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The ab initio pseudopotential method is used to study transient-enhanced-diffusion (TED) related processes. The electronic degrees of freedom are included explicitly, together with the fully self-consistent treatment of the electron charge density. A large supercell and a fine k-point mesh are used to ensure numerical convergence. Such method has been demonstrated to give quantitative description of defect energetic. We will show that boron diffusion is significantly enhanced in the presence of the Si interstitial due to the substantial lowering of the migrational barrier through a kick-out mechanism. The resulting mobile boron can also be trapped by another substitutional boron, forming an immobile and elect rically inactive two-boron pair. Similarly, carbon diffusion is also enhanced significantly due to the pairing with Si interstitial. However, carbon binds to Si interstitial much more strongly than boron does, taking ...

Czech Academy of Sciences Repository

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Energy Technology Data Exchange (ETDEWEB)

We present results from a kinetic Monte Carlo simulation of boron transient enhanced diffusion (TED) in silicon. Our approach avoids the use of phenomenological fits to experimental data by using a complete and self-consistent set of values for defect and dopant energetics derived mostly from {ital ab initio} calculations. The results predict that, during annealing of 40 keV B-implanted Si at 800{degree}C, there exists a time window during which all the implanted boron atoms are substitutional. At earlier or later times, the interactions between free silicon self-interstitials and boron atoms drive the growth of boron clusters and result in an inactive boron fraction. The results show that the majority of boron TED takes place during the growth period of interstitial clusters and not during their dissolution. {copyright} {ital 1998 American Institute of Physics.}

International Nuclear Information System (INIS)

The electronic structures of the set of molecular clusters of dielectric oxide crystals AWO4 (A = Pb, Cd, Zn), the sizes of which increase sequentially are ab-initio calculated by the Restricted Hartree-Fock (RHF) method. The results of calculations of molecular orbitals and energy dependences of partial densities of electronic states of different clusters are compared each to other and to experimental data. It is found that calculated electronic structures of the tungstate groups and cations which are surrounded in cluster by certain number of the nearest neighbor atoms of the crystals quite well represent the experimentally obtained value of the forbidden gap of corresponding AWO4 crystal. (authors)

Energy Technology Data Exchange (ETDEWEB)

In ab initio molecular dynamics, whenever information about the potential energy surface is needed for integrating the equations of motion, it is computed 'on the fly' using electronic structure calculations. For Born-Oppenheimer methods, the electronic structure calculations are converged, whereas in the extended Lagrangian approach the electronic structure is propagated along with the nuclei. Some recent advances for both approaches are discussed.

Energy Technology Data Exchange (ETDEWEB)

We have developed a kinetic Monte Carlo (kMC) simulator that links atomic migration and binding energies determined primarily from first principles calculations to macroscopic phenomena and laboratory time scales. Input for the kMC simulation is obtained from a combination of ab initio planewave pseudopotential calculations, molecular dynamics simulations, and experimental data. The simulator is validated against an extensive series of experimental studies of the diffusion of B spikes in self-implanted Si. The implant energy, dose, and dose rate, as well as the detailed thermal history of the sample, are included. Good agreement is obtained with the experimental data for temperatures between 750 and 950 C and times from 15 to 255 s. At 1050o C we predict too little diffusion after 105 s compared to experiment: apparently, some mechanism which is not adequately represented by our model becomes important at this temperature. Below 1050o C, the ...

Energy Technology Data Exchange (ETDEWEB)

This conference was held December 4--8, 1994 in Asilomar, California. The purpose of this meeting was to provide a forum for exchange of state-of-the-art information concerning the prediction of protein structure. Attention if focused on the following: comparative modeling; sequence to fold assignment; and ab initio folding.

UK PubMed Central (United Kingdom)

Electronic and structural properties of antiphase boundaries in group III-V semiconductor compounds have been receiving increased attention due to the potential to integration of optically-active III-V...Full Text Available

International Nuclear Information System (INIS)

Ab initio total-energy calculations, based on the exact muffin-tin orbital method, are used to determine the elastic properties of Pd1-xAgx random alloys in the face-centered-cubic crystallographic phase. The compositional disorder is treated within the coherent-potential approximation. The single crystal and polycrystalline elastic constants and the Debye temperature are calculated for the whole range of concentration, 0?x?1. It is shown that the variation in the elastic parameters of Pd-Ag alloys with chemical composition strongly deviates from a simple linear or parabolic trend. The complex electronic origin of these anomalies is demonstrated.

CERN Document Server

This thesis is divided up into five chapters as outlined below. Chapter 1 gives the background to the techniques used in this thesis including X-ray structure determination and ab initio methods. An overview of some recent studies using ab initio methods to study transition metal complexes is also given. Chapter 2 investigates structural trans influence in a number of transition metal and p-block complexes. The database and ab initio studies showed that the classical trans influence model based on Pt(II) chemistry does not always hold. For some systems (eg. d sup 1 sup 0 s sup 0 for Sb sup V and Sn sup I sup V) the cis influence is of similar magnitude to the trans influence. For other systems (d sup 0), the trans influence is not as powerful as usually assumed. Chapter 3 is an investigation into the bridging chloride unit. A database study was performed on ...

Energy Technology Data Exchange (ETDEWEB)

The structure of ammonium azide (NH{sub 4})N{sub 3} was (re-)determined ab initio from x-ray powder diffraction experiment using synchrotron radiation. We tried to detail and comment the different steps involved in the structure determination. The compound crystallize in the orthorhombic Pmna space group (no.53) with a = 8.937(1) A, b= 3.8070(5) A, c = 8.664(1) A, V = 294.79(7) A{sup 3}; Z= 4. It was possible to locate and refine the hydrogen coordinates, in two different approaches, and to establish the H-bonds. The final structural parameters are in good agreement with previous results based on three-dimensional neutron diffraction. (Author)

British Library Electronic Table of Contents (United Kingdom)

We carried out theoretical analyses based on ab initio calculations that incorporate free energy of the vapor phase in order to determine the initial growth process of cubic GaN on GaN (001)-(4x1). The results suggest that a N-adsorbed structure appears at the initial growth stage and then Ga adsorbs on the N-adsorbed GaN (001)-(4x1) surface. Considering this process, we performed Monte Carlo simulations. The results suggest that the maximum point of Ga coverage after supplying a Formula Not Shown monolayer of atoms shifted toward a Ga-rich condition from V/III=1.0.

CERN Document Server

This work presents accurate ab initio determination of the hyperfine splitting for the ground state and few low-lying excited states of 113Cd+; important candidates for the frequency standard in the microwave region, using coupled-cluster theory (CC) in the relativistic framework. The calculated hyperfine splitting are well in agreement with recent experimental results. We have also carried out the lifetimes of the 5p2P1=2 and 5p2P3=2 states, which are in well agreement with recent experimental result (Moehring et al., PRA 73 023413, 2006). The roles of different electron correlation effects in the determination of these quantities are discussed and their contributions are presented in the CC terms.

