were prepared in the respective metal-hexamethylphosphoric triamide solutions in vaccuo, and the hydroxide intercalates in aqueous hydroxide solutions. According to the intercalation reaction, the c-lattice parameter was increased, and the increase indicated the expansion of the interlayer distance. In the case of alkali metal intercalates, the expansion of the interlayer distance increased continuously, corresponding to the atomic radius of the alkali metal. On the other hand, the hydroxide intercalates showed discrete expansion corresponding to the effective ionic radius of the intercalated cation. All intercalates of TaS_2 amd NbS_2 were superconductors. The expansion of the interlayer distance tended to increase the superconducting transition temperature in the ...

Science.gov (United States)

Hydrogen molecule adsorption on the (0001) surface of double hexagonal closed packed americium has been studied in detail within the framework of density functional theory. Weak molecular hydrogen adsorptions were observed. The most stable configuration corresponded to a Hor2 approach molecular adsorption at the one-fold top site where the molecule's approach is perpendicular to a lattice vector. Adsorption energies and adsorption geometries for different adsorption sites will be discussed. The change in work functions, magnetic moments, partial charges inside muffin-tins, difference charge density distributions and density of states for the bare Am slab and the Am slab after adsorption of the hydrogen molecule will be discussed. Reaction barrier for the dissociation of hydrogen molecule will be presented. The implications of adsorption on Am 5f electron localization-delocalization will be summarized.

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It has been shown that two-dimensional arrays of rigid or fluidlike cylinders in a fluid or a gas define, in the limit of large wavelengths, a class of acoustic metamaterials whose effective parameters (sound velocity and density) can be tailored up to a certain limit. This work goes a step further by considering arrays of solid cylinders in which the elastic properties of cylinders are taken into account. We have also treated mixtures of two different elastic cylinders. It is shown that both effects broaden the range of acoustic parameters available for designing metamaterials. For example, it is predicted that metamaterials with perfect matching of impedance with air are now possible by using aerogel and rigid cylinders equally distributed in a square lattice. As a potential application of the proposed metamaterial, we present a gradient index lens for airborne sound (i.e. a sonic Wood lens) whose functionality is demonstrated by multiple scattering simulations.

International Nuclear Information System (INIS)

Ultraveiolet spectroscopy of molecules in vapour phase gives valuable information about electronic structure of free molecules. But in many cases vaipour phase investigations are not possible and in order to isolate molecules within solid lattice, we used cryogenic temperature and high vacuum technology to study absorption spectrum within the spectral range (230-270)nm of an isolated benzene molecule in Argon, Krpton, Nitrogen, Carbon and methane matrices. The spectra shifts were measured and calculated in the matrix environment for the electronnic transition (B 24--A 19) in benzene molecule using the matrices mentioned above. Molar extinction coefficients and oscillator strength were measured too. (7 tabs., 32 figs., 50 refs.).

International Nuclear Information System (INIS)

Perovskite-type cobaltates in the system La2Co1+z(MgxTi1-x)1-zO6 were studied for z=0?x?0.6 and 0?xoC. The space group symmetry of the structure changes from P21/n via Pbnm to R3-bar c with both increasing Mg content and increasing Co content. The La2Co(MgxTi1-x)O6 (z=0) compounds show anti-ferromagnetic couplings of the magnetic moments for the Co below 15 K for x=0, 0.1 and 0.2. XANES spectra show for the compositions 0?x?0.5 a linear decrease in the L3/(L3+L2) Co-L2,3 edge branching ratio with x, in agreement with a decrease of the average Co ion spin-state, from a high-spin to a lower-spin-state, with decreasing nominal Co2+ ion content. -- Graphical abstract: XRPD patterns for perovskite compounds along the lines La2Co(MgxTi1-x)O6 and La2Co1+z(Mg0.5Ti0.5)1-zO6. Display Omitted Research Highlights: ?Tuning of the oxidation state of Co in the perovskite system La2Co1+z(Mtem La2Co1+z(MgxTi1-x)1-zO6, z=0?x?0.6 and 0?x2Co1+z(MgxTi1-x)1-zO6, z=0?x?0.6 and ...

International Nuclear Information System (INIS)

The oxygen vacancies distribution in the rigid lattice and the thermally activated motion of oxygen atoms are studied in La1-xSrxGa1-xMgxO3-x (x=0.00; 0.05; 0.10; 0.15 and 0.20) compounds. For that 71Ga, 25Mg and 17O NMR was performed from 100 K up to 670 K, and ion conductivity measurements were carried out up to 1273 K. The comparison of the electric field gradients at the Ga- and Mg-sites evidences that oxygen vacancies appear exclusively near gallium cations as a species trapped below room temperature in local clusters, GaO5/2-#square#-GaO5/2. These clusters decay at higher temperature into mobile constituents of the structural octahedra Ga(O5/6#square#1/6)6/2. At the same time, the nearest octahedral oxygen environment of magnesium cations persists at different doping levels. The case of two adjacent vacant anion sites is found highly unlikely within the studied doping range. The thermally activated oxygen motion starts to develop above room temperature as is ...

