Energy Technology Data Exchange (ETDEWEB)

The purified integral membrane protein, band 3, from human erythrocytes was inserted into egg lecithin liposomes. The insertion of band 3 was determined from thermal transition data from the analysis of the C-H stretching region bands recorded at temperatures from 25 to -22[sup o]C. Raman spectra show that band 3 considerably broadens and lowers the thermal transition of egg lecithin liposomes, suggesting the insertion of band 3. The band 3-inserted liposomes were irradiated with gamma-rays (40 Gy) and the radiation target groups were determined by the analysis of the structural sensitive Raman bands in the 1600-1700 cm[sup -1] (amide I), 1200-1300 cm[sup -1] (amide III) and 550-1030 cm[sup -1] (side chain amino groups) regions. The radiation-sensitive groups as identified from Raman spectra in the region 550-1030 cm[sup ...

International Nuclear Information System (INIS)

The measurements obtained here indicate ways in which micro-Raman spectroscopy can be used to elucidate structural characteristics and distribution of carbon in meteorites and interplanetary dust particles (IDPs). Existing information about structurally significant aspects of Raman measurements of graphite is combined with structurally relevant findings from the present micro-Raman studies of carbons prepared by carbonization of polyvinylidine chloride (PVDC) at various temperatures and natural material, as well as several acid residues from the Allende and Murchison meteorites in order to establish new spectra-structure relationships. Structural features of many of the materials in this study have been measured by x ray analysis and electron microscopy: thus, their structural differences can be directly correlated with differences in the Raman spectra. The ...

International Nuclear Information System (INIS)

The phase transition behaviour of polyethylene-b-poly(ethylene oxide) (PE-b-PEO) diblock copolymer with relatively short chain lengths has been studied on the basis of temperature dependent infrared and Raman spectral measurements and synchrotron WAXD/SAXS simultaneous measurements, from which the concrete structural changes were deduced successfully from the various levels of molecular chain conformation, chain packing mode and higher-order structure. The higher-order structure has been found to transform between lamella, perforated lamella, gyroid, cylinder and sphere structures. The inner structural changes occurring in the polyethylene and poly(ethylene oxide) parts have been related with these morphological changes. The morphological transition from lamella to gyroid occurs with keeping the crystalline state of ...

International Nuclear Information System (INIS)

In this study, free electron laser (FEL) with selective wavelength was used to induce structure changes of biomolecules, which were characterized by FTIR spectroscopy. For understanding of the interactions between FEL and biomolecules as well as biological tissues, the biomolecules investigated are ATP, ADP, AMP, t-RNA, D-ribose and the complex of SmCl_3-D-ribose. Their FTIR spectra before and after irradiation of FEL show molecular structure variations of the samples after irradiation of FEL, especially the rearrangement of their hydrogen bond networks. Along with the various irradiation wavelengths, irradiation time and molecular structures, the changes after irradiation are different for these molecules. In the FTIR spectra after irradiation, the phenomenon that the bands split into several peaks indicates the existence of several ...

Energy Technology Data Exchange (ETDEWEB)

Ultraviolet photoelectron spectra were measured for vanadyl phthalocyanine (VOPc) ultrathin films prepared on graphite to study effects of the molecular orientation and the electric dipole layer on the organic electronic states. VOPc has a permanent electric dipole perpendicular to the molecular plane, hence a well-defined electric dipole layer could be intentionally prepared by using the oriented monolayer. The observed binding-energy difference of the highest occupied molecular orbital (HOMO) bands between the oriented monolayer and the double layer was found to agree with the vacuum level shift, leading to a conclusion that the molecular energy level with respect to the substrate Fermi level is changed when the molecule is in the electric dipole layer.

Science.gov (United States)

Charge flow and valence/d-band behavior in ion-beam-mixed (IBM) Pd1-xAgx (x = 0.5-0.9) alloys have been studied by X-ray photoemission measurement of the valence bands and of core-level binding energy shifts and X-ray absorption near-edge structure. We correlated the observed Ag 3d5/2 core-level shifts in these IBM alloys, relative to the elemental Ag, with the White Line area changes at the Pd and Ag L3-edge to investigate the charge redistribution at the Ag site. The results indicate that there is a decrease in sp-like conduction electron and a negligible change in the number of d-electrons at the Ag site upon alloying. These results are in line with our previous results in which Pd gains d-charges and loses sp-type charges. This electron redistribution due to hybridization in the alloy leads small net charge transfer from the Ag site to the Pd site in accordance with ...

International Nuclear Information System (INIS)

The energy bands and the nature of the conduction electrons have been studied for two intermetallic compounds of dysprosium, i.e, DyZn and DyRh, following the self-consistent augmented-plane-wave (APW) method. The convergence of energy was found to be rapid for DyZn because the shell of 3d"1"0 electrons for Zn lies below the conduction band. The Fermi energies (E/sub F/) have been calculated to be 0.421 and 0.477 Ry for DyZn and DyRh, respectively. The densities and the numbers of conduction electrons inside and outside the APW spheres in each of these compounds are calculated, and it is shown that the character of conduction electrons inside the APW sphere of Dy is predominantly of d type. In order to see the accuracy of these results, self-consistent calculations were done for DyZn for different choices of the exchange potentials, and the calculated number of conduction electrons did not change significantly. The ...

International Nuclear Information System (INIS)

Augmented plane wave calculation of gadolinium electronic structure crystallized in a hexagonal close-packed lattice is carried out.

Energy Technology Data Exchange (ETDEWEB)

AZ31 magnesium alloy was friction-welded to AM60 and the microstructures and the friction welding process were studied. The microstructures changed near the weld interface. The AZ31 was refined to a grain size of several {mu}m near the weld interface. The nucleation occurred in the shear bands that were introduced during the welding process. On the other hand, the eutectic structure was deformed and the lamellar structure which was composed of {alpha}-Mg and Mg{sub 17}Al{sub 12} was formed near the weld interface in AM60 alloy. In the friction process, the adhesion and peel off occurred alternately between AZ31 and AM60. Eventually, bonding was completed during upset process. (orig.)

International Nuclear Information System (INIS)

Interest to thin film of metals' silicides first of all is conditioned intrinsic al them unique physical properties. On their basis of it is possible to produce extremely sophisticated devices of solid-state electronics, production which needs the controlled change of physics, chemical and electrical properties with high-level of accuracy. On the present time most are in detail investigated composition, structure and properties of three-dimensional samples of metals' silicides. In the last years the intensive are led to researches in the direction of creation and study of physical-chemical properties thin (500-1000 Angstroms) and ultrafine (100-120 Angstroms) films silicides. It has information about composition, morphology of surface and emission of properties of thin film of silicides of barium, of cobalt and of palladium, was obtained in conditions of ultra-high vacuum. Low energy ion implantation and further annealing on composition, ...

British Library Electronic Table of Contents (United Kingdom)

The Formula Not Shown system of Formula Not Shown was first observed in auroral emissions by Meinel in 1950. Although the Formula Not Shown band system has been reinvestigated since this first spectral study, no laboratory spectrum of the (2,1) vibronic band has been obtained. We have recently built a continuous-wave cavity ringdown spectrometer, and as a first test of this spectrometer we observed the (2,1) band of Formula Not Shown in a positive column discharge cell. Many lines of the first positive band system of Formula Not Shown were also identified during the process of assigning this spectrum. The relative intensities of the Formula Not Shown and Formula Not Shown bands were found to change with discharge cell pressure, and so each spectral region was observed at two pressures to a...

Energy Technology Data Exchange (ETDEWEB)

In this study, WO{sub 3} thin films were grown on glass substrates using an aqueous solution containing tungstate (NH{sub 4}){sub 2}WO{sub 4} as precursor. The substrate temperature incremented from 250 to 500 deg. C, by steps of 50 deg. C. The structural properties were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. Microprobe analyses showed that a balanced stoichiometric composition was obtained for thin films prepared at T{sub s} = 350 and 400 deg. C. The X-ray diffraction analyses showed different structure crystallography in function of the substrate temperature. Moreover, films deposited at 400 deg. C were annealed in air for 2 h at 450 and 500 deg. C, respectively and the structural changes due to heat treatment were studied. Finally, the optical properties of these films were carried out using optical measurements of transmittance T({lambda}) and ...

Energy Technology Data Exchange (ETDEWEB)

High-spin states in the mirror pair nuclei {sup 49}Cr and {sup 49}Mn and their cross-conjugate partners, the mirror pair {sup 47}V and {sup 47}Cr have been investigated using experimental {gamma}-ray spectroscopic techniques. The combination of high-efficiency EUROBALL cluster Germanium detectors and clean exit-channel gating afforded by a 31-element silicon ball used in conjunction with a 15-detector neutron wall allowed a revision and extension to the energy level schemes of all four nuclei up to J{sup {pi}}=31{sup -}/2. The difference in excitation energy between states of equivalent spin in the parent nucleus and its analogue partner have thus been established for both mirror pairs up to the f{sub 7/2}-shell band terminating state for the first time. This difference is assumed to be due almost entirely to the Coulomb effect and is therefore called the Coulomb energy difference (CED). The variation in the CED with spin has been interpreted as reflecting the ...

Science.gov (United States)

Homogenous Al{sub x}Ga{sub 1{minus}x}P liquid phase epitaxial layers have been obtained with the temperature difference method under controlled vapor pressure (TDM-CVP). Very clear fine structures near band edge in photoluminescence spectra have been observed at 77 K for the first time. Photoluminescence measurement results confirmed that the free exciton recombination without phonon assistance plays an important role in the luminescence at 77 K and becomes dominant at room temperature. It is considered that Zero-phonon assisted free exciton recombination is intensified by some local perturbations to electrical potentials against carriers or excitons introduced by Al atoms in Al{sub x}Ga{sub 1{minus}x}P layers, which can give momentum change necessary for recombination.

Energy Technology Data Exchange (ETDEWEB)

Calculating work-function modifications for flat-lying conjugated molecules on extended metal surfaces using density functional theory (DFT) is an extremely resource intensive task. This prevents fast screening of new molecules for their potential to optimize metal work functions for good electron or hole injection in organic electronic devices. We present a semi-classical model, which avoids that problem. This is achieved by identifying the dominant processes occurring at the interface between metal and adsorbate in the pinning-regime, which are then parameterizing their description using band-structure DFT calculations for a small training set With the resulting interdependent equations at hand, only simple gas-phase calculations are needed to predict the work-function changes induced by new molecules. The model is tested for ten molecules on three different metal surfaces, where it shows excellent agreement with photoelectron spectroscopy ...

Energy Technology Data Exchange (ETDEWEB)

K{beta}-to-K{alpha} X-ray intensity ratios of Ti, Cr, Fe and Co in pure metals and in Cr{sub 0.26}Fe{sub 0.74}, Cr{sub 0.80}Co{sub 0.20} and Ti{sub 0.80}Cr{sub 0.20} alloys have been measured following excitation by 59.54 keV {gamma}-rays from a 7400 MBq (200 mCi) {sup 241}Am point-source. The valence electronic structure of Ti, Cr, Fe and Co in the samples have been evaluated by the comparison of the measured K{beta}-to-K{alpha} intensity ratios with the results of multiconfiguration Dirac-Fock calculations performed for various electronic configurations of these metals. The 3d-electron populations obtained for pure metallic Ti, Cr, Fe and Co agree well with the results of band structure calculations of Papaconstantopoulos (Handbook of band structure of elemental solids, Plenum Press, New York, 1986). Our analysis indicates significant increase of 3d-electron population of Ti, Cr ...

International Nuclear Information System (INIS)

Authors obtained T1-weighted MRI images of the femoral head after fracture of the femoral neck and classified the signals into four patterns to investigate the sequential changes of the femoral head. The T1-weighted MRI images obtained initially after femoral neck fracture showed a normal pattern in 10 of the 15 hip joints studied. MRI images obtained subsequently still showed the normal signal pattern in eight of the 10 hip joints which had shown the normal pattern in the first MRI, while two of the 10 joints subsequently showed a band pattern. The joint with the homogeneous pattern in the first MRI subsequently showed a band pattern. Of the three joints with an inhomogeneous pattern in the first MRI, two joints showed a subsequent band pattern, and the other a normal pattern. The joints which showed a band pattern continued to show a similar band pattern. ...

International Nuclear Information System (INIS)

Energy band diagrams of LaCuOCh (Ch = S, Se and Te) were calculated by a full-potential linearized augmented plane-wave method. The calculations, based on the local density approximation with/without an on-site Coulomb repulsion parameter, were to examine the energy levels of La 4f states. The results of the calculations showed that the on-site correlation parameter is necessary for evaluating the energy levels of La 4f states appropriately. The calculations for LaCuOCh with the on-site correlation parameter revealed that LaCuOS and LaCuOSe have almost the same energy band structure with a direct allowed-type band gap, while LaCuOTe has significantly different conduction band structure that exhibits an indirect-type band gap. This difference in electronic structure between LaCuOCh (Ch = S, Se and Te) is consistent with ...

Energy Technology Data Exchange (ETDEWEB)

We present the results of a comprehensive study of the temperature dependences of the quantum efficiency for ultraviolet detectors based on GaAs, GaP and 4H--SiC Schottky structures, and on Si, GaAs p-n structures. For ultraviolet detectors based on Schottky structures, the quantum efficiency increases with increasing temperature for all photon energies, even including the semiconductor intrinsic absorption region. On the other hand, for ultraviolet detectors based on p-n structures, the quantum efficiency is practically temperature independent in the semiconductor intrinsic absorption region. The change in the quantum efficiency for the GaAs and Si detectors is less than 0.01% per degree. To explain the measurements, a variable trap occupancy model is presented. Subsurface imperfections of the semiconductor cause fluctuations in the profile of the conduction ...