Energy Technology Data Exchange (ETDEWEB)

The reactions of the hydroxyl radical with hydrocarbons and fluoro hydrocarbons attract significant attention due to their importance in atmospheric chemistry. Its reactions with the two first hydrocarbons, methane and ethane are of special interest because, owing to the small size of these systems, they serve as a prototype for the theoretical studies of hydrogen abstraction reactions. In this work, the reaction and activation energies of the hydroxyl radical abstraction reaction with methane and ethane have been investigated by correlated ab initio and DFT methods. The DFT reaction energies are in good agreement with experimental values, but the activation energies may be in severe error. (authors) 22 refs.

Energy Technology Data Exchange (ETDEWEB)

This book examines some of the basic principles behind chemical reactions kinetics. Topics considered include ab initio determination of potential energy for chemical reactions; semi-empirical potential energy surfaces; general theory of reactive scattering: different equation approach; and integral equation approach to reactive scattering.

Energy Technology Data Exchange (ETDEWEB)

We have measured the oxygen positions in LaNiO{sub 3} films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.

International Nuclear Information System (INIS)

Using ab initio (SCF/6-31G) method, mechanisms of proton migrations in methaboric acid dimers have studied. It is shown that in all the dimers considered a cooperative transfer of protons occurs. The calculated values of activation barriers of cooperative proton transfer reactions in the dimers are equal to 28.6 kcal/mol.

International Nuclear Information System (INIS)

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

CERN Document Server

Over the last decade {\\it ab initio} modeling of material properties has become widespread in diverse fields of research. It has proved to be a powerful tool for predicting various properties of matter under extreme conditions. We apply modern computational chemistry and materials science methods, including density functional theory (DFT), to solve lingering problems in the modeling of the dense atmospheres of cool white dwarfs ($T_{\\rm eff}\\rm <7000 \\, K$). Our work on the revision and improvements of the absorption mechanisms in the hydrogen and helium dominated atmospheres resulted in a new set of atmosphere models. By inclusion of the Ly-$\\rm \\alpha$ red wing opacity we successfully fitted the entire spectral energy distributions of known cool DA stars. In the subsequent work we fitted the majority of the coolest stars with hydrogen-rich models. This finding challenges our understanding of the spectral evolution of cool white ...

CERN Document Server

The nature of the first generation of stars in the Universe remains largely unknown. Observations imply the existence of massive primordial stars early in the history of the universe, and the standard theory for the growth of cosmic structure predicts that structures grow hierarchically through gravitational instability. We have developed an ab initio computer simulation of the formation of primordial stars that follows the relevant atomic and molecular processes in a primordial gas in an expanding universe. The results show that primeval density fluctuations left over from the Big Bang can drive the formation of a tiny protostar with a mass of just one percent that of the sun. The protostar is a seed for the subsequent formation of a massive primordial star.

Energy Technology Data Exchange (ETDEWEB)

We present ab-initio calculations of the electronic structure of small Fe clusters (1-9 atoms) on Ni(001), Ni(111), Cu(001) and Cu(111) surfaces. Our focus is on the spin moments and their dependence on cluster size and shape. We derive a simple quantitative rule that relates the moment of each Fe atom linearly to its coordination number. Thus, for an arbitrary Fe cluster the spin moment of the cluster and of the individual Fe atoms can be readily found if the positions of the atoms are known. (orig.)

British Library Electronic Table of Contents (United Kingdom)

By means of ab-initio electronic structure calculation and one-dimensional Boltzmann transport equation solution, we investigate the size dependent thermoelectric (TE) properties of n-type ZnO nanowires (NWs) and surface passivation effects. As demonstrated by our calculations, largest figure of merit ZT achievable in thin NWs is larger than that in wide NWs, whereas being restrained by higher demand of n-type doping. Moreover, bare NWs are superior in TE application comparing with the passivated. To compete with conventional TE materials, lattice thermal conductivity of ZnO NWs should be at least 2 orders of magnitude lower than bulk value.

Energy Technology Data Exchange (ETDEWEB)

A first-principles quasiparticle approach to the electronic excitation energies in crystals and at surfaces is described. The quasiparticle energies are calculated within the GW approximation for comparison with photoemission and other spectroscopic experiments. Applications of the method to bulk semiconductors and the Si(111)2[times]l, Ge(111)2[times]l. and H/Si(III) surfaces are presented. In both cases, significant self-energy corrections arising from many-electron effects to the excitation energies are found. Using atomic positions from total energy minimization, the calculated excitation energies explain quantitatively the experimental spectra. This approach thus provides an ab initio means for analyzing and predicting results from spectroscopic probes.

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

In order to obtain the electronic structure of leucine (Leu) in aqueous solution, we studied three systems: Leu+7H2O, Leu+8H2O and Leu+9H2O. The results indicated that the system Leu+8H2O was the only choice which was both acceptable and doable: its computational effort was affordable, and it could simulate a main part of the solvent effect on the electronic structure of Leu in solution. Based on the system Leu+8H2O, all-electron, ab initio calculations were performed to construct an equivalent potential of water for the electronic structure of Leu with dipoles. The results showed that the main effect of water on the electronic structure of Leu was raising the occupied states about 0.0824 Ry on average, and broadening the energy gap by 11%. The water effect on the electronic structure of L...

International Nuclear Information System (INIS)

Full text: Hybrid functionals, containing a fraction of the exact exchange, allow for a rather accurate treatment of e.g. small molecules and band gaps in bulk materials. A plane-wave based algorithm was implemented in VASP (Vienna Ab-initio Simulation Package) to accomplish the calculation of the exact exchange. Two functionals including exact exchange are presently available, i.e. the PBE0 (Perdew-BurKEX-Ernzerhof) and the HSE (Heyd-Scuseria-Ernzerhof). A rigorous assessment of the implementation was performed by geometry optimization and calculation of the atomization energies of the G2-1 quantum chemical test set, containing 55 molecules. Excellent agreement compared to corresponding Gaussian 03 data and good agreement with experiment was achieved. The mean absolute error (theory related to experiment) for the atomization energies calculated with the PBE and the PBE0 is 8.6 and 3.7 kcal/mol, respectively. To investigate the properties of bulk materials, the ...

International Nuclear Information System (INIS)

Ab initio calculations of the electronic structure were performed for the silver palladium oxide, Ag_2PdO_2, by the full potential mixed linearized augmented plane wave and augmented plane wave plus local orbitals method (mixed LAPW/APW+lo) within the density functional theory and using the generalized gradient approximation (GGA96, Phys. Rev. Lett. 77 (1996) 3865) for the exchange-correlation potential. The lattice parameters were calculated from the ground-state total energy versus volume curve, and are in good agreement with the available experimental results. Our calculations of band structure predicted that the compound Ag_2PdO_2 has indirect band gap, and the Pd 4d states strongly hybridize with the O 2p states all over the valence bands and conduction bands. The valence bands are composed mainly of Ag, Pd 4d states and O 2p states, while the conduction bands consist mainly of the Pd 4d states and O 2p states. In addition, focusing on the ...