International Nuclear Information System (INIS)

We studied the strain introduced in a Si(111) substrate due to MeV ion implantation using extremely asymmetric x-ray diffraction and measured the rocking curves of asymmetrical 113 diffraction for the Si substrates implanted with a 1.5 MeV Au"2"+ ion at fluence values of 1x10"1"3, 5x10"1"3, and 1x10"1"4/cm"2. The measured curves consisted of a bulk peak and accompanying subpeak with an interference fringe. The positional relationship of the bulk peak to the subpeak and the intensity variation of those peaks with respect to the wavelengths of the x rays indicated that crystal lattices near the surface were strained; the lattice spacing of surface normal (111) planes near the surface was larger than that of the bulk. Detailed strain profiles along the depth direction were successfully estimated using a curve-fitting method based on Darwin's dynamical diffraction theory. Comparing the shapes of resultant strain profiles, we found that a strain ...

International Nuclear Information System (INIS)

One of the limiting contributors to the heat load constraint for a long term spent fuel repository is the decay of americium-241. A possible option to reduce the heat load produced by Am-241 is to eliminate it via transmutation in a light water reactor thermal neutron environment, in particular, by taking advantage of the large thermal fission cross section of Am-242 and Am-242m. In this study we employ lattice loading optimization techniques to define the loadings and arrangements of fuel pins with blended americium and uranium oxide in boiling water reactor bundles, specifically, by defining the incineration of pre-loaded americium as an objective function to maximize americium transmutation. Subsequently, the viability of these optimized lattices is tested by assembling them into bundles with Am-spiked fuel pins and by loading these bundles into realistic three-dimensional BWR core-wide simulations that model multiple reload cycles and ...

International Nuclear Information System (INIS)

We describe the growth, fabrication, and characterization of an ultraviolet (UV) photoconductive detector based on In_xAl_yGa_1_-_x_-_yN quaternary alloy that is lattice matched to GaN. The detector consisted of 0.1 #mu#m In_xAl_yGa_1_-_x_-_yN alloy grown on 0.5-1.0 #mu#m GaN epilayer by metalorganic chemical vapor deposition. With varying indium concentration, the cut-off wavelength of the In_xAl_yGa_1_-_x_-_yN detectors could be varied to the deep UV range. The most important and intriguing result is that the responsivity of the In_xAl_yGa_1_-_x_-_yN quaternary alloy exceeded that of AlGaN alloy of a comparable cutoff wavelength by a factor of five. This makes the nitride quaternary alloy very important material for solar blind UV detectors applications particularly in the deep UV range where Al rich AlGaN alloys have problems with low quantum efficiency and cracks due in part to lattice mismatch with GaN. The advantages of ...

Energy Technology Data Exchange (ETDEWEB)

A numerical study has been performed to investigate the hydrodynamic aspects of the pool boiling on horizontal-, vertical- and downward-facing surfaces. The FlowLab code, which is based on a Lattice-Boltzmann (LB) model of two-phase flows, is employed. Macroscopic properties, such as surface tension ({sigma}) and contact angle ({beta}), are implemented through the fluid-fluid (G{sub {sigma}}) and fluid-solid (G{sub t}) interaction potentials. The model is found to express a linear relation between the macroscopic properties ({sigma}, {beta}) and microscopic parameters (G{sub {sigma}}, G{sub t}). The simulation results on bubble departure diameter appear to have the same parametric dependence as the empirical correlation. Hydrodynamic aspects of two-phase flow regime transition mechanism are investigated for different surface-coolant configurations. Results of the LB simulation clearly demonstrate that not only the bubble nucleation site density (related, e.g. to ...

Energy Technology Data Exchange (ETDEWEB)

This thesis details the first direct ultrafast measurements of the dynamic thermal expansion of a surface and the temperature dependent surface thermal diffusivity using a two-color reflection transient grating technique. Studies were performed on p-type, n-type, and undoped GaAs(100) samples over a wide range of temperatures. By utilizing a 90 fs ultraviolet probe with visible excitation beams, the effects of interband saturation and carrier dynamics become negligible; thus lattice expansion due to heating and subsequent contraction caused by cooling provided the dominant influence on the probe. At room temperature a rise due to thermal expansion was observed, corresponding to a maximum net displacement of {approximately} 1 {Angstrom} at 32 ps. The diffracted signal was composed of two components, thermal expansion of the surface and heat flow away from the surface, thus allowing a determination of the rate of expansion as well as the surface thermal diffusivity, ...

International Nuclear Information System (INIS)

Immobilization of long-lived fission products (LLFP) such as radioactive Tc, Cs and Sr into #alpha#-SiAlON ceramics was evaluated using stable isotopes instead of radioactive isotopes, and the applicability of #alpha#-SiAlON ceramics as the inert matrix for transmutation of LLFP was investigated. In the case of single addition of SrO, SrCO_3, Cs_2CO_3 or ReO_2 to the starting materials, #alpha#-SiAlON, single phase was not formed after hot-pressing. When Y_2O_3 was added with SrO, SrCO_3 or Cs_2CO_3 to the starting materials (#alpha#-Si_3N_4, AlN and #alpha#-Al_2O_3) in optimum compositions, #alpha#-SiAlON single phase was obtained after hot-pressing at 1700degC or 1800degC. From the EDS analysis, Sr and Y were detected from grains. It is suggested that Y would assist the expansion of interstices of #alpha#-SiAlON lattice, resulting in the incorporation of Sr"2"+ into #alpha#-SiAlON lattice. In the case of Cs addition with Y, Cs was not ...