International Nuclear Information System (INIS)

The self-consistent-pseudopotential method is applied to the A-15 compounds Nb_3Ge and Nb_3Al. The Fermi energy is found to lie in a region of very flat bands having a bonding character along the Nb chains. Comparison with the band structures of the (nonexistent) A-15 materials Nb_3Nb and Nb_3/sup asterisk/ (chains only) suggest that the p states on the Ge and Al atoms are instrumental in determining the position of the Fermi level. There is little evidence for rigid-band behavior in the Nb_3Al/sub x/Ge/sub 1-x/ system. Studies of the effects of chain dimerization in Nb_3Ge suggest that states at R and M are more likely candidates to participate in structural transitions than states at GAMMA or X.

Science.gov (United States)

The visible absorption spectra of 1,4-(dihydroxy)-9,10-anthraquinone and of Co(II), Ni(II), Cu(II) and Zn(II) chelates have been studied in different organic solvents. This system provides a model for the anthracycline antibiotics and their metal chelates. The band structure of the spectrum has been determined using the second and fourth derivatives of the spectrum. The visible absorption band of the parent molecule can be assigned to a single electronic state with a reduced dipole moment in the excited state; structure in this band is ascribed to two overlapping vibrational progressions. In contrast, the dianion (hydroxy protons removed) shows a single electronic state with an increased dipole moment in the excited state; structure in this band can be assigned to a single vibrational progression. All of the metal chelates show spectra which ...

International Nuclear Information System (INIS)

Three major monomeric hemoglobins have been isolated from the erythrocytes of Glycera dibranchiata. Their importance to structure-function studies of heme proteins lies in the fact that they have been shown to possess an exceptional amino acid substitution. In these proteins, the E-7 position is occupied by leucine rather than the more common distal histidine. This substitution alters the polarity of the heme ligand binding environment compared to myoglobin. Due to this, the G. dibranchiata monomer hemoglobins are attracting much attention. However, until now no purity criterion has been developed. Here the authors demonstrate that, for all of the Glycera momomer hemoglobins, multiple line patterns are shown on high-voltage isoelectric focusing (IEF) gels. Most of these lines are shown to be a consequence of heme-related phenomena and can be understood on the basis of changes in oxidation and ligation state of the heme iron. The multiple line ...

International Nuclear Information System (INIS)

The structural, electronic and optical properties of ZnX and CdX (X = Se, Te and S) are studied using density functional theory by the Wien2k package. The energy band gap, real and imaginary parts of the dielectric function, energy loss function, optical absorption coefficient and reflectivity spectra of these compounds are calculated. The Engel-Vosko approach improves the energy band gaps of ZnX and CdX compounds. The calculated optical parameters are in good agreement with available experimental results, particularly in the Engel-Vosko approach. Furthermore the effect of hydrostatic pressure on the energy band gap, the real and imaginary parts of the dielectric function of these compounds is studied. The first and second order pressure coefficient for the energy band gaps, the static dielectric function and the static reflectivity spectra are calculated.

CERN Document Server

A new constraint of clustering for the AMD calculation is proposed. This new constraint gives us large improvement in studying the cluster structure by AMD which sometimes meets difficulty in giving rise to some specific cluster configurations. The usefulness of this new constraint is verified by applying it to the the study of the third $K^\\pi = 0^+$ band of $^{20}$Ne which has been discussed to have $2\\alpha$-$^{12}$C structure. This band has not been easy even to construct by AMD. We see that the AMD+GCM calculation by the use of the new constraint gives rise to the third $K^\\pi = 0^+$ band which contains the $2\\alpha$-$^{12}$C structure as an important component.

International Nuclear Information System (INIS)

Uniform and transparent thin films of Zn_1_-_xCo_xO (0 #=# 0.035, CoO (cubic) was detected as the secondary phase. Influence of Co addition on the volume fraction of grain boundaries has been interpreted. Increase in Co content in the range 0 #<=# x #<=# 0.10 led to quenching of near-band edge and blue emissions, decrease in band gap energy (E_g) from 3.36 eV to 3.26 eV, decrease in film thickness and refractive index and an increase in extinction coefficient of Zn_1_-_xCo_xO thin films. The change in nature of stress from compressive to tensile with lower to higher doping of Co is corroborative with the angular peak shift of (002) plane of ZnO lattice. An overall increase in microhardness of Zn_1_-_xCo_xO thin films up to x = 0.05 is attributed to change in microstructure and evolution of secondary phase and as the secondary phase separates out the overall stress is released leading to lowering ...

International Nuclear Information System (INIS)

K#beta#-to-K#alpha# x-ray intensity ratios of Fe and Ni in pure metals and in Fe_xNi_1_-_x alloys (x=0.20, 0.50, 0.58) exhibiting similar crystalline structure have been measured following excitation by 59.54 keV #gamma# rays from a 200 mCi "2"4"1Am point source to understand why the properties of the Fe_xNi_1_-_x (x=0.2) alloy are distinct from other alloy compositions. The valence electronic structure of Fe and Ni in the samples has been evaluated by comparing the measured K#beta#-to-K#alpha# intensity ratios with the results of multiconfiguration Dirac-Fock calculations. Significant changes in the 3d electron population (with respect to the pure metal) are observed for Fe and Ni for certain alloy compositions. These changes can be explained by assuming rearrangement of electrons between 3d and (4s,4p) band states of the individual metal atoms. It has been found that the valence ...

International Science & Technology Center (ISTC)

Fundamental Research of Materials Structure and Properties Changes Resulted from Irradiation by Means of Complex of Modern Physical Methods

International Nuclear Information System (INIS)

Nonrelativistic band calculations of Mattheiss for Nb and Petroff and Viswanathan for Mo are used to calculate the imaginary part epsilon_2 of the dielectric function for these metals. The structure resulting from interband transitions in the frequency range 0.1--0.5 Ry is found to give fairly good agreement with experiment. The calculation indicates that structure in epsilon_2 can arise from transitions away from symmetry points and lines in the Brillouin zone. The difficulty in distinguishing between the direct and indirect transition models for epsilon_2 is shown to arise from a lack of strong optical critical points. Predictions of the rigid-band model for the optical properties of Nb-Mo alloys are presented.

British Library Electronic Table of Contents (United Kingdom)

We present a comparative study on the acoustic tunneling through artificial periodical composites, from phononic crystals to acoustic metamaterials. We find that the features of the acoustic tunneling are closely related with the origins of band gaps. In particular, the band gap associated with the negative effective material parameter in the metamaterial results in a better analog of the tunneling effect to the quantum system.

International Nuclear Information System (INIS)

Absorption spectra of the CT bands of I_2 complexes with Et_2O, Et_2S, and Et_2Se in heptane have been measured up to 4400 bar at 25"0C. The equilibrium constants and the volume changes accompanying complex formation, and the molar extinction coefficients and absorption maxima have been estimated. The volume changes were comparable with those estimated by the visible I_2 bands and by the X-ray data of the I_2 complexes in the crystalline state. In the CT bands of Et_2S-I_2 and Et_2Se-I_2 complexes inversion of shift from red to blue has been observed with increasing pressure though the CT band of Et_2O-I_2 complex shifted only through red. This inversion appears to be characteristic of the strong CT complex. Enhancement of the molar extinction coefficient of the CT band has been found with increasing pressure suggesting enhancement of the CT ...

Energy Technology Data Exchange (ETDEWEB)

Cretaceous and Tertiary strata are known from outcrop in the northeast part of the area, while older rocks are presented in the southwest. The major structures are, from north to south: the Pedley Thrust, Coalspur Triangle Zone (formerly called Coalspur Anticline), Entrance Syncline, Mercoal Thrust, Brazeau Flats, Brazeau Thrust, Brazeau Syncline, Grave Flats Thrust, Cadomin syncline and Nikanassin Thrust. The economic coal seams of the Tertiary Coalspur Formation are of high volatile C rank and are present in three parallel bands in the Entrance Syncline and Coalspur Triangle Zone, where they have been mined extensively in the past. The Mercoal band is the southernmost and dips about 30[degree] to the northeast. The Coalspur band is in the middle and dips generally to the southwest. The Robb band is the northernmost band, contains northeast dipping strata and ...

Wastenet

animation The structure of the creative industries is changing Previously there were small numbers of producers and a

Energy Technology Data Exchange (ETDEWEB)

Relativistic mean field (RMF) theory is applied to modern problems of nuclear structure, such as the description of rotating bands in super-deformed nuclei or the investigation of neutron halos in light exotic nuclei. (orig.)

International Nuclear Information System (INIS)

High-spin states in "1"7"7Ta were produced using the "1"7"0Er("1"1B, 4n) reaction at 55 and 60 MeV. Considerable extensions have been made to the previously known level scheme, and new structures have been found. B(M1)/B(E2) ratios have been extracted for strongly coupled bands. The behavior of the different rotational cascades, in particular the anomalous crossing frequency observed in the [541]1/2"- proton h_9_/_2 band and the occurrence of ''identical bands,'' is discussed. Comparisons are made with projected shell model calculations.

International Nuclear Information System (INIS)

Accurate full-potential self-consistent linearized augmented-plane-wave (FLAPW) calculations have been carried out for hexagonal boron nitride. The resulting energy-band structure indicates that this material is an indirect-gap insulator and shows the existence of two unoccupied interlayer bands, similar to those found in graphite and graphite intercalation compounds. Chemical bonding is mainly covalent, with a small charge transfer towards the nitrogen atoms. Moreover, model-potential calculations, based on first-principles FLAPW wave functions and potentials, have been used to study slabs of thickness up to 35 layers. Contrary to the case of graphite, our results do not provide evidence of surface states associated with the interlayer bands.

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of the C15, or cubic-Laves-phase material, UAl/sub 2/ has been calculated using the linearized relativistic augmented-plane-wave method. The anomalous behavior of the electrical resistivity, specific heat, and magnetic susceptibility can be explained by the fine structure of the density of states near the Fermi energy alone, without the necessity of the introduction of drastic spin fluctuations or many-body effects.

Energy Technology Data Exchange (ETDEWEB)

Biodegradable and green plastics are the new tendency in the world. The effect of the electron beam irradiation in aromatic aliphatic copolyester and the blend with corn starch films (Ecoflex{sup R} and Ecobras{sup R}) were studied by tensile strength at break, elongation at break, Scanning Electronic Microscopy (SEM), Fourier Transform Infrared Spectroscopy (FT-IR), Differential Scanning Calorimetry (DSC), crosslinking degree and biodegradability. The measurements in both, the machine direction and the transverse direction were made for mechanical tests. It was found that, the electron irradiation caused an increase in the strength at break of the blend with corn starch film, when doses of up to 10 kGy were applied. A significant decrease of the elongation at break of the blend with corn starch was observed at doses of 10 kGy and 40 kGy. It was not found important change in tensile properties for aromatic aliphatic copolyester. Structural ...

International Nuclear Information System (INIS)

The structural and electronic properties of the A-15 compounds Nb_3Rh and Nb_3Ir were studied by means of escalar relativistic full-potential linearized augmented-plane wave (FP-LAPW) calculations with generalized gradient corrections. An investigation of the band structure of the hypothetical Nb_3Nb compound was also performed at the theoretical equilibrium lattice constant to ascertain the contribution of the nontransition elements on the B site in these A_3B-type compounds. Band structures and total densities of states were obtained. A rough estimate of the electron-phonon coupling parameter #lambda# as well as of the electronic specific-heat coefficient #gamma# were obtained for both Nb_3Rh and Nb_3Nb, which confirms that this latter is a low-temperature superconductor with T_c - 10K.

Energy Technology Data Exchange (ETDEWEB)

A deep band of {l_brace}311{r_brace} defects was created 520 nm below the silicon surface with a 350 keV Si implant followed by a cluster-forming rapid thermal anneal (800 C, 1000 s). Chemical etching was used to vary the depth to the surface of the {l_brace}311{r_brace}-defect band. Afterwards, the defect dissolution was investigated at 750 C for different times. Varying the depth in this fashion assures that only the depth and no other feature of the cluster distribution is changed. The {l_brace}311{r_brace} defects were analyzed by plan-view, transmission electron microscopy. We show that the dissolution time of the {l_brace}311{r_brace}-defect band varies linearly with depth, confirming that surface recombination controls the dissolution and is consistent with analogous observations of transient enhanced diffusion.

International Nuclear Information System (INIS)

We studied the influence of alloying on the structural and electronic properties of the unrelaxed and relaxed Si_1_-_yC_y random alloys by means of ab initio theoretical calculations using two methods: (i) a supercell approach in connection with the plane-wave pseudopotential method; (ii) the full-potential augmented plane-wave plus local orbitals (APW+lo) method. The first method is used to obtain the relaxed atomic structure. The relaxed atomic positions obtained by pseudopotential calculations were used to calculate the band structure via the second method. The local density approximation was used for the exchange and correlation energy density functional. We investigated the lattice parameters and band gap energies. We found that a quite smaller gap appears in the neighborhood of y=0.03125 concentration of C atoms. The band gap shows a large anomalous bowing ...

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EPR and FT-IR absorption measurements have been performed for xCuO.(100-x)[2Bi{sub 2}O{sub 3}.B{sub 2}O{sub 3}] glass system, with 0{<=}x{<=}50 mol%. The mode in which the addition of the copper ions influences the structure of 2Bi{sub 2}O{sub 3}.B{sub 2}O{sub 3} glass matrix was analyzed. The EPR absorption spectra revealed the presence in the glass structure of Cu{sup 2+} ions in axially distorted octahedral environments. EPR data pointed out the simultaneous presence of Cu{sup 2+} and Cu{sup +} ionic species in the glasses with x{>=}5 mol%. For x>10 mol%, the Cu{sup 2+} ions participate in the superexchange magnetic interactions, which increase with CuO content. The FT-IR spectra showed the presence of some bands that are assigned to vibrations of Bi-O bonds from BiO{sub 3} pyramidal and BiO{sub 6} octahedral units and B-O bonds from BO{sub 3} and BO{sub 4} units. The data obtained by these ...