Energy Technology Data Exchange (ETDEWEB)

We report the results of ab initio calculations of cross sections and molecular-frame photoelectron angular distributions for C 1s ionization of CO2, and propose a mechanism for the recently observed asymmetry of those angular distributions with respect to the CO^+and O^+ions produced by subsequent Auger decay. The fixed-nuclei, photoionization amplitudes were constructed using variationally obtained electron-molecular ion scattering wave functions. We have also carried out electronic structure calculations which identify a dissociative state of the CO2^++ dication that is likely populated following Auger decay and which leads to O^+ + CO^+ fragment ions. We show that a proper accounting of vibrational motion in the computation of the photoelectron angular distributions, along with reasonable assumptions about the nuclear dissociation dynamics, gives results in good agreement with recent experimental observations. We also demonstrate that ...

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 and is strongly composition dependent. The electron densities of states for the ...

International Nuclear Information System (INIS)

We investigate some aspects of the radiation damage mechanisms in biomolecules, focusing on the modelling of resonant fragmentation caused by the attachment of low-energy electrons (LEEs) initially ejected by biological tissues when exposed to ionizing radiation. Scattering equations are formulated within a symmetry-adapted, single-center expansion of both continuum and bound electrons, and the interaction forces are obtained from a combination of ab initio calculations and a nonempirical model of exchange and correlation effects developed in our group. We present total elastic scattering cross-sections and resonance features obtained for the equilibrium geometries of glycine, alanine, proline and valine. Our results at those geometries of the target molecules are briefly shown to qualitatively explain some of the fragmentation patterns obtained in experiments. We further carry out a one-dimensional (1D) modeling for the dynamics of ...

DEFF Research Database (Denmark)

It is well established from experiments in premixed, laminar flames, jet-stirred reactors, flow reactors, and batch reactors that SO2 acts to catalyze hydrogen atom removal at stoichiometric and reducing conditions. However, the commonly accepted mechanism for radical removal, SO2 + H(+M) reversible arrow HOSO(+M), HOSO + H/OH reversible arrow SO2 + H-2/H2O, has been challenged by recent theoretical and experimental results. Based on ab initio calculations for key reactions, we update the kinetic model for this chemistry and re-examine the mechanism of fuel/SO2 interactions. We find that the interaction of SO, with the radical pool is more complex than previously assumed, involving HOSO and SO, as well as, at high temperatures also HSO, SH, and S. The revised mechanism with a high rate constant for H + SO2 recombination and with SO + H2O, rather than SO2 + H-2, as major products of the HOSO + H reaction is in agreement with a range of ...

Energy Technology Data Exchange (ETDEWEB)

The IR double-resonance techniques IR/R2PI (infrared/resonant 2-photon ionization), IR/PIRI (infrared-photo-induced Rydberg ionization) and IR-photodissociation spectroscopy are valuable tools to investigate structure, vibrations, and dynamical processes of neutral and ionic hydrogen-bonded clusters containing aromatic molecules. In this paper we report on the application of the IR double-resonance techniques to determine the NH and OH stretching vibrations of 4-aminophenol and 4-aminophenol(H{sub 2}O){sub 1}, both in the neutral (S{sub 0}) and ionic (D{sub 0}) ground state. All vibrational frequencies obtained for 4-aminophenol and the cluster are compared with the values obtained from ab initio and DFT calculations. In the S{sub 0} state, a trans-linear arrangement of 4-aminophenol(H{sub 2}O){sub 1} is obtained containing an O-H. O hydrogen bond. In the D{sub 0} state an overlay of two spectra can be observed resulting from the trans-linear ...

International Nuclear Information System (INIS)

The atomic structures of calcium sialons Ca_xSi_1_2_-_mAl_mN_1_6 (m = 0.5, 1, 2, 4) with the #alpha#- or #beta#-Si_3N_4-type structure were calculated, using the ab initio DFT approach, including relaxations of both lattice parameters and positions of the atoms. For all m values the #alpha#-Si_3N_4-type structure has a lower energy than the #beta#-type. For m = 1, 2 and 4 the #alpha#-type structure is also stable against decomposition into the metal nitrides, in agreement with experimental data. For m = 0.5 stability becomes uncertain. Al ions prefer positions close to Ca. Rather strong structural relaxations occur around the Ca ion.

Energy Technology Data Exchange (ETDEWEB)

We demonstrate tuning of Schottky energy barriers in organic electronic devices by utilizing chemically tailored electrodes. The Schottky energy barrier of Ag on poly[2-methoxy], 5-(2{prime}-ethyl-hexyloxy)- 1,4-phenylene was tuned over a range of more than 1 eV by using self-assembled monolayers (SAM{close_quote}s) to attach oriented dipole layers to the Ag prior to device fabrication. Kelvin probe measurements were used to determine the effect of the SAM{close_quote}s on the Ag surface potential. {ital Ab} {ital initio} Hartree-Fock calculations of the molecular dipole moments successfully describe the surface potential changes. The chemically tailored electrodes were then incorporated in organic diode structures and changes in the metal/organic Schottky energy barriers were measured using an electroabsorption technique. These results demonstrate the use of self-assembled monolayers to control metal/organic interfacial electronic properties. ...

CERN Document Server

We show that accretion disks, both in the subcritical and supercritical accretion rate regime, may exhibit significant amplitude luminosity oscillations. The luminosity time behavior has been obtained by performing a set of time-dependent 2D SPH simulations of accretion disks with different values of alpha and accretion rate. In this study, to avoid any influence of the initial disk configuration, we produced the disks injecting matter from an outer edge far from the central object. The period of oscillations is 2 - 50 s respectively for the two cases, and the variation amplitude of the disc luminosity is 10^38 - 10^39 erg/s. An explanation of this luminosity behavior is proposed in terms of limit cycle instability: the disk oscillates between a radiation pressure dominated configuration (with a high luminosity value) and a gas pressure dominated one (with a low luminosity value). The origin of this instability is the difference between the heat produced by viscosity and the energy ...

CERN Document Server

Without using any moduli, sheaves, stacks, nor any analytic, nor category-type arguments, we exhibit an analogue to Geometric Langlands Theory in an entirely model-independent, non-perturbative,purely smooth topological context in Artin Presentation Theory. A basic initial feature is that AP Theory, as a whole, is already, ab initio, a universal canonical 2D sigma-model, targeting smooth, compact, simply-connected 4-manifolds with a connected boundary, and its topological Planckian quantum starting point, as well as its cone-like, infinitely-generated at each stage, graded group of homology-preserving, but topology-changing transitions/interactions, exhibit the most general qualitative S-duality. We first point out the numerous mathematically rigorous, model-free, (i.e., intrinsic), topological AP analogues with the heuristic Kapustin-Witten version of Geometric Langlands theory, as well as the crucial differences between the two theories. The ...