Energy Technology Data Exchange (ETDEWEB)

The authors would like to determine |V{sub cb}| from the exclusive semi-leptonic decay B{yields}D*lv. The differential decay rate is d{Lambda}/dw = G{sub F}{sup 2}/4{pi}{sup 3}(w{sup 2}-1){sup 1/2}m{sub D*}{sup 3} (m{sub B}-m{sub D*}){sup 2}G(w)|V{sub cb}|{sup 2}|F{sub B{yields}D*}(w)|{sup 2}, where w = v {center_dot} v{prime} and G(1) = 1. At zero recoil (w = 1) heavy-quark symmetry requires F{sub B{yields}D*}(1) to be close to 1. So, |V{sub cb}| is determined by dividing measurements of d{Lambda}/dw by the phase space and well-known factors, and extrapolating to w {yields} 1. This yields |V{sub cb}|F{sub B{yields}D*}(1), and F{sub B{yields}D*}(1) is taken from ''theory''. To date models [1] or a combination of a rigorous inequality plus judgement [2] have been used to estimate F{sub B{yields}D*}(1) - 1. In this work [3] they calculate F{sub B{yields}D*}(1) with lattice gauge theory, in the so-called quenched approximation, but ...

International Nuclear Information System (INIS)

This paper describes a reactor design to facilitate a room-temperature nuclear fusion/fission reaction to generate heat without generating unwanted neutrons, gamma rays, tritium, or other radioactive products. The room-temperature fusion/fission reaction involves the sequential triggering of billions of single-molecule, "6LiD 'fusion energy pellets' distributed in lattices of a palladium ion accumulator that also acts as a catalyst to produce the molecules of "6LiD from a solution comprising D_2O, "6LiOD with D_2 gas bubbling through it. The D_2 gas is the source of the negative deuterium ions in the "6LiD molecules. The next step is to trigger a first nuclear fusion/fission reaction of some of the "6LiD molecules, according to the well-known nuclear reaction: "6Li + D #-># 2"4He + 22.4 MeV. The highly energetic alpha particles ("4He nuclei) generated by this nuclear reaction within the palladium will cause shock and vibrations in the palladium ...

International Nuclear Information System (INIS)

We have studied the correlation between the chemical state and the oxygen-sensing properties of an iron oxide thin film using a setup that allows simultaneous sensor resistance measurements and X-ray photoelectron spectroscopy (XPS) data acquisition. The gas exposures were performed at the highest operating pressure of the XPS spectrometer at a controlled sample temperature which allows direct comparison between the sensor response and the chemical state of the surface. The iron oxide film was modified by a sequence of argon ion sputtering steps and the induced changes in the chemical state, resistance, and sensitivity to oxygen were investigated. The sputtering was found to reduce the iron from the Fe"3"+ to the Fe"2"+ state and to decrease the sensor resistance. The measured sensitivity to oxygen first increased by a factor of two but then collapsed to its original level. The mechanism for oxygen sensing was found to be filling of the oxygen vacancies in the ...

International Nuclear Information System (INIS)

The structural parameters of various Haegg phases (H or M_n_+_1AX_n phases) are studied experimentally by x-ray and electron spectroscopies, x-ray diffraction, and ab initio full potential as well as full mutiple scattering theoretical calculations. Experimentally it was found that the structure of all ternary compounds analyzed herein are relaxed. The values of the lattice parameters and relaxations obtained from ab initio calculations are in excellent agreement with those deduced from the analysis of the experimental data. The bonding scheme has been analyzed and the charge transfer between constituting atoms determined. It is demonstrated that the strength and electrical transport properties in these materials are principally governed by the metallic planes. For the solid solution (Ti_0_._5Nb_0_._5)_2AlC, the most salient result is that the basal planes are corrugated, which could explain the solid solution scattering observed in this H phase.

Environmental Research Database

ObjectivesTo extend a set of work carried out previously at Royal Holloway, the Natural History Museum and elsewhere, and instigated, to a considerable extent, by the PI to determine~%~~%~1. whether there is any significant difference in the performance of clay minerals in the presence of leachates generated by wastes from different cultures and/or deposited in different climates;~%~~%~2. what causes some, if not all, clay minerals to aggregate after reaction with landfill Ieachate;~%~~%~3. the permeabili [continued...]DescriptionAround 1995 it was shown that that interactions between clay minerals and landfill leachate destroy the clay mineral lattice, leading to reduced liner permeability. Recent work indicates that the effect may be caused by dissolution of silica and deposition of amorphous alumina. Most work to date has been done using synthetic and natural 'British' teachates. The research in Melbourne ...