Science.gov (United States)

Mar 1, 2011 ... thermal behavior and structural changes of composite sandwich panels with a honeycomb core subjected to a variety of environmental effects. ...

Energy Technology Data Exchange (ETDEWEB)

We give a theoretical design for a locally resonant two-dimensional cylindrical structure involving a pair of C-shaped voids in an elastic medium which we term as double 'C' resonators (DCRs) and imbedded thin stiff bars, that displays the negative refraction effect in the low frequency regime. DCRs are responsible for a low frequency band gap which hybridizes with a tiny gap associated with the presence of the thin bars. Using an asymptotic analysis, typical working frequencies are given in closed form: DCRs behave as Helmholtz resonators modeled by masses connected to clamped walls by springs on either side, while thin bars behave as a periodic bi-atomic chain of masses connected by springs. The discrete models give an accurate description of the location and width of the stop band in the case of the DCR and the first two dispersion bands for the periodic thin bars. We then combine ...

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The pressure dependence of the photoluminescence (PL) transition associated with the fundamental band gap of ZnO nanowires has been studied at pressures up to 15 GPa. ZnO nanowires are found to have a higher structural phase transition pressure around 12 GPa as compared to 9.0 GPa for bulk ZnO. The pressure-induced energy shift of the near band-edge luminescence emission yields a linear pressure coefficient of 29.6 meV/GPa with a small sublinear term of -0.43 meV/GPa{sup 2}. An effective hydrostatic deformation potential -3.97 eV for the direct band gap of the ZnO nanowires is derived from the result.

International Nuclear Information System (INIS)

Electronic energy bands of LaH"2 and NdH"2 have been calculated by the composite-wave variational version of the augmented plane wave method. Crystal potentials for both the hydrides were constructed by the superposition of the atomic potentials of Herman and Skillman. From the band structure data, density of states, joint density of states, optical absorption spectra and Fermi surfaces of these two hydrides have been calculated. The results of the optical studies have been successfully compared with the experimental results of Weaver et al. From the theoretical point of view the present results for LaH"2 have been satisfactorily compared with the results of Gupta et al. Since no theoretical calculation exists for ndH"2, theoretical comparison, in this case, was not possible for NdH"2. (author).

International Nuclear Information System (INIS)

The electronic structure and optical properties in tetragonal ceramics PbTiO_3, are studied by using full-potential linearized augmented plane wave method in density functional theory with the generalized gradient approximation by WIEN2K package. The theoretical calculated optical properties and energy loss spectrum yield a static refractive index of 2.59 and a plasmon energy of 22.7eV for the tetragonal phase. The effective electron number at low energy saturates near 22-23eV with the value of 50 for the effective electron number. The results show a indirect band gap of 2.2eV at the I' point in the Brillouin zone. The :calculated band structure and density of states of PbTiO_3 agree with previous experimental and theoretical results.

International Nuclear Information System (INIS)

Using an ab initio pseudopotential method within a generalized gradient approximation of the density functional theory, the structural, electronic, and phonon properties of SrS in the B1 (NaCl) and B2 (CsCl) structures have been studied. The calculated lattice constants, static bulk modulus, and first-order pressure derivative of the bulk modulus are reported for both the B1 and B2 structures and compared with previous experimental and theoretical calculations. Electronic band structures and densities of states have been derived for SrS. Subsequently, a linear-response approach to the density functional theory is used to derive the phonon frequencies and densities of states.

International Nuclear Information System (INIS)

The electronic structure of octahedral metal atom clusters Me_6 of 3d, 4d, and 5d transition metal atoms (V, Cr; Nb, Mo; Ta, W) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-Xsub(alpha) method). Equilibrium structures, energy level schemes, Fermi energies and band widths as well as densities of states of clusters are discussed in detail.

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The authors investigate the breakdown luminescence spectra in reverse-biased p-n heterojunctions based on gallium and aluminum phosphides and arsenides for the purpose of determining their behavior as lasing and photodetection materials. Data are given on temperature coefficients, band gap structure, bremsstrahlung, hot carrier mobility and photon emission, and transition and recombination parameters.

Energy Technology Data Exchange (ETDEWEB)

Electricity markets in the United States are undergoing unprecedented structural changes as a result of the confluence of regulatory, competitive, and technological forces. This paper introduces these structural changes and forces and discuss the implications, markets and commercialization scenarios for emerging fuel cells in evolving US electricity markets.

Energy Technology Data Exchange (ETDEWEB)

The acid-base behavior of the ground and excited states of Pt(qdt){sub 2}{sup 2{minus}} and Pt(phen)(qdt), where qdt=quinoxaline-2,3-dithiolate and phen = 1,10-phenanthroline, has been studied. The pH-dependent changes in the charge-transfer absorption and emission spectra for both complexes are attributed to protonation of the quinoxalinedithiolate ligand at the imine nitrogen. For Pt(qdt){sub 2}{sup 2{minus}}, single protonation leads to a large red shift (2582 cm{sup {minus}1}) of the low-energy charge-transfer-to-dithiolate absorption band and the emergence of a new red-shifted emission feature at 728 nm. In solutions of pH below 6, a second protonation takes place at the other qdt ligand, yielding Pt-(Hqdt){sub 2}. This neutral complex has been isolated and characterized by {sup 1}H NMR spectroscopy and elemental analyses. The ground-state basicity constants of the two protonation steps have been determined from spectrophotometric ...

CERN Document Server

Aims: I have analyzed a sample of seven nearby edge-on galaxies observed in the V and K'-band, in order to infer the properties of the dust distribution. Methods: A radiative transfer model, including scattering, have been used to decompose each image into a stellar disk, a bulge, and a dust disk. The parameters describing the distributions have been obtained through standard X^2 minimization techniques. Results: The dust disks fitted to the V-band images are consistent with previous work in literature: the radial scalelength of dust is larger than that for stars (h_d/h_s ~ 1.5); the dust disk has a smaller vertical scalelength than the stellar (z_d/z_s ~ 1/3); the dust disk is almost transparent when seen face-on (central, face-on, optical depth tau_0 =0.5-1.5). Faster radiative transfer models which neglect scattering can produce equivalent fits, with changes in the derived parameters within the accuracy of full fits ...

International Nuclear Information System (INIS)

The purpose of this work was to investigate the optical properties of several high T/sub c/ compounds in the form of sputtered films. The measurements are used toward this end: optical absorptance (using a calorimetric technique near 4.2K), which yields (after Kramers-Kronig analysis) the complex dielectric function, and thermoreflectance (which measures the change in reflectance in the optical range when a 1 to 10_0K temperature wave is applied), performed at two ambient temperatures (80 and 300_0K), yielding the differential dielectric function. The sputtered films included Nb"3Ge, Nb"3Al, V"3Ga and Nb"3Ir. It is noted that Nb"3Ir is not a high T/sub c/ superconductor. The thermoreflectance on the bulk samples V"3Si, V"3Ge and single crystal Cr"3Si were not performed because the samples were not in the form of thin films. The thermomodulation studies are correlated with the absorptance measurements in comparison to band ...

International Nuclear Information System (INIS)

The effects of hydrostatic pressure on the electronic band structure of the semiconductor mineral iron pyrite FeS_2 have been investigated theoretically by an ab initio full-potential linearized-augmented plane wave (FPLAPW) method within a local approximation (LDA/GGA) to the density functional theory. The calculations predict that at a pressure of 94.1 GPa the indirect band gap of pyrite FeS_2 vanishes and the material becomes a metal. This is due to the presence of the S-S and Fe-S bonds, which provide novel energy band distortions in the process of attaining the metallic state. Analysis indicates that, under increasing high pressure, the conduction bands (3p_z of sulfur and 3d_x_"2_-_y_"2+3d_x_y of iron) intrude downwards into the valence bands, which are predominantly 3d in nature. At normal pressure, the lattice constant, the bulk modulus, sulfur position ...

International Nuclear Information System (INIS)

We present first-time measurements of the Fermi surface and low-energy electronic structure of intermetallic compounds Gd_2PdSi_3 and Tb_2PdSi_3 by means of angle-resolved photoelectron spectroscopy (ARPES). We show that the Fermi surface in both compounds consists of an electron barrel at the #GAMMA# point surrounded by spindle-shaped electron pockets originating from the same band, with the band bottom of both features lying at 0.5 eV below the Fermi level. From the experimentally measured band structure, we estimate the momentum-dependent RKKY coupling strength and demonstrate that it is peaked at the 1/2#GAMMA# K wave vector. Comparison with neutron diffraction data from the same crystals shows perfect agreement of this vector with the propagation vector of the low-temperature in-plane magnetic order, thereby demonstrating the decisive role of the Fermi surface geometry in ...

Energy Technology Data Exchange (ETDEWEB)

The expression C/sub FB/ = C/sub ox/ x ({element of}/sub si//L/sub D/)/(C/sub ox/ + ({Epsilon}/sub si//L/sub D/)) (where L/sub D/ is the Debye length), commonly used for the flat-band capacitance of the MOS structure, is invalid in the temperature range below 100 {Kappa}. Consequently, significant error may be encountered when the flat-band capacitance method is used to extract the flat-band voltage V/sub FB/, which is of considerable interest for both the modeling and characterization of MOS devices. To extend this method to low-temperature CMOS applications one has to use a more general model that can be obtained by applying Fermi-Dirac statistics and taking into account the impurity freezeout effect. The authors show that when the temperature dependence of V/sub FB/ is extracted using this approach, the experimental data for n/sup +/ polysilicon gate MOS capacitors are in a good agreement with a ...

International Nuclear Information System (INIS)

We report a detailed augmented-plane-wave energy-band study and wave-function analysis of stoichiometric PdH which shows that, even though the Fermi surface of PdH is qualitatively similar to that of silver, the simple ''proton model'' is not valid. Instead, the screening of the proton in PdH is found to be larger than in an isolated H atom due, in part, to the formation of a H-Pd bonding band below the bottom of the d-band complex. This result, which is in qualitative agreement with Switendick's earlier calculation, is confirmed by ultraviolet photoemission experiments. A partial density-of-states (DOS) analysis in the energy range spanned by the six valence and conduction bands reveals the quantitative details of the bonding mechanism between the Pd and H constituents. At the Fermi energy, the high Pd d to H s DOS ratio approx. 10.3 is found to be far higher than expected in silver, despite the fact ...

CERN Document Server

Context: The colliding-wind binary Eta Car exhibits soft X-ray thermal emission that varies strongly around periastron, and non-thermal emission seen in hard X-rays and gamma-rays. Aims: To definitively identify Eta Car as the source of the hard X-ray emission, to examine how changes in the 2-10 keV band influence changes in the hard X-ray band, and to understand more clearly the mechanisms producing the non-thermal emission using new INTEGRAL observations obtained close to periastron. Methods: A Chandra observation encompassing the ISGRI error circle was analysed, and all other soft X-ray sources (including the outer shell of Eta Car itself) were discarded as likely counter-parts. New hard X-ray images of Eta Car were studied close to periastron, and compared to previous observations far from periastron. Results: The INTEGRAL component, when represented by a power law (with a photon index of 1.8), ...

International Nuclear Information System (INIS)

The energy bands and the nature of the conduction electrons have been studied for three intermetallic compounds of dysprosium. e.g., DyZn, DyCu and DyRh, following the augmented plane wave method. Density of states results are given and have implications for the stability of the structure of the intermetallic compounds of dysprosium. The charge densities and the number of conduction electrons inside and outside the APW spheres in each of these compounds are calculated; it is shown that the character of conduction electrons within the Dy APW sphere is principally of d type for all the compounds. The consequence of the predominance of d electron in the conduction bands on the various physical parameters is discussed. (author).

International Nuclear Information System (INIS)

The universal depression of the superconducting transition temperature T/sub c/ in disordered A-15 compounds is examined. Existing energy-band calculations are used to calculate the density of electron states, which is possibly enhanced by disorder in some cases such as Nb_3Ge. The dramatic drop in T/sub c/ in Nb_3Ge at a critical value of the resistivity is attributed to overdamping of acoustic plasmons which decreases the electron pairing interaction despite small changes in the density of states.

International Nuclear Information System (INIS)

First-principles self-consistent band-structure calculations of potassium titanyl arsenate, KTiOAsO_4 (KTA), have been made using the full potential linearized augmented plane wave (FP-LAPW) method. Total and partial densities of states of the constituent atoms of KTA have been derived. The results obtained show that the valence band of KTA is dominated by contributions of the O 2p-like states, while the Ti 3d-like states are the main contributors into the conduction band of the compound. Additionally, the FP-LAPW calculations have revealed that potassium atoms are highly ionized in KTA. In the present work, the X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy (XPS) methods were also employed to investigate experimentally the electronic structure of potassium titanyl arsenate. For the mentioned compound, the XES K Ll, Ti L#alpha#, As K#beta#_2 and O K#alpha# ...

British Library Electronic Table of Contents (United Kingdom)

A novel visible light sensitive photocatalyst, AgSbO3 was prepared by a conventional solid-state reaction method. This oxide belonging to a cubic-pyrochlore structure can absorb visible light with wavelength up to about 480nm. From the band structure calculation, we found that the top of the valence band consists of the hybridized Ag 4d and O 2p orbitals and the bottom of the conduction band mainly consists of the Ag 5s and the Sb 5s orbitals. Photocatalytic activities were evaluated using O2 evolution from an aqueous silver nitrate solution and decomposition of gaseous 2-propanol under visible light irradiation. We found that AgSbO3 shows a higher O2 evolution activity than WO3 and 2-propanol can be mineralized by the AgSbO3 photocatalysis under visible light irradiation.