Energy Technology Data Exchange (ETDEWEB)

We present high-quality X-ray scattering experiments on pure water taken over a temperature range of 2 to 77 C using a synchrotron beam line at the advanced light source (ALS) at Lawrence Berkeley National Laboratory. The ALS X-ray scattering intensities are qualitatively different in trend of maximum intensity over this temperature range compared to older X-ray experiments. While the common procedure is to report both the intensity curve and radial distribution function(s), the proper extraction of the real-space pair correlation functions from the experimental scattering is very difficult due to uncertainty introduced in the experimental corrections, the proper weighting of OO, OH, and HH contributions, and numerical problems of Fourier transforming truncated data in Q-space. Instead, we consider the direct calculation of X-ray scattering spectra using electron densities derived from density functional theory based on real-space configurations generated with classical water models. ...

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 parameter u, S-S bond length, and the indirect band gap of pyrite FeS_2 are ...

Energy Technology Data Exchange (ETDEWEB)

From the crystal field analysis of optical absorption spectra on monoclinic S.G. P2{sub 1}/c MgNd(BO{sub 2}){sub 5}, where Nd{sup 3+} occupies a single crystallographic position with no symmetry elements, energy level schemes and an expression of the associated wavefunctions for the 4f{sup 3} configuration of Nd{sup 3+} have been derived, considering approximate C{sub 2v} and C{sub s} (C{sub 2}) symmetries. Despite of the low symmetry of Nd{sup 3+}, resulting rms deviations between calculated and experimental levels are very satisfactory. The composition of the crystal field wavefunctions from both sets of phenomenological free-ion and crystal field parameters has been checked through a calculation of the thermal evolution of the paramagnetic susceptibility {chi}, according to the Van Vleck formula. The same simulation was performed with crystal field parameters (CFPs) resulting from the ab initio simple overlap model (SOM), considering the ...

Energy Technology Data Exchange (ETDEWEB)

The reactions of CF{sub 3}O radicals with (1) NO and (2) NO{sub 2} were studied using two different experimental techniques. A laser photolysis/LIF detection method was applied for measuring the rate constants as a function of temperature (T=222-302 K) and total pressure (p{sub tot}=7-107 mbar). Whereas the reaction with (1) NO was found to be independent of temperature and pressure with k{sub 1}=(4.5{+-}1.2) x 10{sup -11} cm{sup 3}s{sup -1}, the reaction with (2) NO{sub 2} was found to be dependent on both of these variables. The temperature dependence of k{sub 2} in the high pressure limit can be given by the expression k{sub 2{infinity}}{sup -}(T)=(8{+-}5) x 10{sup -13} exp ((863{+-}194) K/T) cm{sup 3}s{sup -1}. The product distributions of the two reactions were determined in separate experiments using steady-state photolysis combined with FTIR spectroscopy. For reaction (1) only CF{sub 2}O was found as a reaction product with a yield of 0.93{+-}0.10, independent of temperature. ...

International Nuclear Information System (INIS)

We use the Generalized Quasi-Chemical Approach (GQCA) combined with ab initio ultrasoft pseudopotential calculations within density functional theory in order to obtain the structural and electronic properties of Al_xGa_yIn_1_-_x_-_yX (X=As, P or N) quaternary alloys in the zincblende structure. Results for the bond lengths show that their variations with composition are approximately linear and that they do not deviate much from the values of the corresponding binary compounds. For the variation of the band gaps, we obtain a bowing parameter b=0.26 eV for the (Ga_0_._4_7In_0_._5_3As)_z(Al_0_._4_8In_0_._5_2As)_1_-_z quaternary alloy lattice matched to InP, in very good agreement with experimental data. In the case of AlGaInN, a bowing parameter of 0.22 eV is obtained for zincblende AlGaInN lattice matched to GaN. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Energy Technology Data Exchange (ETDEWEB)

The total and state-specific electron-ion recombination rate coefficients are obtained for FeI. The calculations are carried out using a new ab initio method that incorporates both the radiative and the dielectronic recombination processes in an unified and self-consistent manner. The computations employ the close coupling approximation and the R-matrix method from atomic collision theory. A 52 state close coupling eigenfunction expansion dominated by the states of the ground 3d{sup 6}4s and excited 3d{sup 7}, 3d{sup 6}4p, 3d{sup 5}4s{sup 2}, and 3d{sup 5}4s4p configurations of FeII are used in the present calculations. The important electron correlation and radiation damping effects are included via explicit coupling of autoionization and radiative channels. This is the first detailed atomic calculation for the recombination rates for FeI. The present rates are considerably higher than the radiative recombination rates being used currently in ...

Energy Technology Data Exchange (ETDEWEB)

Density functional theory (DFT) calculations using plane-wave methods were performed for Li2TMPO4F, LiTMPO4F, and TMPO4F (TM=V, Mn, Fe, Co, Ni) to address their feasibility as high-voltage cathode materials for Li ion batteries. We computed their structures, average open circuit voltages, and thermal stabilities for step-wise lithiation/delithation (discharge/charge) reactions. The calculations suggest that associated unit cell volume changes are sufficiently small on average that they should not be a significant detriment to the mechanical stability of the cathode. In the nickel case, the calculated volume change deviates from the series by increasing during the first delithiation step. Furthermore, the volume increases for all these materials during the second delithiation step. It appears that the relative volume expansion in the series during delithiation is directly correlated to the degree of d-p rehybridization. Predicted average open circuit voltages indicate that these ...

UK PubMed Central (United Kingdom)

Abs facilitate humoral immunity via the classical mechanisms of opsonization, complement activation, Ab-dependent cellular cytotoxicity, and toxin/viral neutralization. There is also evidence that some...Full Text Available

KoreaScience (Korea)

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International Nuclear Information System (INIS)

Complete text of publication follows. We have published on the spectroscopic study on the formation of a 1:1 molecular complex of fluoranthene (F) with benzene (B) in cyclohexane and estimated the equilibrium constant K(F-B) (0.147 dm3 mol-1 at 298 K), enthalpy change DH(F-B) (-5.9 kJ mol-1) and entropy change DS(F-B) (-36 JK-1mol-1 at 298 K) for this complex formation (S. Enomoto et al., Bull. Chem. Soc. Jpn., 75 (2002) 689-693). In this study, the electronic absorption spectra have been observed for the fluoranthene derivatives in cyclohexane-benzene and/or cyclohexane-ethanol mixed solvents to investigate the weak intermolecular interactions between fluoranthene derivatives and benzene or ethanol. The electronic absorption spectra of 3-aminofluoranthene (AF) in the mixed solvent mentioned above showed isosbestic points with varying B and ethanol (E) concentrations. These observations indicate that AF forms a 1:1 molecular complex with B or E, the K(AF-B) and K(AF-E) values for these ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Tripartite efflux systems are responsible for the export of toxins across both the inner and outer membranes of Gram negative bacteria. Previous work has indicated that EmrAB-TolC from Escherichia coli is such a tripartite system, comprised of EmrB an MFS transporter, EmrA, a membrane fusion protein and TolC, an outer membrane channel. The whole complex is predicted to form a continuous channel allowing direct export from the cytoplasm to the exterior of the cell. Little is known, however, about the interactions between the individual components of this system. Reconstitution of EmrA + EmrB resulted in co-elution of the two proteins from a gel filtration column indicating formation of the EmrAB complex. Electron microscopic single particle analysis of the reconstituted EmrAB complex revealed the presence of particles approximately 240 x 140 A, likely to correspond to two EmrAB dimers in a back-to-back ...

International Nuclear Information System (INIS)

Kinetic Monte Carlo simulations are used to analyze the ripening and dissolution of small Si interstitial clusters and #left brace#113#right brace# defects, and its influence on transient enhanced diffusion of dopants in silicon. The evolution of Si interstitial defects is studied in terms of the probabilities of emitted Si interstitials being recaptured by other defects or in turn being annihilated at the surface. These two probabilities are related to the average distance among defects and their distance to the surface, respectively. During the initial stages of the defect ripening, when the defect concentration is high enough and the distance among them is small, Si interstitials are mostly exchanged among defects with a minimal loss of them to the surface. Only when defects grow to large sizes and their concentration ...

International Nuclear Information System (INIS)

English 2004 [2 p.] Brazil Soares, SF Dire, Glaucio Abreu, Paulo Jesus,

UK PubMed Central (United Kingdom)

Congenital deformities involving the coverings of the nervous system are called neural tube defects (NTDs). NTD can be classified as neurulation defects, which occur by stage 12, and postneurulation...Full Text Available

UK PubMed Central (United Kingdom)

Familial defective apolipoprotein (apo) B-100 is a genetic disease that leads to hypercholesterolemia and to an increased serum concentration of low density lipoproteins that bind defectively to the...Full Text Available

UK PubMed Central (United Kingdom)

The multidrug efflux transporter AcrAB-TolC is known to pump out a diverse range of antibiotics, including β-lactams. However, the kinetic constants of the efflux process, needed for the quantitative...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

In order to achieve efficient d-lactic acid fermentation from a mixture of xylose and glucose, the xylose-assimilating xylAB operon from Lactobacillus pentosus (PXylAB) was introduced into an l-lactate dehydrogenase gene (ldhL1)-deficient Lactobacillus plantarum (?ldhL1-xpk1::tkt-?xpk2) strain in which the phosphoketolase 1 gene (xpk1) was replaced with the transketolase gene (tkt) from Lactococcus lactis, and the phosphoketolase 2 (xpk2) gene was deleted. Two copies of xylAB introduced into the genome significantly improved the xylose fermentation ability, raising it to the same level as that of ?ldhL1-xpk1::tkt-?xpk2 harboring a xylAB operon-expressing plasmid. Using the two-copy xylAB integrated strain, successful homo-d-lactic acid production was achieved from a mixture of 25?g/l xylos...

Science.gov (United States)

It is suggested that the large reduction of the superconducting transition temperature Tc due to defects observed experimentally in some A-15 compounds is caused by smearing of a high peak in the density of states at the Fermi level. The influence of defects on other physical properties (the magnetic susceptibility ?, the elastic modulus Cs, the structural transformation temperature Tm and the electrical resistivity ?) is also discussed from the same point of view. We expect the anomalous temperature dependence of ?, Cs and ? will be suppressed by defects.

CERN Document Server

We prove the existence of defective secant varieties of three-factor and four-factor Segre-Veronese varieties embedded in certain multi-degree. These defective secant varieties were previously unknown and are of importance in the classification of defective secant varieties of Segre-Veronese varieties with three or more factors.

Energy Technology Data Exchange (ETDEWEB)

In scattering of channeled particles by point defects and in emission of gamma rays in the spontaneous-radiation spectral region conditions are attained where the momentum transferred to the defect is taken up by the crystal as a whole. This leads to coherent and interference effects in the radiation from the crystal defects. When the longitudinal momentum transferred is zero, an induced radiation effect appears in the transitions between the states of transverse motion.

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

British Library Electronic Table of Contents (United Kingdom)

Interactions between cationic dye-cationic surfactant and anionic dye-cationic surfactant systems were investigated in aqueous solutions using spectrophotometric method at 288.15, 298.15, 308.15 and 318.15K. C.I. Basic Red 9 (BR9) and C.I. Acid Blue 25 (AB25) were used as cationic and anionic dyes, respectively, and hexadecyltrimethylammonium bromide (HDTMABr) was selected as cationic surfactant in this study. Although there was an interaction between the AB25 and the HDTMABr molecules, an interaction between the BR9 and HDTMABr did not occur due to the electrostatic repulsion forces. Binding constants and partition coefficients between the micellar and the bulk water phases for the AB25-HDTMABr system were calculated from the changes in absorbance values and the critical micelle concentra...

CERN Document Server

We complete the effective potential calculation of the two-loop, top/bottom Yukawa corrections to the Higgs boson masses in the Minimal Supersymmetric Standard Model, by computing the O(at^2 + at*ab + ab^2) contributions for arbitrary values of the bottom Yukawa coupling. We also compute the corrections to the minimization conditions of the effective potential at the same perturbative order. Our results extend the existing O(at^2) calculation, and are relevant in regions of the parameter space corresponding to tan(beta) >> 1. We extend to the Yukawa corrections a convenient renormalization scheme, previously proposed for the O(ab*as) corrections, that avoids unphysically large threshold effects associated with the bottom mass and absorbs the bulk of the corrections into the one-loop expression. For large values of tan(beta), the new contributions can account for a variation of several GeV in the lightest Higgs boson ...

British Library Electronic Table of Contents (United Kingdom)

The main objective of this work was to investigate the biosorption performance of unmodified and Cetylpyridinium chloride (CPC)-modified biomass of Penicillium YW 01 for Acid Blue 25 (AB 25). Maximum biosorption capacity of AB 25 onto CPC-modified biosorbent was 118.48mgg^-^1 under phosphoric-phosphate buffer with initial dye concentration of 200mgL^-^1 at 30^oC. The biosorption pattern of AB 25 onto unmodified biosorbent in aqueous solution and phosphoric-phosphate buffer was well fitted with both Langmuir and Freundlich isotherm models. While the equilibrium data of CPC-modified biosorbent in aqueous solution and phosphoric-phosphate buffer failed to fit the Freundlich isotherm model, indicating the monolayer biosorption formed onto CPC-modified biosorbent. The values of initial biosorpt...

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.

Science.gov (United States)

... QVUX`TcYWjRSZ[YXTeof\\OWXabgn]egig[Z^S]^`PhlWOe_W\\V_DKFFNZSMVT_NT[QXOMX\\\\TY] aSRd[^roan`rdt[\\] pedel\\_ YWdrR`ehUodbi`_abXUbi_O[\\i[ZSfZHX^Zkhc_T^jav ...