Energy Technology Data Exchange (ETDEWEB)

X-ray magnetic circular dichroism (XMCD) was used to probe the existence of induced magnetic moments in yttrium iron garnet (YIG) films in which yttrium is partly substituted with lanthanum, lutetium or bismuth. Spin polarization of the 4d states of yttrium and of the 5d states of lanthanum or lutetium was clearly demonstrated. Angular momentum resolved d-DOS of yttrium and lanthanun was shown to be split by the crystal field, the two resolved substructures having opposite magnetic polarization. The existence of a weak orbital moment involving the 6p states of bismuth was definitely established with the detection of a small XMCD signal at the Bi M{sub 1}-edge. Difference spectra also enhanced the visibility of subtle changes in the Fe K-edge XMCD spectra of YIG and {l_brace}Y, Bi{r_brace}IG films. Weak natural X-ray linear dichroism signatures were systematically observed with all iron garnet films and with a bulk YIG single crystal cut parallel to the (1 1 1) ...

International Nuclear Information System (INIS)

The electronic structure of UPd_3 has been determined by means of XPS and BIS experiments. The core level line shapes and the valence band spectra of occupied and empty states clearly reveal the localized character of the 5f electrons in this actinide compound. From these spectra their Coulomb correlation energy is found to be about 2 eV. (author).

Energy Technology Data Exchange (ETDEWEB)

The structural and electronic properties of the A-15 compounds Nb{sub 3}Rh and Nb{sub 3}Ir were studied by means of escalar relativistic full-potential linearized augmented-plane wave (FP-LAPW) calculations with generalized gradient corrections. An investigation of the band structure of the hypothetical Nb{sub 3}Nb compound was also performed at the theoretical equilibrium lattice constant to ascertain the contribution of the nontransition elements on the B site in these A{sub 3}B-type compounds. Band structures and total densities of states were obtained. A rough estimate of the electron-phonon coupling parameter {lambda} as well as of the electronic specific-heat coefficient {gamma} were obtained for both Nb{sub 3}Rh and Nb{sub 3}Nb, which confirms that this latter is a low-temperature superconductor with T{sub c} - 10K.

Energy Technology Data Exchange (ETDEWEB)

The effect of ionizing radiation (2, 5, and 10 KGy of gamma rays) on muscle ultrastructure of grass shrimps (Penaeus monodon Fabricius) tails at ambient or frozen (-18{sup 0}C) temperature was investigated by transmission electron microscopy (TEM). No significant change was found in muscle ultrastructure of shrimp meat irradiated at doses of 2 or 5 KGy and then stored at 4{sup 0}C for 0 and 8 days. However, in shrimps which were irradiated at ambient temperature at a dose of 10 KGy, the margin of A-band of the myofibrils in longitudinal sections exhibited an irregular zig-zag pattern. In cross section some myosin filaments in the A-band regions were missing. A possible interpretation of these results would be that 10 KGy gamma irradiation dose at ambient temperature depolymerized myosin in the A-band from the tail of thick filament. Actin damage was also observed in some cross sections. Irradiation ...

International Nuclear Information System (INIS)

Laser-induced change is studied of the optical absorption and luminescence due to F-H pairs generated by an electron pulse in SrF_2. It is found that laser irradiation near 2.34 eV at a delay of 26 #mu#s after an electron pulse by which F-H pairs are generated reduces the component I of the pairs that has a decay time of 59 #mu#s and optical absorption bands at 2.34 and 4.13 eV and enhances the component II that has a decay time of 7.7 ms and has optical absorption bands at 2.7 and 3.35 eV. Laser irradiation near 2.7 eV at a delay of 4 ms after the electron pulse is found to induce the reverse reaction. Studies of dichroism of the laser-induced reduction and enhancement of the optical absorption bands and the luminescence reveal that the direction of the #SIGMA#-#SIGMA# transition of the F_2"- molecular ion is converted by the transformation from I to II and vice versa. It is suggested that the ...

Energy Technology Data Exchange (ETDEWEB)

Microstructure evolution under hot deformation was investigated in compression of a magnesium alloy AZ31 at 673 K (0.73T{sub m}). Two kinds of samples were machined along the parallel and transverse direction of the extruded rods. New fine grains are evolved at corrugated grain boundaries at low strains and developed rapidly in grain interiors in the medium range of strain, finally leading to a roughly full evolution of equiaxial fine grains. Kink bands are evolved at corrugated grain boundaries and in grain interiors at low strains. The boundary misorientation of kink band increases rapidly with increasing strain. These characteristics of new grain evolution process are not changed by the orientation of the samples, while the flow behaviors clearly depend on it. It is concluded that new grain evolution can be controlled by a deformation-induced continuous reaction resulting in grain fragmentation by kink ...

Energy Technology Data Exchange (ETDEWEB)

The level structure of the doubly-odd /sup 242/Am nucleus was investigated by means of thermal-neutron-capture gamma-ray and conversion electron spectroscopy. Pair, curved-crystal, and ..beta.. spectrometers were used. The data from these measurements, combined with previous direct reaction results, permit us to establish a detailed level scheme including six new well-developed bands. Our experimental results are interpreted in the framework of the Nilsson model. Precise Gallagher-Moszkowski splittings and Newby odd-even shifts extracted from the data are compared with theoretical calculations.

British Library Electronic Table of Contents (United Kingdom)

We investigate two routes to obtain negative group velocity bands in two-dimensional phononic crystal structures. The negative dispersion originates from the resonances of sub-wavelength building blocks and as such, the system should be regarded as acoustic metamaterials. The first kind of acoustic metamaterial exhibits effectively negative bulk modulus and negative mass density simultaneously. Monopolar and dipolar Mie resonances are combined to achieve an effective medium with negative refractive index. In particular, we present a double negative metamaterial for airborne sonic waves. We then show that we can obtain negative group velocity from quadrupole resonances, and the result is explained using the quasi-static approximation. The negative dispersion in quadrupole bands cannot be de...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

We present the recent results of our research on the high power ultra-fast silicon RF switches. This switch is composed of a group of PIN diodes on a high purity silicon wafer. The wafer is inserted into a cylindrical waveguide under TE{sub 01} mode, performing switching by injecting carriers into the bulk silicon. Our current design uses a CMOS compatible process and the device was fabricated at SNF (Stanford Nanofabrication Facility). 300 ns switching time has been observed, while the switching speed can be improved further with 3-D device structure and faster driving circuit. Power handling capacity of the switch is at the level of 10 MW. The switch was designed for active X-band RF pulse compression systems--especially for NLC, but it is also possible to be modified for other applications and other frequencies.

International Nuclear Information System (INIS)

We develop a continuum description for the axial segregation of granular materials in a long rotating drum based on the dynamics of the thin near-surface granular flow coupled to bulk flow. The equations of motion are reduced to the one-dimensional system for two local variables only, the concentration difference and the dynamic angle of repose, or the average slope of the free surface. The parameters of the system are established from comparison with experimental data. The resulting system describes both initial transient traveling wave dynamics and the formation of quasi-stationary bands of segregated materials. A long-term evolution proceeds through slow logarithmic coarsening of the band structure which is analogous to the spinoidal decomposition described by the Cahn-Hilliard equation. copyright 1999 The American Physical Society

International Nuclear Information System (INIS)

A new study on the pressure-induced phase transitions of TiO_2 has been performed using all-electron density-functional theory based computations with the projector augmented wave and the linearized augmented plane wave methods considering five experimentally observed structures. The static results yield a picture that is consistent with experiments, i.e., phase transitions with pressure are predicted as rutile #-># monoclinic baddeleyite (MI) #-># orthorhombic I (OI) #-># cotunnite (OII) on compression, and OII #-># OI #-># MI #-># columbite (TiO_2II) on decompression. The elasticities of these five polymorphs are compared. Except for the baddeleyite structure, which is considerably softer than the other polymorphs, all phases show a zero pressure bulk modulus in the range of 200-240 GPa, consistent with compression results and the single crystal elastic constant; on the basis of these results we can say that the cotunnite ...

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.

UK PubMed Central (United Kingdom)

Fear learning is associated with changes in synapse strength in the lateral amygdala (LA). To examine changes in LA dendritic spine structure with learning, we used serial electron microscopy to re-construct...Full Text Available

International Nuclear Information System (INIS)

By using a model dielectric matrix in electron self-energy evaluations the computational effort of a quasiparticle band-structure calculation for a semiconductor is greatly reduced. Applications to various systems with or without inversion symmetry, having narrow or wide band gaps, and semiconductor alloys demonstrate the reliability and accuracy of the method. Calculations have been performed for thirteen semiconducting or insulating materials: Si, LiCl, AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, InSb, and the Al_0_._5Ga_0_._5As and In_0_._5_3Ga_0_._4_7As alloys. Excellent agreement with experimental results is obtained for the quasiparticle energies for these materials. The only three exceptions, E(#GAMMA#_1_c) of AlP, E(L_1_c) of AlAs, and E(L_1_c) of AlSb are discussed and attributed to various experimental uncertainties. Several other quasiparticle-excitation-related properties are also examined in this work. The many-body corrections to ...

International Nuclear Information System (INIS)

We have already developed three conventional and one periodic permanent (PPM) type 50-MW class klystrons, a smart modulator, and the first HOM-free accelerator structure (Choke-mode type, full-scale high power model). A very stable ceramic high voltage monitor was successfully tested up to 367-kV with a 4.5-#mu#sec pulse. A new C-band SiC type high power rf-load, advancing the power handling capability up to 50-MW is now being designed. It should have excellent mass production characteristics as it uses circularly symmetric TM_0_1_1 chained cavities. The first high power prototype of an rf compressor cavity made of a low thermal expansion material (super Invar) was designed to provide stable operation even with a very high Q of 200-k, it was successfully tested the output rf power up to 135-MW, 0.5-#mu#sec pulse width and 50-pps repetition rate. The C-band linac rf-system will be used for the SASE-FEL (SCSS) production ...

International Nuclear Information System (INIS)

The CaWO_4:Ln"3"+ SiO_2 (Ln=Tb, Dy and Ho) nanoparticles were synthesized via a combustion process at 800 "oC, using citric acid as chelating agent and fuel, ammonium nitrate as fuel, boric acid as flux material and silica as supports. The persistent phosphor nanoparticles were characterized by X-ray diffraction (XRD), reflectance UV-vis and fluorescence spectroscopy (PL) and transmission electron microscopy (TEM) techniques. XRD patterns indicated that crystalline calcium tungstate with scheelite structure was produced. The reflectance UV-vis spectra showed the broad absorption band of WO_4"2"- groups and the PL spectra showed the WO_4"2"- wide excitation band, broad emission band of WO_4"2"- and characteristic emissions of Ln"3"+ ions. The average particle sizes were determined by TEM, which are about 50 nm.

International Nuclear Information System (INIS)

Molar heat capacities have been measured for VHsub(n) and NbHsub(n) with n up to 1.93 at temperatures between 1.5 and 16 K. The height of the peak in plots of the electronic specific heat, indicating superconductivity, diminishes with increasing hydrogen content in the #alpha# + #beta# two-phase region, and can be taken as a measure of the fractional amount of #alpha#-phase present (lever-rule). In NbHsub(n) accordingly, the two-phase region presumably extends up to n = approximately 0.9 at helium temperatures. No hydride phase, including VH_2 and NbH_2, showed superconductivity above 1.5 K. The measured #gamma#-coefficients of the V/H-alloys agree with APW band-structure calculations for V metal in the range 5 =< nsub(e) =< 7 of band electron concentration. They coincide with the #gamma#-coefficients of V/Cr-alloys reported in the literature. Hence VHsub(n) represents another example of the 'shifting bands' concept ...

UK PubMed Central (United Kingdom)

BackgroundStatistical autoregressive analyses of direct and delayed density dependence are widespread in ecological research. The models suggest that changes in ecological factors...Full Text Available

CSIR Research Space (South Africa)

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International Nuclear Information System (INIS)

Elemental substitution of Ca by Y was investigated for Ca-#alpha#-SiAlON:Eu yellow phosphors, which is useful for the white light-emitting diode lamps of phosphor conversion type. Depending on the ratio of the elemental substitution, not only the red shift of emission in wavelength occurred but also the figure of the excitation spectra changed. Their excitation band widths and flatness were discussed. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Science.gov (United States)

A finite three-dimensional layer-by-layer photonic crystal with planar defects in a layer is shown to drastically modify the spontaneous emission rate of an embedded dipole. Finite-difference time-domain calculations with one quarter symmetric boundary condition and perfectly matched layer demonstrate the strong enhancement effects induced by the cavity resonance of defect modes and band-edge resonant modes. Simulation shows that the emission spectra are quite different when the position or polarization of the dipole is changed. Moreover, the extraction efficiency is calculated to observe the percentage of light leakage through a substrate.

International Nuclear Information System (INIS)

We have performed self-consistent (SC) band structure calculations for the A15 compounds V_3X and Nb_3X, X = Al, Ga, Si, Ge, and Sn, using the augmented-plane-wave (APW) method. Relativistic effects (except the spin-orbit interaction) have been included in each SC cycle, along with corrections to the usual muffin-tin approximation. The latter apply the APW wave functions outside of the muffin-tin spheres to compute the interstitial charge densities and potentials. The resulting interstitial potential has full cubic symmetry (no spherical averaging), although a spherically averaged muffin-tin form is retained inside the spheres. The final SC potentials were used to generate energies and wave functions on a cubic mesh of 35 k points in 1/48th of the Brillouin zone. These results were interpolated onto a finer mesh of 969 k points using a symmetrized Fourier method; the densities of states (DOS), N (E), were determined using tetrahedral ...

British Library Electronic Table of Contents (United Kingdom)

The light-emitting properties of cubic silicon carbide films grown by vacuum vapor phase epitaxy on Si(100) and Si(111) substrates under conditions of decreased growth temperatures (T gr ? 900?700?C) have been discussed. Structural investigations have revealed a nanocrystalline structure and, simultaneously, a homogeneity of the phase composition of the grown 3C-SiC films. Photoluminescence spectra of these structures under excitation of the electronic subsystem by a helium-cadmium laser (?excit = 325 nm) are characterized by a rather intense luminescence band with the maximum shifted toward the ultraviolet (?3 eV) region of the spectral range. It has been found that the integral curve of photoluminescence at low temperatures of measurements is split into a set of Lorentzian components. Th...