British Library Electronic Table of Contents (United Kingdom)

The levels of General Transcription Factor (TF) IIA were examined during mammalian brain development and in rat embryo fibroblasts and transformed cell lines. The large TFIIA subunit paralogues ab and t are largely produced in unsynchronized cell lines, yet only TFIIA ab is observed in a number of differentiated tissue extracts. Steady-state protein levels of the TFIIA t, ab, and g subunits were significantly reduced when human embryonal (ec) and hepatic carcinoma cell lines were stimulated to differentiate with either all-trans-retinoic acid (ATRA) or sodium butyrate. ATRA-treated NT2-ec cells required replating to induce a neuronal phenotype and loss of detectable TFIIA t and g proteins. High levels of TFIIA t, ab, and g and Sp factors were identified in extracts from human fetal and rat...

UK PubMed Central (United Kingdom)

Background/Objective:Three patients with spinal cord injury (SCI) and 3 able-bodied (AB) patients were infused with naloxone during a study to examine their neuroendocrine...Full Text Available

UK PubMed Central (United Kingdom)

The agglutination of human platelets by ristocetin and von Willebrand factor was inhibited by aggregated immunoglobulin (Ig)G and by Fc fragments of IgG, but not by Fab, F(ab′)₂ or...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The device is designed for automatic testing of the degree of discharge of tractive storage batteries (AB) for electric loaders, electric cars and electric ore locomotives. The basic electrical schematic of the device is cited.

Energy Technology Data Exchange (ETDEWEB)

Amorphization and a dual implant technique have been used to manipulate residual defects that persist following implantation and post-implant thermal treatments. Residual defects can often be attributed to ion-induced defect excesses. A defect is considered to be excess when it occurs in a localized region at a concentration greater than its complement. Sources of excess defects include spatially separated Frenkel pairs, excess interstitials resulting from the implanted atoms, and sputtering. Preamorphizing prior to dopant implantation has been proposed to eliminate dopant broadening due to ion channeling as well as dopant diffusion during subsequent annealing. However, transient-enhanced diffusion (TED) of implanted boron has been observed in pre-amorphized Si. The defects driving this enhanced boron diffusion are thought to be the extended interstitial-type ...

Energy Technology Data Exchange (ETDEWEB)

A {lambda}gt11 cDNA library was constructed from poly(U)-Spharose-selected Entamoeba histolytica trophozoite RNA in order to clone and identify surface antigens. The library was screened with rabbit polyclonal anti-E. histolytica serum. A 700-base-pair cDNA insert was isolated and the nucleotide sequence was determined. The deduced amino acid sequence of the cDNA revealed a cysteine-rich protein. DNA hybridizations showed that the gene was specific to E. histolytica since the cDNA probe reacted with DNA from four axenic strains of E. histolytica but did not react with DNA from Entamoeba invadens, Acanthamoeba castellanii, or Trichomonas vaginalis. The insert was subcloned into the expression vector pGEX-1 and the protein was expressed as a fusion with the C terminus of glutathione S-transferase. Purified fusion protein was used to generate 22 monoclonal antibodies (mAbs) and a mouse polyclonal antiserum specific for the E. histolytica portion of the fusion protein. ...

UK PubMed Central (United Kingdom)

This study was designed to evaluate the suitability of a novel bioabsorbable material in treating bone defects. A poly(desaminotyrosyl-tyrosine-ethyl ester carbonate) (PDTE carbonate) membrane (thickness...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The federating theme of superconductivity has given rise to a number of experimental studies of point defects in solids as different as transition metals (V, Nb, ...), A-15 compounds (V{sub 3}Si, Nb{sub 3}Ge, ...), or perovskite-like copper oxides. Some of these experiments are presented here. (orig.).

Energy Technology Data Exchange (ETDEWEB)

We present an atomistic simulation of the Ostwald ripening of extrinsic defects (clusters, {l_brace}1 1 3{r_brace}s and dislocation loops) which occurs during annealing of ion implanted silicon. The model describes the capture and emission of Si interstitial atoms to and from extrinsic defects of sizes up to thousands of atoms and includes a loss term due to the flux of interstitials to the recombining surface. Key input parameters of the simulation are the variations of the formation energy and of the capture efficiency with the size of the different defects. This model shows that the kinetics of the well-known dissolution of {l_brace}1 1 3{r_brace} defects is only driven by the recombination efficiency at the surface and the distance from the defects to the sample surface. We have subsequently used this model to study defect evolution in low and ultra low ...

International Nuclear Information System (INIS)

Most superconductors are quite sensitive to irradiation defects. Critical temperatures may be depressed, critical currents may be increased, by irradiation, but other behaviours may be encountered. In compounds, the sublattice in which defects are created is of significant importance. 24 refs.

International Nuclear Information System (INIS)

This talk sketches out the main parameters (technology, circuit design) that have an influence on the hardening of digital CMOS integrated circuits. For each technology the more common defects are mentioned. General design rules are proposed to prevent or limit those defects. (D.L.). 2 refs., 2 figs.

Science.gov (United States)

This report documents the collaborative effort between the United States and Canada to investigate the impact of process-induced defects on strength and stiffness under static and fatigue loading and for low-cost composite aircraft structures, in particul...

International Nuclear Information System (INIS)

A quantitative transmission electron microscopy (TEM) study on the depth profile of extended defects, formed after Si implantation, has been carried out. Two different Si"+ implant conditions have been considered. TEM analysis for the highest energy/dose shows that #left brace#1 1 3#right brace# defects evolve into dislocation loops whilst the defect depth distribution remains unchanged as a function of annealing time. For the lowest energy/dose, #left brace#1 1 3#right brace# defects grow and dissolve while the defect band shrinks preferentially on the surface side. At the same time, extraction of boron transient enhanced diffusion (TED) as a function of depth shows a decrease of the supersaturation towards the surface, starting at the location of the defect band. The study clearly shows that in these systems the silicon surface is the principal sink for ...

UK PubMed Central (United Kingdom)

Different tombusviruses were able to support the replication of either homologous or heterologous defective interfering (DI) RNAs, and those infected plants usually developed typical attenuated symptoms....Full Text Available

International Nuclear Information System (INIS)

It is suggested that the large reduction of the superconducting transition temperature T sub(c) due to defects observed experimentally in some A-15 compounds is caused by smearing of a high peak in the density of states at the Fermi level. The influence of defects on other physical properties (the magnetic susceptibility chi, the elastic modulus C sub(s), the structural transformation temperature T sub(m) and the electrical resistivity rho) is also discussed from the same point of view. We expect the anomalous temperature dependence of chi C sub(s) and rho will be suppressed by defects. (auth.).

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of the clusters (V/sub 3/Si/sub 4/)/sup 12 -/, (Nb/sub 3/Sn/sub 4/)/sup 12 -/(Mo/sub 3/Ge/sub 4/)/sup 15 -/ in crystalline V/sub 3/Si, Nb/sub 3/Sn, Mo/sub 3/Ge compounds is calculated by the Extended Hueckel method. The influence of different types of radiation induced defects on the density of states at the Fermi level (the anti-site defects, the displacement of atoms in linear chains, the vacancy-interstitial type defects) is considered.

International Nuclear Information System (INIS)

This paper describes detection of electro-discharged machine (EDM) defects in magnetic steam generator (SG) tubes of Monju fast breeder reactor (FBR). The EDM defects are located under support plate (SP), on the outer tube surface and they are detected by a remote field eddy current probe. Using the experimental measurements and a multi frequency algorithm, the defect signal can be extracted from the SP signal. The parameters of the multi-frequency algorithm were calculated by comparing SP measurements with two-dimensional finite element simulations (FEM). (author)

DEFF Research Database (Denmark)

Udgivelsesdato: 2007-Feb

International Nuclear Information System (INIS)

This paper describes various eddy current probes, and their performance, which were developed at the Chalk River Laboratories of Atomic Energy of Canada. Included are probes for detecting defects at tubesheet regions in heat exchanger tubes, defects at expansion-transition regions in finned tubes, and defects in ferromagnetic tubes. All of these probes can be used with conventional commercially available instruments. (author).

Energy Technology Data Exchange (ETDEWEB)

We demonstrate a two-dimensional device simulator for MOSFET structures that incorporates models for defect distributions and show predicted effects on device switching performance for various spatial distributions of defects in amorphous and polycrystalline silicon.

International Nuclear Information System (INIS)

It is shown that low-frequency elastic vibrations of near-surface planar defects cause high-frequency ultrasonic radiation in surrounding air. The frequency conversion mechanism is concerned with contact nonlinearity of the defect vibrations and provides efficient generation of air-coupled higher-order ultraharmonics, ultrasubharmonics, and combination frequencies. The nonlinear air-coupled ultrasonic emission is applied for location and high-resolution imaging of damage-induced defects in a variety of solid materials.

Science.gov (United States)

Results from scanning electron microscopy, Fourier transform infrared spectroscopy and the measurement of thermally stimulated current show that a high density of the physical defects and the chemical defects are introduced into the surface of the silicone rubber plates after they are treated by corona discharge plasma. These defects behave electrically as shallow electron traps, leading to the formation of a uniform discharge in air at higher pressure when the corona-modified silicone rubber is used in dielectric barrier discharge.

International Nuclear Information System (INIS)

The defect-induced electron lifetime and energy-gap anisotropy effects on the T/sub c/ of the A-15 compounds are examined. A self-consistent model calculation demonstrates that the various defect dependences of T/sub c/ can be qualitatively understood in terms of the electron-lifetime effect.

DEFF Research Database (Denmark)

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

Energy Technology Data Exchange (ETDEWEB)

We compare the effect of isotropic point defects vis a vis extended defects on the inter and intra grain properties of superconducting MgB{sub 2} thin films. In a recent paper Gandikota et al. [Appl. Phys. Lett. 86 (2005) 012508] reported that after 200 MeV {alpha} particle irradiation intergrain connectivity remains unaffected. Our results on the contrary indicate that connectivity does depend on irradiation dose and type of ions used. We ascertain that extended defects alter the {sigma} band properties of this two-band superconductor more effectively than the point defects. The improvement in upper critical field and critical current density is intricately related to the type and density of defects created.

International Nuclear Information System (INIS)

Ion implantation is used at several critical stages of Si integrated circuit manufacturing. The authors show how #left brace#311#right brace# defects arising after implantation are responsible for both enhanced dopant diffusion during annealing, and stable dislocations post-anneal. They observe #left brace#311#right brace# defects in the earliest stages of an anneal. They subsequently undergo rapid Ostwald ripening and evaporation. At low implant doses evaporation dominates, and they can quantitatively relate the interstitials emitted from these defects to the transient enhancement in diffusivity of dopants such as B and P. At higher doses Ostwald ripening is significant, and they observe the defects to undergo a series of unfaulting reactions to form both Frank loops and perfect dislocations. They demonstrate the ability to control both diffusion and dislocations by the addition of small amounts of ...

International Nuclear Information System (INIS)

In this paper, we study the effect of the Ge"+ preamorphization dose on boron diffusion and on the thermal evolution of end of range (EOR) defects during annealing. Amorphizations were carried out by implanting Ge"+ at 150 keV to doses ranging from 1x10"1"5 to 8x10"1"5 ions/cm"2. Boron was subsequently implanted at 3 keV with a dose of 1x10"1"4 ions/cm"2. Rapid thermal annealing (RTA) was performed for various time/temperature combinations in nitrogen ambient. Secondary ion mass spectroscopy (SIMS) and transmission electron microscopy (TEM) were used to study boron diffusion and defect evolution, respectively. We have found that after a given annealing, both the defect size and boron diffusivity are independent on the Ge ion dose. Increasing this dose only results in an increase of the defect density. These results are discussed and definitely show that EOR defects are involved in a ...

Energy Technology Data Exchange (ETDEWEB)

A detailed investigation of the damage formation and evolution in ion-implanted crystalline Si is presented. Deep-level transient spectroscopy has been used to monitor room temperature migration of point defect complexes and evolution from simple point-like defect complexes to defect clusters and even extended defects. Si samples were implanted with Si or He ions with energies of 145 keV-3MeV, to fluences in the range 5x10[sup 8]-5x10[sup 13]cm[sup -2]. The effects of thermal annealing, in the range 100-680 C and 10 min-15h, were also explored. A systematic comparison of defect complexes formation and evolution in ion-implanted or electron-irradiated Si samples with a different impurity content were used to assess the role of impurities (C and O), extra implanted ion and defect clustering on the nature and thermal stability of residual damage. In particular, an ...

International Nuclear Information System (INIS)

Three new rare earth metal-rich compounds, Gd_6MTe_2 (M=Co, Ni) and Er_6RuTe_2, were synthesized in direct reactions between the R, R_3M, and R_2Te_3 (R=Gd, Er, M=Co, Ni, Ru). These materials all adopt the same Zr_6CoAl_2 structure type with space group P6-bar 2m (No. 189, Z=1). Single crystal structures of Gd_6CoTe_2 and Er_6RuTe_2 were determined and lattice parameters are a=b=8.3799(5), c=3.9801(4) A, and a=b=8.1473(5) A, c=3.9962(4) A, respectively. Gd_6NiTe_2 was characterized by X-ray powder diffraction; lattice parameters are a=b=8.412(2), c=3.9577(9) A. Metal-metal bonding correlations were analyzed using the empirical Pauling bond order concept.

International Nuclear Information System (INIS)

In this study, SnO2 thin films have been grown using spray pyrolysis technique on glass substrates under a substrate temperature (Ts = 440 oC). The precursors were methanol CH4O and anhydrous tin tetrachloride. XRD analyses yielded strong (1 1 0)-(1 0 1)-(2 0 0) X-ray diffraction peaks which are characteristics to tetragonal crystals. Atomic Force Microscopy (AFM) analyses showed the existence of clusters with particular pyramidal shapes. The main part of this study concerns the optical measurements of transmittance T(?) and reflectance R(?) spectra inside 250-1800 nm domain. Conjoint optical and thermal properties were deduced using the Amlouk-Boubaker Opto-Thermal Expansivity ?AB. The obtained value: ?AB ? 23.4 m3 s-1 helped situating the performance of the as-grown SnO2 compound among most known PV-T oxides like ZnO and TiO2.