British Library Electronic Table of Contents (United Kingdom)

Orthogonal frequency division multiplexing (OFDM) can fully use the frequency band and transmit data at high speeds. The ADSP-TS101 is a high performance digital signal processor (DSP) with good properties that include parallel processing and a high speed. Aimed at the real-time processing requirement of the OFDM algorithm, an underwater acoustic communication system with real-time processing capability is carried out. The system is mainly composed of multiple ADSP-TS101s, a multi-channel synchronous sample module and a field programmable gate array (FPGA) chip. The multiprocessor structure is made up of a cluster/data flow associated multiprocessing parallel processing structure as the operation kernel, and a multi-channel synchronous sample module is designed to realize no phase warp amo...

British Library Electronic Table of Contents (United Kingdom)

We report the first band structure calculations of the quasi-one-dimensional [MnTPP][TCNE] compounds (TPP?=?meso-tetraphenylporphyrinato, TCNE?=?tetracyanoethylene), based on Density Functional Theory (DFT) methods, in order to interpret the magnetic ordering in these prototypic systems. We compare and contrast the results of broken-symmetry DFT calculations for extended systems, with periodic boundary conditions, and for finite systems, magnetic dimers modeling the actual molecular magnets. By varying systematically the main angles, we are able to determine the geometry dependence of the exchange interaction. Structure?properties correlations in these charge-transfer salts reveal the determinant role of the Mn-(N?C)TCNE bond angle on the strength of the ferrimagnetic coupling between the ...

British Library Electronic Table of Contents (United Kingdom)

In this study, wood samples were exposed to light irradiations (direct sunlight, xenon lamp, mercury vapour lamp) and thermal treatments were carried out in dry- and in humid conditions at 90degreeC. One part of the samples was covered by an aluminium plate during light irradiation. The samples under the aluminium plate also suffered considerable chemical changes, monitored by infrared technique and colour measurement. The sunlight produced greater colour change under the aluminium plate than the artificial light sources. During light irradiation, the carbonyl band having two maximum at 1700 and 1746cm-1 increased and the peak of the aromatic skeletal vibration arising from lignin (1510cm-1) decreased together with the guaiacyl vibrations at 1275cm-1. There was absorption decrease at 1174c...

British Library Electronic Table of Contents (United Kingdom)

Multi-millennial climate changes were relatively minor over the mid-late Holocene in the British Isles, because orbitally forced insolation changes were smaller than those at higher latitudes. Centennial climate variability is thus likely to have exerted a greater influence on the environment and human society of the region. Proxy-climate records from the British Isles covering the last 4500years are assembled and re-evaluated with the aim of identifying centennial climate variability reflected by multi-proxy indicators. The proxies include bog oak populations, peatland surface wetness, flooding episodes from fluvial deposits, speleothem annual band width and oxygen isotopes, chironomids from lake sediments and sand and dune deposition. Most proxies reflect water balance rather than temper...

International Nuclear Information System (INIS)

Here we reported a two-step procedure for preparing a novel polymeric based solid-solid phase change heat storage material. Firstly, a copolymer monomer containing a polyethylene glycol monomethyl ether (MPEG) phase change unit and a vinyl unit was synthesized via the modification of hydrogen group of MPEG. Secondly, by copolymerization of the copolymer monomer and phenyl ethylene, a novel polymeric based solid-solid phase change heat storage material was prepared. The composition, structure and properties of the novel polymeric based solid-solid phase change material were characterized by IR, "1H NMR, DSC, WAXD, and POM, respectively. The results show that the novel polymeric based solid-solid phase change material possesses of excellent crystal properties and high phase change enthalpy.

International Nuclear Information System (INIS)

The structural changes attendant on intermartensitic transformation in a Ni-Mg-Ga shape memory alloy are considered using magneto-optical visualization with the help of ferrite-garnet monocrystalline films. It is established that on the intermartensitic transformation the complete reorganization of martensite macrostructure fails. Martensite crystals resulted from the basic transformation change somewhat their sizes on intermartensitic transition. The existence of large-scale labyrinth magnetic domain structure is revealed

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

The band structure (BS) of crystalline Bi_2Se_2Te both pure as well as deposited on Si or SiO_2 (substrates) was calculated for the first time. The calculation approach consists of an orthogonalization of the plane wave basis set with respect to the core-like orbitals and the application of the Perdew-Alder exchange-correlation scheme. In addition, a virtual crystal approach was applied. Experimental ellipsometric spectra were used as a criterion of the advantages of the different calculation techniques. The results of traditional one-electron methods of BS calculations, using norm-conserving pseudo-potential (NCPP), and full linear augmented plane wave (FLAPW), were compared with the experimental data. Better agreement with experiment is achieved when the NCPP wave functions are orthogonalized to the 4dBi core-like states. Concerning the LMTO and the FLAPW all-electron methods, only appropriate application of the virtual crystal approximation ...

Energy Technology Data Exchange (ETDEWEB)

ZnO thin films were electrodeposited in aqueous solution on gilded p-type Si wafer substrates. Thermal treatments were carried out on different films in Ar atmosphere at different temperatures, between 200 and 600 {sup 0}C. Surface morphology studies using scanning electron microscopy and atomic force microscopy show a smooth surface for an annealing temperature of 400 {sup 0}C with a roughness mean square value of about 15 nm and a precipitation of ZnO microcrystals on the deposit surface at 600 {sup 0}C. X-ray diffraction experiments reveal a decrease in the c-parameter value from 5.223 to 5.206 A after treatment at 600 {sup 0}C, due to the removal of hydrogen from the film. Raman spectroscopy analyses show an improvement in the crystal quality of the film and a decrease in the compressive stress inside the deposit. Photoluminescence observations reveal an important change in the UV emission band after annealing at 200 {sup 0}C. A visible ...

Science.gov (United States)

With the help of self-assembly, thermal sintering, selective etching techniques and sol-gel process, the non-close packed (ncp) face-centered cubic (fcc) photonic crystals of titanium dioxide (TiO2) hollow spheres connected by TiO2 cylindrical tubes have been fabricated using silica template. The photonic bandgap calculations indicate that the ncp structure of TiO2 hollow spheres was easier to open the pseudogaps than close packed system at the lowest energy. PMID:17097102

International Nuclear Information System (INIS)

Secondary-electron emission (SEE) spectra have been obtained with the Scanning Probe Energy Loss Spectrometer at a tip-sample distance of only 50 nm. Such short working distances are required for the best theoretical spatial resolution (<10 nm). The SEE spectra of graphite, obtained as a function of tip bias voltage, are shown to correspond to unoccupied states in the electronic band structure. The SEE spectra of thin gold films demonstrate the capability of identifying (carbonaceous) surface contamination with this technique.

International Nuclear Information System (INIS)

A methods is presented for an accurate numerical determination of eigenvalues of real symmetric para-p diagonal matrices. The method takes advantage of the band structure to break up the matrix into p x p blocks and performing algebraic operations including inversions on these blocks only, no matter what the size of the matrix is. The eigenvalues are determined independently one at a time. Thus any error in the determination of one eigenvalue does not affect the other eigenvalues. The method is ideally suited for the Schroedinger eigenvalue problem of the anharmonic potentials. (author).

International Nuclear Information System (INIS)

The experimental results of the components substitution effect on crystal structure, electronic transport properties, and Eu effective valence in solid solutions based on EuCu_2Si_2 and EuPd_2Si_2 ternary compounds are presented. It is shown, that when the Eu effective valence reaches the critical value #nu#"c"r_e_f_f=2.1, corresponding to degeneration of the 4f"7 and 4f"6 configurations, the condition of the concentrated Kondo system and an essential perturbation of the band electron spectrum near the Fermi level occur. (orig.).

International Nuclear Information System (INIS)

We present accurate tight-binding parametrizations of the first-principles augmented-plane-wave or linear-augmented-plane-wave band structures of LaCuO_3, La_2CuO_4, Ba_2CuO_4, and the high-temperature superconductor YBa_2Cu_3O_7. We discuss the methodology and efficient application of these fits, including as an example our tight-binding coherent-potential-approximation (CPA) calculations of the effects of disorder on the electronic structure of La/sub 2-//sub x/Ba/sub x/CuO/sub 4-//sub y/. Our CPA calculations support the hypothesis of a rigid-band lowering of the Fermi level for La/sub 2-//sub x/Ba/sub x/CuO_4, enhancing the density of states there. However, for La_2BaCuO/sub 4-//sub y/ they yield the interesting result that oxygen vacancies also lower E/sub F/ and raise N(E/sub F/). This is a significant result for the theory of superconductivity in these materials. In addition to CPA calculations, ...

Wastenet

... The relation between turbulence structure and a scalar detected using a new statistical test for the change in fractal dimension of a time-series, Department of Geography, University of Durham Workshop on Coherent Structures in Rivers Keylock C.J., Nishimura K., Nemoto M., Ito Y. 2006. The wake structure from fractal fences: implications for the control of turbulent suspensions, Warwick Turbulence ...

Energy Technology Data Exchange (ETDEWEB)

Moss-Schottky plots and photoelectrochemical measurements were made on films formed at different potentials on AISI 304 stainless steel in a borate/boric acid solution, pH 9.2. The results allowed the determination of the semiconductive properties and band structure of the films, which account for the existence of two kinds of films depending on the formation potential. For potentials below 0 V (SCE), the results point out for a film with an inverse spinel structure constituted by Cr-substituted magnetite with two donor levels. Above 0 V only one donor level is detected, which should be Fe{sup 2 +} on tetrahedral sites.

Energy Technology Data Exchange (ETDEWEB)

The growth and properties of Si{sub 1{minus}y}C{sub y} and Si{sub 1{minus}x{minus}y}Ge{sub x}C{sub y} alloys pseudomorphically strained on Si(001) will be reviewed. Although the bulk solubility of carbon in silicon is small, epitaxial layers with more than 1 at.% C can be fabricated. The relation between substitutional and interstitial carbon incorporation will be presented. Substitutionally incorporated C atoms allow strain manipulation, including the growth of strain-free or inversely strained Si{sub 1{minus}x{minus}y}Ge{sub x}C{sub y} layers. The mechanical properties, microscopic structure, thermal stability, as well as the influence of C atoms on band structure will be discussed.

Energy Technology Data Exchange (ETDEWEB)

Passive films formed on Alloy 690 in different pH solutions at high temperatures were studied by potentiodynamic polarization, Auger electron spectroscopy, thermodynamic diagrams and the Mott-Schottky relation. The chemical compositions and electronic structures of the passive films were found to be strongly pH-dependent. In alkaline solutions, a secondary passivation was clearly observed on potentiodynamic polarization curves. The passive films were a mixture of Cr{sub 2}O{sub 3} and FeCr{sub 2}O{sub 4} below the flat band potential of nickel oxide and were NiFe{sub 2}O{sub 4} above this potential. Electronic structure models, describing the electrochemical properties of the passive films, are proposed and discussed.

Energy Technology Data Exchange (ETDEWEB)

Spiral orbit tribometry friction tests performed on Ni-rich Ni55Ti45 titanium ball bearings indicate that this alloy is a promising candidate for future aerospace bearing applications. Microstructural characterization of the bearing specimens was performed using transmission electron microscopy and energy dispersive spectroscopy, with NiTi, Ni4Ti3, Ni3Ti, and Ni2Ti4Ox phases identified within the microstructure of the alloy. Density functional theory was applied to predict the electronic structure of the NixTiy phases, including the band structure and site projected density of states. Ultraviolet photoemission spectroscopy was used to verify the density of states results from the density functional theory calculations, with good agreement observed between experiment and theory.

Science.gov (United States)

The integrity and safety of beam-like structures are dependent in part on their boundary conditions which can vary with time due to damage or aging. Structural health monitoring of such structures should therefore include attention to boundary conditions. Where the boundary conditions can be represented by a lumped spring then the identification of associated stiffness parameter values may be a means to quantifying the integrity of the support. This paper investigates such a method for identifying the equivalent translational and rotational stiffness of a constrained tapered beam-like structure. An analytical model of a beam of tapered width and thickness is adopted as a simplified representation of a tower-like structure. The model is used to explore in what scenarios natural frequencies and/or nodal points might be sufficiently sensitive to changes in support ...

International Nuclear Information System (INIS)

The [402]5/2 bands in "1"7"7Ta which are ''identical'' to the neighboring even-even "1"7"6Hf groundstate band have been extended to higher angular momentum. These bands in the two nuclei are seen to diverge from each other in the region of the first i_1_3_/_2 neutron alignment. The lower observed crossing frequency for the [402]5/2 bands indicates a lower deformation for these bands compared to "1"7"6Hf. Extensions to the h_9_/_2 [541]1/2 yrast band are also reported. (orig.).

International Nuclear Information System (INIS)

For the intermetallic system CaCdsub(1-x)Tlsub(x), 0 <= x <= 1, the Knight shift Ksub(s) of the Cd-NMR and the Tl-NMR were calculated as a function of x, Ksub(s) = Ksub(s)(x). The theoretical investigations were performed on the basis of relativistic augmented-plane-wave (RAPW) band-structure calculations for the boundary phases CaCd and CaTl respectively, and by using the rigid band model for the ternary phases. The density of states and the matrix elements of the relativistic hyperfine operator for electron states at the Fermi surface were calculated in detail. The obtained values were compared with nonrelativistic calculations. The effect of using different exchange potentials was studied for Ksub(s)(Tl). For the Cd-NMR the relativistic effects enhance the nonrelativistic results by a factor of about 1.4. The theoretical value for the Knight shift is smaller than the experimental one by a factor of 1.13. The band ...

International Nuclear Information System (INIS)

This thesis is devoted to the study and development of Heterojunction Bipolar Transistors (HBTs) designed for high voltage operation. The work concentrates on the use of wide bandgap III-V semiconductor materials as the collector material and their associated properties influencing breakdown, such as impact ionisation coefficients. The work deals with issues related to incorporating a wide bandgap collector into double heterojunction structures such as conduction band discontinuities at the base-collector junction and results are presented which detail, a number of methods designed to eliminate the effects of such discontinuities. In particular the use of AlGaAs as the base material has been successful in eliminating the conduction band spike at this interface. A method of electrically injecting electrons into the collector has been employed to investigate impact ionisation in GaAs, GaInP and AlInP which has used the ...

Energy Technology Data Exchange (ETDEWEB)

Silver silica nanocomposites were obtained by the sol-gel technique using tetraethyl orthosilicate (TEOS) and silver nitrate (AgNO{sub 3}) as precursors. The silver nitrate concentration was varied for obtaining composites with different nanoparticle sizes. The structural and microstructural properties were determined by x-ray diffractometry (XRD), Fourier transform infrared spectroscopy (FTIR) and transmission electron microscopy (TEM). X-ray photoelectron spectroscopic (XPS) studies were done for determining the chemical states of silver in the silica matrix. For the lowest AgNO{sub 3} concentration, monodispersed and spherical Ag crystallites, with an average diameter of 5 nm, were obtained. Grain growth and an increase in size distribution was observed for higher concentrations. The occurrence of surface plasmon resonance (SPR) bands and their evolution in the size range 5-10 nm is studied. For decreasing nanoparticle size, a redshift and ...

International Nuclear Information System (INIS)

We report, for the first time to our knowledge, on the active optical planar waveguides in Nd : YAG laser crystals fabricated by O3+ ion implantation at low doses of ?1014 ions cm-2. The reconstructed refractive index profiles based on the measured dark-mode spectroscopy show that an enhanced refractive index well is created in the near-surface region, forming a non-leaky waveguide structure. With thermal annealing treatment at 260 0C for 90 min, the propagation losses of the waveguides could be reduced to ?3 dB cm-1 at a wavelength of 632.8 nm. The micro-luminescence investigation reveals that the emission bands of Nd3+ ions are not significantly affected by the waveguide formation processing, which shows promising potentials for efficient waveguide laser operations at near-infrared wavelength bands.

Energy Technology Data Exchange (ETDEWEB)

The coherent interaction of femtosecond laser pulses and a thin CdSe sample is investigated both experimentally and theoretically. Observation of coherent phenomena in semiconductors is very rare because the incoherent processes occur in the femtosecond time domain in these materials. One example of such a phenomena is the so called optical Stark effect of exciton where a blue shift of the exciton resonance occurs as a result of pumping below the bandgap. The coherent effects involving band-to-band and also exciton transitions. Using femtosecond transmission measurements clear evidence was observed for coherent interference effects of the light field and the driven material polarization. These interferences manifest themselves as oscillatory structures in the differential transmission spectra. The oscillatory features are explained by comparison with a semiclassical theory. Examples of the computed results are presented for different time ...

International Nuclear Information System (INIS)

Nitrogen doped Diamond-like carbon thin films were deposited on n-Si and SiO_2 substrates by rf magnetron sputtering using pure graphite (99.999%) as the target material and mixtures of Ar, N_2 and H_2 for plasma generation. The dependence of structural and optical properties on nitrogen content was investigated using XPS, Raman spectroscopy, FT-IR spectroscopy, and Ellipsometry studies. It was found that as the nitrogen content was increased in the plasma, sp"2 bonding favored. Also it was observed that oxygen contamination increased with nitrogen content. Typical C-H stretching modes connected with diamond-like carbon could be seen in FT-IR spectra. The I_D and I_G bands were well defined and it was observed that as nitrogen content increased I_G band was enhanced. Ellipsometry studies revealed that the optical constants like refractive index (n) and extinction co-efficient (k) increased with increase in nitrogen content ...

Energy Technology Data Exchange (ETDEWEB)

A study was made on the effect of 3.5 MeV electron irradiation on the properties of light-emissive structure based on GaAlAs. It is shown that a considerable decrease in the emitted light intensity as a result of electron irradiation not accompanied by changes in recombination- and electric properties of the mentioned structures. It is established by the electron-microscopy and Auger-spectroscopy meazurements that electron irradiation causes the occurrence of regions of free aluminium clusters on the external surface of the structure n-layer. The number and the sizes of the regions depend on the electron doze. It was assumed that the mentioned regions can play a role of attenuation filter for the light emitted by the structure.

International Nuclear Information System (INIS)

Exploration for epithermal Au has been active lately in the Aegean Sea of the eastern Mediterranean Basin, both in the islands of the Quaternary arc and in those of the back-arc region. The purpose of this study was the structural mapping and analysis for a preliminary investigation of possible epithermal gold mineralization, using remotely sensed data and techniques, structural and field data, and geochemical information, for a specific area on the Island of Lesvos. Therefore, Landsat-TM and SPOT-Pan satellite images and the Digital Elevation Model (DEM) of the study area were processed digitally using spatial filtering techniques for the enhancement and recognition of the geologically significant lineaments, as well as algebraic operations with band ratios and Principal Component Analysis (PCA), for the identification of alteration zones. Statistical rose diagrams and a SCHMIDT projection Stereo Net were generated from ...

International Nuclear Information System (INIS)

Passive films, formed on annealed and cold worked AISI 304 stainless steel in hot chloride media, were examined using polarization resistance and impedance measurements. The obtained results show the influence of cold work on film conductivity, which can be correlated to conditions of susceptibility to stress corrosion cracking. Capacitance measurements, using the Mott-Schottky approach, revealed that a change from n to p type semi-conductivity is associated to susceptible conditions with an increase in the doping density estimated for cold worked samples in the presence of chloride. It is assumed that p-type semi-conductivity of the passive film together with the position of the flat band potential has a strong influence on the dissolution processes at the corrosion potential. Based on this analysis the influence of plastic deformation, at the dislocation scale, is discussed. (authors)

International Nuclear Information System (INIS)

Using hydrogen at high pressures of up to 150 bar as an OH scavenger in aqueous MV"2"+ solutions (pH 1) it is possible to differentiate between two kinds of transient formed simultaneously by H-atom attack on methyl viologen. One of them is assigned to an H adduct on the N atom, MV"+H"+, with absorption bands identical to those of the radical cation, MV"+. The MV"+H"+ species deprotonates forming the long-lived radical cation, MV"+. The second type of transient produced is attributed to an H-adduct on the ring carbon, MV"2"+H, decaying by second-order kinetics. The formation of MV"+ by electron transfer from the propan-2-ol radical has been reinvestigated (pH 0 to 7); its absorption spectrum does not change in this pH range. Rate constants and molar extinction coefficients are presented. (U.K.).

UK PubMed Central (United Kingdom)

Alzheimer's disease (AD) is the most common form of dementia in the elderly. Although traditionally considered a disease of neurofibrillary tangles and amyloid plaques, structural and functional changes...Full Text Available

Science.gov (United States)

This study investigated weathering effects on polyvinyl chloride (PVC) based wood plastic composites (WPC), with a focus on the color and structure that is attributed to the material composition. It is directed towards quantifying the main chemical modifi...

UK PubMed Central (United Kingdom)

Understanding the mechanisms by which climate and predation patterns by top predators co-vary to affect community structure accrues added importance as humans exert growing influence over both climate...Full Text Available

UK PubMed Central (United Kingdom)

Objective:The aim of this study was to determine if there were focal cortical abnormalities in juvenile myoclonic epilepsy (JME) using neuropsychological investigations and MRI.Methods:Twenty-eight...Full Text Available

UK PubMed Central (United Kingdom)

Neonatal exposure to diethylstilbestrol (DES) can alter the structure of the testicular excurrent ducts in rats. We characterized these changes according to dose and time posttreatment and established...Full Text Available

UK PubMed Central (United Kingdom)

OBJECTIVEPrevious studies showed that genetic deletion or pharmacological blockade of the receptor for advanced glycation end products (RAGE) prevents the early structural changes...Full Text Available

UK PubMed Central (United Kingdom)

In the cellular immune response, recognition by CTL-TCRs of viral antigens presented as peptides by HLA class I molecules, triggers destruction of the virally infected cell (Townsend, A.R.M., J. Rothbard,...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This report discusses the procedures that establish the configuration control processes for the Hanford Environmental Information System (HEIS) software. The procedures also provide the charter and function of the HEIS Configuration Control Board (CCB) for maintaining software. The software configuration control items covered under these procedures include the HEIS software and database structure. The configuration control processes include both administrative and audit functions. The administrative role includes maintaining the overall change schedule, ensuring consistency of proposed changes, negotiating change plan adjustments, setting priorities, and tracking the status of changes. The configuration control process audits to ensure that changes are performed to applicable standards.

International Nuclear Information System (INIS)

Free Electron Laser (FEL) with wide wavelength tunability has been developed and used for various applications. We report the structural-changes in P-ion-implanted diamond when we can achieve resonant excitation of the vibrations of specific bonds in the lattice of target (P-C) by using FEL. The change of property was analyzed by SIMS and Raman spectroscopy. After 5.8 #mu#m-FEL irradiation, we observed the crystallization of amorphous structure which was induced by P-ion-implantation. These results indicated the FEL annealing of diamond at room temperature. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

Energy Technology Data Exchange (ETDEWEB)

Substantial changes in the radial distribution function of amorphous Si films have been observed in neutron-diffraction studies. The spectra indicate changes in short-range order associated with an approx.11% modification in the bond-angle distribution width. The results allow the first direct comparison of structural and vibrational Raman probes of variations in local order in thin-film amorphous solids. Good agreement is obtained between the measured bond-angle variation and that based on Raman estimates.

Energy Technology Data Exchange (ETDEWEB)

Systems with small sizes show significant changes compared to the bulk system. These changes are of major interest regarding the size reduction of technological applications. The hydrogen-metal system can be used as a model alloy to study small size features: shifted phase boundaries and sloped isotherms are found and, also, new materials structures. Most features can be attributed to surface- and interface contributions as well as to mechanical stress. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

International Nuclear Information System (INIS)

There are 173 three quasiparticle rotational bands, out of which 38 bands display signature splitting and sometimes a signature inversion also. The observed signature splitting is basically due to the higher order Coriolis coupling and calculation based on particle rotor model (PRM) are in progress

Energy Technology Data Exchange (ETDEWEB)

Faced with a changing business emphasis, plus the need to reduce operations and maintenance costs in the North Sea, the Forties Field engineering partnership between BP and Brown and Root recognised the need to make radical changes in its organisational structure. An innovative change management programme was planned and executed inside 12 months with the purpose of right-sizing the Forties Operations Engineering team. Not only has the initiative succeeded in cutting costs by 40 per cent; it has also enhanced the quality of engineering support services supplied to the BP Forties platforms. (author)

CERN Document Server

The existence of n-particle n-hole deformed yrare bands in the N=28 isotones is explored using full pf-shell diagonalizations and the Lanczos Strength Function method. We find different 2p-2h and 4p-4h collective bands that, when allowed to mix, more often disappear. Only the 2p-2h yrare band in Cr-52 and the 4p-4h yrare band in Ni-56 survive, and only in this latter case, due to the reduced density of 2p-2h states, can the band be seen as a gamma-cascade.

International Nuclear Information System (INIS)

Nonparabolicity of the heavy hole band in diamond-like semiconductors, which occurs within the framework of the three band model with the perturbation from the other bands taken into account according to the Loewdin procedure, is studied. A direct dependence of nonparabolicity on the band anisotropy (caused by the different effect of Gamma/sub 15c/ and Gamma/sub 12c/ bands) and the inverse dependence on the magnitude of the spin-orbit splittiing is established. A connection between the effective mass of heavy holes and their energy is obtained, which is valid for the majority of diamond-like semiconductors, except for materials with a very strong nonparabolicity of the band of silicon type.

Science.gov (United States)

Ternary copper(II) complexes [Cu(L1)B](ClO4) (1, 2) and [Cu(L2)B](ClO4) (3, 4), where HL1 and HL2 are tridentate NSO- and ONO-donor Schiff bases and B is a heterocyclic base, viz. dipyrido[3,2-d:2',3'-f]quinoxaline (dpq, 1 and 3) or dipyrido[3,2-a:2',3'-c]phenazine (dppz, 2 and 4), were prepared and their DNA binding and photoinduced DNA cleavage activity studied. Complex 1, structurally characterized by single-crystal X-ray crystallography, shows an axially elongated square-pyramidal (4 + 1) coordination geometry in which the monoanionic L1 binds at the equatorial plane. The NN-donor dpq ligand exhibits an axial-equatorial binding mode. The complexes display good binding propensity to calf thymus DNA, giving a relative order 2 (NSO-dppz) > 4 (ONO-dppz) > 1 (NSO-dpq) > 3 (ONO-dpq). They cleave supercoiled pUC19 DNA to its nicked circular form when treated with 3-mercaptopropionic acid (MPA) by formation of hydroxyl radicals as the cleavage active species ...

Energy Technology Data Exchange (ETDEWEB)

Polycrystalline ZnS semiconducting films have been prepared in sandwich configuration by spray pyrolysis technique using ZnO-coated glass substrates and mixed aqueous solutions of ZnCl{sub 2} and thiourea. The sandwich structures have been produced successfully by means of ZnO-coated glass substrates. The produced ZnS films have been crystallized in a wurtzite structure and had a direct band gap energy of 3.62 eV. The electrical properties of the sample have been studied by an analysis based on the thermally stimulated current spectra in the temperature range of 40-300 K with various heating rates. A set of curves of I (T) for varying initial density of filled traps at a heating rate of {beta} {sub 2}=0.06 K s{sup -1} indicate that the observed peaks in the TSC curve of polycrystalline ZnS films have first-order features. In order to evaluate the trap parameters of ZnS films, we have used curve-fitting method. The values of ...

International Nuclear Information System (INIS)

In this Letter, we study the structural, elastic and electronic properties of perovskite semiconductor SrTiO_3 using two different methods: the full-potential linearized augmented plane wave (FP-LAPW) method and the pseudo-potential plane wave (PP-PW) scheme in the frame of generalized gradient approximation (GGA). We have evaluated the ground state quantities such as lattice parameter, bulk modulus and its pressure derivative as well as the elastic constants. Also, we have presented the results of the band structure, densities of states and charge densities. These results were in favourable agreement with previous theoretical works and the existing experimental data. To complete the fundamental characteristics of this compound we have analyzed the thermodynamic properties such as thermal expansion coefficient, and specific heats in the whole pressure range from 0 to 20 GPa and temperature range from 0 to 1200 K.

Energy Technology Data Exchange (ETDEWEB)

The ortho-metalated Pt(II) complexes Pt(ppy)(CO)Cl (1), Pt(ptpy)(CO)Cl (2), and Pt(ppy)(Hppy)Cl (3) (where ppy and ptpy are respectively the ortho-C-deprotonated forms of 2-phenylpyridine and 2-p-tolylpyridine and Hppy is 2-phenylpyridine) have been prepared. The CO ligand is coordinated trans to the nitrogen atom of the ortho-metalated ligand and exerts a strong trans effect resulting in a relatively long Pt-N bond [2.114(19) {angstrom}]. This structure shows both the bidentate ppy ligand and the monodentate Hppy with the nitrogens of these ligands trans to each other. The UV/vis electronic absorption spectra of 1-3 have intense bands in the near-UV region ({approximately}375 nm) which have been assigned as metal to ligand charge transfer (MLCT) transitions, and higher energy bands were assigned as ligand-centered transitions. Each complex exhibits relatively long-lived structured emissions in the ...

Science.gov (United States)

Basic research of the structure and electronic properties of a-Si:H is reported with particular emphasis on the role of defects. The main findings are as follows: (1) low defect density material can be deposited at a high rate using SiH/sub 4/ diluted in He or Ne. Using Ar or Kr results in a high defect density and columnar material; (2) an electrical bias during deposition modifies the band gap, hydrogen concentration and structure; (3) the clustering of hydrogen in the regions between the columns is confirmed; (4) hydrogen diffusion is observed by NMR; (5) the oxidation of an a-Si:H surface results in approx. 3 x 10/sup 11/ cm/sup -2/ dangling bonds at the interface; (6) auger recombination of photoexcited carriers is a significant non-radiative mechanism at low temperatures; (7) non-radiative recombination by diffusion and capture at dangling bonds is observed at temperatures above 50 to 100/sup 0/K; (8) the defect ...

International Nuclear Information System (INIS)

We present results from the first studies of electric-field effects on optical transitions in visible-band-gap InGaP/InAlGaP multiple-quantum-well (MQW) structures. These structures, grown at 775 degree C by metalorganic vapor phase epitaxy on (100) GaAs substrates misoriented 6 degree towards P(111)right-angle left-angle 111 right-angle A, consist of nominally undoped MQWs surrounded by doped In_0_._4_9Al_0_._5_1P cladding layers to form p-i-n diodes. The Stark shifts of various allowed and forbidden quantum-well transitions were observed in bias-dependent electroreflectance spectra of In_0_._4_9Ga_0_._5_1P/In_0_._4_9(Al_0_._5Ga_0_._5)_0_._5_1P MQW samples with 10-nm-thick layers. We find the magnitude of these shifts to depend on the details of the Mg doping profile, confirming the importance of Mg diffusion and unintentional background doping in these materials. Our results show that (InAlGa)P materials are promising for ...

Science.gov (United States)

Space Network Ku-band service. ... Completed GLAST mission schedule and budget assessment .... Utilize Ku band SN link (TDRSS) for science data return ...

Energy Technology Data Exchange (ETDEWEB)

A micellar method has been used to prepare silver-coated cobalt (Co-Ag) nanoparticles. The synthesized particles have been deeply characterized by several methods, i.e., XRD, UV-Vis, TEM, XPS, and electrochemical techniques. There is every indication that the obtained particles show a truly core-shell structure. All the nanoparticles obtained under different conditions are in the size range 3-5 nm. High-resolution TEM (HRTEM), Fast Fourier Transformation (FFT), and Selected Area Electron Diffraction (SAED) indicated that the presence of hcp-Co and fcc-Ag, in which cobalt is located in the central area; meanwhile silver is at the edges of the nanoparticle. The absorption band of the Co-Ag colloid shifts to a longer wavelength and broadens relative to that of pure silver colloid. Voltammetric characterization allowed to determine the coverage of the cobalt core.

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.

CERN Document Server

We present mid-infrared spectro-imagery and high-resolution spectroscopy ofthe Orion bar and of a region in the Orion nebula. These observations have beenobtained in the Guaranteed Time with the Circular Variable Filters of the ISOcamera (CAM-CVF) and with the Short Wavelength Spectrometer (SWS), on board theEuropean Infrared Space Observatory (ISO). Our data shows emission fromamorphous silicate grains from the entire HII region and around the isolatedO9.5V star Theta2 Ori A. The observed spectra can be reproduced by a mixture ofinterstellar silicate and carbon grains heated by the radiation of the hotstars present in the region. Crystalline silicates are also observed in theOrion nebula and suspected around Theta2 Ori A. They are probably ofinterstellar origin. The ionization structure and the distribution of thecarriers of the Aromatic Infrared Bands (AIBs) are briefly discussed on thebasis of the ISO observations.

Energy Technology Data Exchange (ETDEWEB)

Photocurrent and capacitance measurements of semiconductor passive films formed on metals and alloys can be used to study the electronic properties and reveal indirect information about structure and composition. The current work used these techniques to investigate the electronic properties of the passive films formed on three austenitic stainless steels, types 304L, 316L and 254SMO, in borate. Evidence was found for the existence of a large number of localised mid bandgap states, consistent with amorphous oxides. However, the flat-band potentials of the austenitic stainless steel passive films were found to be independent of both composition and measuring frequency. The most credible explanation for the bandgap values determined from photocurrent measurements is that the passive films are formed as dual layers, iron oxide outer layer and chromium oxide inner layer. This model does not need to evoke the potential dependent bandgaps used by ...

British Library Electronic Table of Contents (United Kingdom)

Abstract High-crystallinity hierarchical anatase TiO2 hollow spheres were prepared by a high-temperature (350 C) and non-aqueous solvothermal method in the absence of water, templates, or additives. The hollow structures were assembled from highly crystallized TiO2 nanoparticles and exhibit superior photocatalytic properties relative to those of Degussa P25 TiO2 under irradiation with UV light. The influence of reaction temperature on the crystallinity, morphology, crystallite shape and size, band gap, specific surface area, and pore size distribution of TiO2 has been studied in detail. It is evident that reaction temperature is the most important factor to increase the crystallinity of TiO2 in order to improve its charge transfer and transport properties, which are important in photocatal...

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...

International Nuclear Information System (INIS)

Intermediate products of the conversions of 6-aminophenalenone in ethanol were investigated by pulse radiolysis. In alkaline medium the main product is the 6-aminophenalenone radical cation, the optical absorption spectrum of which contains two bands with maxima at 355 and 400 nm. The precursors of this particle are e_s, CH_3CHOH and CH_3CHO"- radicals. In neutral and acid medium, radical cations are protonated in reactions with alcohol and hydrogen ions. The H-adduct of 6-aminophenalenone that arises has optical absorption maxima at 350 and 390 nm. The presence of two maxima is due to two different structures of the product. The molar extinction coefficients of the radical anions and H-adducts of 6-aminophenalenone and the rate constants of the reactions involving them were estimated. 6 refs., 4 figs., 2 tabs.

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.

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.

Science.gov (United States)

Using Pd and Ag L3,2-edge x-ray-absorption near edge structures (XANES) and x-ray photoemission spectroscopy, we have investigated the charge distribution in a series of Pd-Ag alloys (Pd3Ag, PdAg, and PdAg3) from a local perspective. It is found that, relative to the pure element, both Pd and Ag gain d and lose non-d (s and p) charge upon alloying. The results are discussed in terms of band filling, rehybridization, electronegativity, and electroneutrality considerations. The possibility of using the L3,2-edge XANES white line to circumvent the need of an appropriate volume for charge transfer discussions and for other applications are noted.

Energy Technology Data Exchange (ETDEWEB)

The low-power operation of a semiconductor buried-heterostructure Raman laser is reported. We are developing these devices for very wide-band optical communication in the terahertz frequency region. It has a structure with a GaP active layer and Al{sub {ital x}}Ga{sub 1{minus}{ital x}}P cladding layers, which are grown by the temperature-difference method under controlled vapor pressure. By making the stripe width 30--40 {mu}m, we have obtained a threshold pump power of 500 mW. A low-threshold semiconductor Raman laser can be pumped by semiconductor injection lasers. We have measured the optical loss of the waveguide and detected the contribution from scattering and leakage at heterointerfaces.

British Library Electronic Table of Contents (United Kingdom)

In the present study the optical properties of co-evaporated indium sulfide thin films are investigated. Before being optically characterized, the composition as well as the crystalline properties of the film have been checked with the help of energy dispersive spectroscopy (EDX) and X-Ray diffraction (XRD) analyses. The optical absorption coefficient ? of this indium sulfide film has been deduced from reflectivity R(?) and transmission T(?) measurements. The fit of the curve representing ?(h?) suggests that the ?-In2S3 has an indirect bandgap of 2.01?eV. Density functional theory (DFT) calculations are performed on this indium sulfide compound, using TB-LMTO code. Through these band structure investigations, an indirect bandgap is predicted as observed experimentally. The top of the valen...

Energy Technology Data Exchange (ETDEWEB)

The structural variations of amorphous metals, such as Pd/sub 80/Si/sub 20/, with irradiation of helium ion, neutron, and gamma ray have been mainly pursued by the method of X-ray diffraction and thermal analysis. It should be noticed that the amorphous metals show a radiation resistance, that is, no remarkable structural changes under helium ion, neutron, and gamma ray irradiation.

British Library Electronic Table of Contents (United Kingdom)

Because the state of a free-floating space robot model is uncertain and sudden changes in the model parameters might undermine the stability of the system, this paper proposes a control strategy based on a variable structure neural integrated controller. This scheme does not need a precise space robot model, making use of the radial basis function neural network ability approach to learn about an uncertain model. The network weights are adjusted online in real-time. During the early period of the control phase and parameter changes, the variable structure controller compensates for the uncertain model which the neural network could not learn well. It also creates global asymptotic stability for the whole closed-loop system. Simulation results show that the controller can handle bad changea...

International Nuclear Information System (INIS)

Tm3+ and Dy3+ ions co-doped aluminoborosilicate glasses were prepared in this study. The luminescence properties of the glasses were analyzed. A combination of blue, green, yellow, and red emission bands was shown for these glasses, and white light emission could be observed under UV light excitation. White light luminescence color could be changed by varying the excitation wavelength. Concentration quenching effect was investigated in this paper. Furthermore, the dependence of luminescence properties on glass compositions was studied. Results showed that the luminescence intensity changed with different network modifier oxides, while the white color luminescence was not affected significantly. - Graphical abstract: Tm3+ and Dy3+ ions co-doped aluminoborosilicate glasses, which emit white light under UV light excitation, were prepared. The dependence of luminescence properties on glass compositions was studied, and results ...

Energy Technology Data Exchange (ETDEWEB)

When heated through the magnetic transition at T{sub C}, La{sub 0.7}Ca{sub 0.3}MnO{sub 3} changes from a band metal to a polaronic insulator. The Hall constant R{sub H}, through its activated behavior and sign anomaly, provides key evidence for polaronic behavior. We use R{sub H} and the Hall mobility to demonstrate the breakdown of the polaron phase. Above 1.4T{sub C}, the polaron picture holds in detail, while below, the activation energies of both R{sub H} and the mobility deviate strongly from their polaronic values. These changes reflect the presence of metallic, ferromagnetic fluctuations, in the volume of which the Hall effect develops additional contributions tied to quantal phases. (c) 2000 The American Physical Society.

International Nuclear Information System (INIS)

The evolution of metallic substance atomic structure is studied on temperature variation including crystal heating up to melting points, a crystal- liquid phase transition and initiation of a high-density liquid specific structure. It is marked that heat induced changes of simple metal structure can be described as changes around a natural elementary cell which is common for both a crystal and a liquid and consists of a central atom and Z_1 atoms of the first coordination sphere. On this basis the vacancy model of melting is verified. Concentrations of melting vacancies are determined by coordination numbers in the form of Z_1/(1+Z_1)"2 which are the same for both a crystal and a natural elementary cell. The size of natural elementary cells is in an agreement with that of the coordination sphere featured in the liquid and phase transition statistical theory. Calculated data are ...

Energy Technology Data Exchange (ETDEWEB)

For high-efficiency coal gasification, investigations were given on effect of coal chars with different conversion rates on coal gasification reactivity. In coal gasification, reactivity of char after pyrolysis governs the efficiency. The reference char conversion in CO2 gasification of coal (weight loss) changes linearly in the initial stage of the reaction, but the reactivity declines as the end point is approached. Char surface area is as large as 400 m{sup 2}/g in the initial stage with the conversion at 20%, but it decreases in the final stage. This phenomenon relates closely with changes in pore size and crystalline structure. Change in the Raman value R which shows incompleteness of char graphite structure and amorphous carbon ratio suggests that an active portion with high reactivity is oxidized preferentially, and a portion with low reactivity remains finally. Minerals in ...

Energy Technology Data Exchange (ETDEWEB)

During their catalytic cycle, proteins involved in biological signal transduction undergo unexpectedly large conformational changes, which are at the core of their biological functioning. Until now it has been extremely difficult to obtain experimental insight into the nature of these conformational changes. Mathematical modeling and time-resolved X-ray crystallography have resulted in probable routes along which these conformational changes may take place, but so far this fundamental biological phenomenon has hardly been tackled experimentally. Here, we report on an attempt to observe structural changes in Photoactive Yellow Protein with time-resolved small-angle neutron scattering using diffractometer D22 at the high-flux reactor of the Institut Laue-Langevin, Grenoble, France.

British Library Electronic Table of Contents (United Kingdom)

Lisy ME, Jarvis KB, DelBello MP, Mills NP, Weber WA, Fleck D, Strakowski SM, Adler CM. Progressive neurostructural changes in adolescent and adult patients with bipolar disorder.-Bipolar Disord 2011: 13: 396-405. 2011 The Authors.-Journal compilation 2011 John Wiley & Sons A/S. Objectives:- Several lines of evidence suggest that bipolar disorder is associated with progressive changes in gray matter volume (GMV), particularly in brain structures involved in emotional regulation and expression. The majority of these studies however, have been cross-sectional in nature. In this study we compared baseline and follow-up scans in groups of bipolar disorder and healthy subjects. We hypothesized bipolar disorder subjects would demonstrate significant GMV changes over time. Methods:- A total of 58 ...

International Nuclear Information System (INIS)

Normal fetal brain maturation can be studied by in vivo magnetic resonance imaging (MRI) from the 18th gestational week (GW) to term, and relies primarily on T2-weighted and diffusion-weighted (DW) sequences. These maturational changes must be interpreted with a knowledge of the histological background and the temporal course of the respective developmental steps. In addition, MR presentation of developing and transient structures must be considered. Signal changes associated with maturational processes can mainly be ascribed to the following changes in tissue composition and organization, which occur at the histological level: (1) a decrease in water content and increasing cell-density can be recognized as a shortening of T1- and T2-relaxation times, leading to increased T1-weighted and decreased T2-weighted intensity, respectively; (2) the arrangement of microanatomical structures ...

Science.gov (United States)

The bands may be classified as primary if they merge into the eyewall encircling the eye of the storm, or secondary if they are disconnected from the ...

KoreaScience (Korea)

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Lifetimes have been measured for a dipole band in {sup 139}Sm using DSAM. The deduced B(M1) and B(E2) values as well as B(M1)/B(E2) ratios are compared with calculations in the framework of the TAC (Tilted Axis Cranking) and SPAC (Shears mechanism with Principal Axis Cranking) models. The dipole band in {sup 139}Sm can be considered as a magnetic rotational band with a prolate or triaxial nuclear deformation. (orig.)

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International Nuclear Information System (INIS)

The electronic structure and properties of the cubic Laves phase (C15) compounds ZrZn_2 and ZrV_2 have been determined using our all-electron full-potential linearized-augmented-plane-wave (FLAPW) method for bulk solids. The computations were performed in two stages: (i) self-consistent warped muffin tin and (ii) self-consistent full potential. Spin-orbit coupling was included after either stage. The effects of the inclusion of the nonspherical terms inside the muffin tins on the eigenvalues is found to be small (of order 1 mRy). However, due to the fact that some of the bands near the Fermi level are flat, this effect leads to a much higher value of the density of states at E/sub F/ in ZnZr_2. The most important difference between the materials ZrZn_2 and ZrV_2 is the position of the d bands derived from the Zr and V atoms. Consequently, these materials have completely different Fermi surfaces. We have investigated the ...

Science.gov (United States)

Room-temperature continuous-wave (cw) operation is achieved in the MBE (molecular-beam epitaxy)-grown InGaP/InGaAlP double-heterostructure (DH) visible laser diodes with a threshold current of 110 mA. The lasing wavelength and threshold current density under pulsed operation are 666 nm and as low as 3.9 kA/cm/sup 2/, respectively. This result is achieved by the introduction of H/sub 2/ into the growth chamber during growth, the continuous growth from one layer to the next layer, and the introduction of a GaAs buffer layer. InGaP/InGaAlP quantum well structures are also grown. From photoluminescence measurements, the conduction-band discontinuity ..delta..E/sub c/ is estimated to be 0.43 of the band-gap difference ..delta..E/sub g/. Furthermore, the multiquantum-well (MQW) structure is found to be stable under thermal treatment at temperatures as high as 750 /sup 0/C. Room-temperature pulsed operation of ...

Energy Technology Data Exchange (ETDEWEB)

Utilities looking to thrive in increasingly competitive markets are reexamining their approach to pricing. To compete effectively, utilities will need to both control costs and offer customers pricing options that are competitive and reflect the diversity in their customer base. These price structures must reflect two key factors -- marginal costs, which will increasingly reflect market prices, and consumers` responsiveness to those price structures. To accomplish this requires the capability to forecast customers` response to price structures that often provide complex signals to customers about how changes in their energy consumption and maximum power demand affect their bill, and to calculate corresponding changes in utility profits and customer net benefits. Much discussion of competitive pricing focuses on innovative new rate structures. However, ...

International Nuclear Information System (INIS)

In this work, new LaSi3N5:Ce3+ phosphors have been synthesized by solid-state reaction. Rietveld refinement of the crystal structure of La1-xCexSi3N5 reveals that Ce atoms substituted for La atoms occupy 4a crystallographic positions. Broad emission and excitation bands observed were attributed to the transitions between the doublet ground state of the 4f1 configuration and the crystal field components of the 5d1 excited state. At 77 K, the centroid and crystal field splitting ?cfs of the 5d levels of Ce3+ in LaSi3N5:Ce3+ compounds were valuated at 33.4x103 and 11.3x103 cm-1, respectively. The zero-phonon line and the Stokes shift were measured to be 26.0x103 and 5.0x103 cm-1, respectively.

International Nuclear Information System (INIS)

Electrodeposition of semiconducting iron oxide (Fe_2O_3) thin film was carried out from an alkaline sulphate bath. A 0.1 M ferrous sulphate (FeSO_4#centre dot#7H_2O) was complexed with 0.1 M citric acid. By addition of 1 N NaOH, pH of the solution was made alkaline (pH=9) and deposition of iron oxide (Fe_2O_3) thin films was carried out potentiostatically at room temperature (300 K). From cyclic voltametry (CV), electrochemical studies were carried out for deposition of iron oxide thin films. The XRD studies reveal that Fe_2O_3 with epsilon (#epsilon#) phase having monoclinic crystal structure is formed. By observing scanning electron microscope (SEM), it is seen that iron oxide films were homogeneous, uniform and well covered to surface of the substrate. Grain size was found to be in nanometers range from XRD analysis. The optical band gap of Fe_2O_3 thin film was estimated to be 1.90 eV. Electrical resistivity was order of 10"4 #OMEGA# cm. ...

CERN Document Server

Context. We present a multi-wavelength, high-resolution observational survey of the young binary system Haro 6-10 (GV Tau, IRAS 04263+2426), which is harbouring one of the few known infrared companions. Aims. The primary goal of this project is to determine the physical and geometrical properties of the circumstellar and circumbinary material in the Haro 6-10 system. Methods. High-resolution optical (HST/WFPC2) and near-infrared (VLT/NACO) images in different bands were analysed to investigate the large-scale structures of the material around the binary.Mid-infrared interferometry (VLTI/MIDI) and spectroscopy (TIMMI2 at the 3.6m ESO telescope) were carried out to determine the structure and optical depth of the circumstellar material around the individual components. Results. The multi-wavelength observations suggest that both components of the binary system Haro 6-10 are embedded in a common envelope. The measured ...

International Nuclear Information System (INIS)

The crystal structure and phonon densities of states (DOS) of #beta#'-SiAlON ceramics, Si_6_-_zAl_zO"zN_8_-_z (0 #<=# z #<=# 4), prepared by a novel slipcast method, are studied by neutron-scattering techniques. The samples with z < 4 form a single-phase solid solution of Si-Al-O-N isostructural to #beta#-Si_3N_4 (space group P6_3/m). A consistent preferential occupation of the 2c sites by oxygen atoms and the 6h sites by nitrogen atoms exists within this structure. The phonon DOS of #beta#'-SiAlON displays phonon bands at #approx#50 and 115 meV. These features are considerably broader than the corresponding ones in #beta#-Si_3N_4 powder.

British Library Electronic Table of Contents (United Kingdom)

Polycrystalline ZnO doped with Mn (5 and 10at%) was prepared by the co-precipitation method. The effect of Mn doping on the photocatalytic, antibacterial activities and the influence of doping concentration on structural, optical properties of nanoparticles were studied. Structural and optical properties of the particles elucidated that the Mn2+ ions have substituted the Zn2+ ions without changing the Wurtzite structure of ZnO. The optical spectra showed a blue shift in the absorbance spectrum with increasing dopant concentration. The photocatalytic activities of ZnO powders were evaluated by measuring the degradation of methylene blue (MB) in water under the UV region. It was found that undoped ZnO bleaches MB much faster than manganese doped ZnO upon its exposure to the U...

British Library Electronic Table of Contents (United Kingdom)

Temperature variations due to climate changes are a major cause of movements in a concrete structure, both in the longitudinal and transversal directions and between different parts of the structure. If these movements are restrained, stresses will be induced which may contribute to cracking. The movements are caused by complex interactions of several factors such as solar radiation, air temperature, long-wave heat radiation and wind speed. To predict the varying thermal conditions in a concrete structure a finite element model has been used. A validation of the model has been performed using field measurements in a concrete slab together with climate data from the Swedish Meteorological and Hydrological Institute to be able to use the model for simulations over long time periods and for s...

International Nuclear Information System (INIS)

The present work is to study effects of neutron irradiation on the structure of amorphous Pb_8_0 Si_2_0 and Pd_7_7_._5 Cu_6 Si_1_6_._5 alloys by using X-ray diffraction techniques. differential scanning calorimertry (DSC) and internal friction measurements. The irradiation will produce obvious changes in the pair correlation function g(r) and radial distribution function RDF (r). The increase of crystallization temperature (Tx) and enthalpy of two specimens were found by DSC measurements after irradiation. The results of internal friction measurement show that the internal friction of the irradiated Pd_8_0Si_2_0 alloy is higher than that of the unirradiated in the temperature range of Tstructure changes before and after neutron irradiation are discussed in terms of the concepts of density fluctuation defects (p) and shear stress fluctuation defects (#iota#).

Energy Technology Data Exchange (ETDEWEB)

(12/11)CASSCF and (12/11)CASPT2 ab initio electronic structure calculations with both the cc-pVDZ and cc-pVTZ basis sets find that there is a barrier to the very exothermic hydrogen shift that converts singlet methylnitrene, CH{sub 3}N, to methyleneimine, H{sub 2}C{double{underscore}bond}NH. These two energy minima are connected by a transition structure of C{sub s} symmetry, which is computed to lie 3.8 kcal/mol above the reactant at the (12/11)CASPT2/cc-pVTZ//(12/11)CASSCF/cc-pVTZ level of theory. The (12/11)CASSCF/cc-pVTZ value for the lowest frequency vibration in the transition structure is 854 cm{sup {minus}1}, and CASPT2 calculations concur that this a{double{underscore}prime} vibration does indeed have a positive force constant. Thus, there is no evidence that this geometry is actually a mountain top, rather than a transition structure, on the global potential energy surface or that a C{sub 1} ...

International Nuclear Information System (INIS)

(Pb_1_-_x La_x) (Zr_0_._6_5 Ti_0_._3_5) ceramics, with x = 0.09 (PLZT 9/65/35) were prepared using lead monoxide (Pb O) with different amount of litharge (tetragonal) and massicot (orthorhombic) phases. Results, based on x-ray diffraction patterns, remanent polarization and dielectric measurements, show that the Pb O polymorphic phase does not change the final structure of the PLZT but causes changes on the remanent polarization and dielectric permittivity temperature dependence. (author). 11 refs, 2 figs, 2 tabs.

Energy Technology Data Exchange (ETDEWEB)

Density oscillations induced by MHD activities were observed in NBI heated plasmas on CHS by using an HCN laser interferometer. The accompanied changes of the density profiles were also observed. The oscillations are composition of m=0 sawteeth like crash and m=2 sinusoidal oscillations as a post courser of the crash. Possible models of the oscillation structure are examined in order to explain experimental data of the interferometer. Rotating plasma core, which is hollow profile and keeps constant elongation of the flux surface can explain amplitude and phase distribution of the sinusoidal oscillation. (author)

Energy Technology Data Exchange (ETDEWEB)

Successful interface engineering requires compositional and electronic material characterization as a prerequisite for understanding and intentionally generating interfaces in photovoltaic devices. The paper gives an overview with several examples, all referring to Cu(In,Ga)(S,Se){sub 2} ('CIGSSe')-based solar cells, with an emphasis on characterization using highly specialized methods, such as elastic recoil detection analysis, X-ray emission spectroscopy and photoelectron spectroscopy using synchrotron and ultraviolet light for excitation, inverse photoemission spectroscopy and Kelvin probe force microscopy. First, the determination of the depth profile of the band gap energy E{sub g} in the absorber layer is demonstrated. The modification of E{sub g} towards both interfaces is discussed in terms of beneficial electronic effects. Next, the interface between absorber and buffer layers with alternative and promising non-toxic materials is ...

International Nuclear Information System (INIS)

The probabilistic risk assessment (PRA) of the General Electric BWR/6 Mark III standard plant has been used to assess the effect of proposed new quality assurance requirements on the off-site plant risk. This work was performed by General Electric Company under contract to the Electric Power Research Institute. First, the potential changes in the reliability of structures, systems and components were estimated. Then those changes that could affect the event tree and fault tree results were identified. Finally these changes were propagated through the probabilistic risk assessment fault trees and event trees to determine the effect upon off-site plant risk. The results show that applying quality assurance requirements, very nearly equal to those of 10CFR50, Appendix B (3), to nearly all nonsafety-related structures, systems, and components would have a negligible effect on off-site ...