British Library Electronic Table of Contents (United Kingdom)

Amyloid precursor protein (APP), a key protein in pathogenesis of Alzheimer's disease (AD), is a type I transmembrane protein which can be cleaved by b- and g-secretase to release the amyloidogenic b-amyloid peptides (Ab) and the APP intracellular domain (AICD). While Ab has been widely believed to initiate pathogenic cascades culminating AD, the physiological functions and regulations of AICD remain elusive. In present study, endogenous AICD was demonstrated to be increased by canonical Wnt signal. Instead of due to g-secretase activity, enhanced AICD expression was found due to the increased protein stability by Wnt/b-catenin. b-Catenin was demonstrated to be an associating partner of AICD, capable of promoting AICD mediated transcriptional activity. Investigation by AICD mutants proved ...

British Library Electronic Table of Contents (United Kingdom)

Alzheimer's disease (AD) is a neurodegenerative disorder for which the research of new treatments is highly challenging. Since the fibrillogenesis of amyloid-b peptide 1-42 (Ab1-42) peptide is considered as a major cause of neuronal degeneration, specific interest has been focused on aromatic molecules for targeting this peptide. In this paper, the synthesis of selegiline-functionalized and fluorescent poly(alkyl cyanoacrylate) nanoparticles (NPs) and their evaluation for the targeting of the Ab1-42 peptide are reported. The synthetic strategy relied on the design of amphiphilic copolymers by tandem Knoevenagel-Michael addition of cyanoacetate derivatives, followed by their self-assembly in aqueous solutions to give the corresponding NPs. Different cyanoacetates were used: (i) hexadecyl cy...

British Library Electronic Table of Contents (United Kingdom)

Using the peptide hormone glucagon and Ab(1-40) as model systems, we have sought to elucidate the mechanisms by which fibrils grow and multiply. We here present real-time observations of growing fibrils at a single-fibril level. Growing from preformed seeds, glucagon fibrils were able to generate new fibril ends by continuously branching into new fibrils. To our knowledge, this is the first time amyloid fibril branching has been observed in real-time. Glucagon fibrils formed by branching always grew in the forward direction of the parent fibril with a preferred angle of 35-40degree. Furthermore, branching never occurred at the tip of the parent fibril. In contrast, in a previous study by some of us, Ab(1-40) fibrils grew exclusively by elongation of preformed seeds. Fibrillation kinetics i...

Energy Technology Data Exchange (ETDEWEB)

A set of equations describing a stress-mediated evolution of the nonequilibrium dopant-defect system has been derived and analyzed. Together with coupled diffusion of dopant atoms and point defects, we consider the drift of all mobile species in different charge states, namely vacancies, self-interstitials, and pairs 'dopant atom-point defect', in the field of stress. It has been shown that stresses may affect the diffusion of dopant atoms mainly in two ways: (1) directly, due to the drift of the pairs in the field of stress; (2) indirectly, by the formation of nonuniform defect distribution due to the drift of point defects. On this basis, various features of doping processes, such as phenomena of 'uphill' impurity diffusion near the surface (within the framework of the first or second mechanisms) and the peculiarities of high concentration ...

Energy Technology Data Exchange (ETDEWEB)

(001) CZ silicon wafers were implanted with arsenic (As{sup +}) at energies of 10--50 keV to doses of 2 {times} 10{sup 14} to 5 {times} 10{sup 15}/cm{sup 2}. All implants were amorphizing in nature. The samples were annealed at 700 C for 16 hrs. The resultant defect microstructures were analyzed by XTEM and PTEM and the As profiles were analyzed by SIMS. The As profiles showed significantly enhanced diffusion in all of the annealed specimens. The diffusion enhancement was both energy and dose dependent. The lowest dose implant/annealed samples did not show As clustering which translated to a lack of defects at the projected range. At higher doses, however, projected range defects were clearly observed, presumably due to interstitials generated during As clustering. The extent of enhancement in diffusion and its relation to the defect microstructure is explained by a combination of factors including ...

Energy Technology Data Exchange (ETDEWEB)

Accurate modeling of the enhanced diffusion of boron during rapid thermal annealing has been accomplished by incorporating the effects of extended defect formation and annealing on enhanced diffusion into a multizone, semiempirical model. The multizone model divides the implant profile into three zones defining regions of different defects and diffusion enhancements. The model also contains the initial enhanced diffusion and the transient diffusion effects associated with the dissolution of defect clusters and the annealing of extended defects, respectively. The saturation time for transient-enhanced diffusion contains an exponential function of implant dose in order to model the increase in point defect generated with higher implant dose. As a result, the model accurately simulates the boron diffusion profile over a wide range of implant doses and also shows the immobile boron peak ...

International Nuclear Information System (INIS)

At the importance increase of UT (ultrasonic testing) with the application of rules on fitness-for-service for nuclear power plants, JAPEIC (Japan power engineering and inspection corporation) started education training for defect detection and sizing technique. Weld joints specimen with EDM (Electro-Discharged Machining) notches, fatigue cracks and intergranular stress corrosion cracks were tested and practiced repeatedly based on a modified ultrasonic method and the defect size measuring accuracy of the trainees was surely improved. Results of the blind test confirmed effectiveness of education training. (T. Tanaka)

CERN Document Server

In situ optical absorption spectroscopy was used to study the generation of E' centres in amorphous SiO_2 occurring by photo-induced breaking of Si-H groups under 4.7eV pulsed laser radiation. The dependence from laser intensity of the defect generation rate is consistent with a two-photon mechanism for Si-H rupture, while the growth and the saturation of the defects are conditioned by their concurrent annealing due to reaction with mobile hydrogen arising from the same precursor. A rate equation is proposed to model the kinetics of the defects and tested on experimental data.

Energy Technology Data Exchange (ETDEWEB)

Transient Enhanced Diffusion (TED) is one of the biggest modeling challenges present in predicting scaled technologies. Damage from implantation of dopant ions changes the diffusivities of the dopants and precipitates to form complex extended defects. Developing a quantitative model for the extended defect behavior during short time, low temperature anneals is a key to explaining TED. This paper reviews some of the modeling developments over the last several years, and discusses some of the challenges that remain to be addressed. Two examples of models compared to experimental work are presented and discussed.

Environmental Research Database

ObjectivesObjectives Not AvailableDescriptionTo determine the effects of water penetration on the burst strength of filament wound composite pipes which have been damaged by impact and then subjected to long term pressurisation with sea water. ~%~ To monitor and characterise the damage and effects of sea water penetration using ultrasonic NDT. To determine the burst strength of bonded composite pipe joints with and without defects and to see whether the defects can be detected using ultrasonic NDT. [continued...

Energy Technology Data Exchange (ETDEWEB)

This study presents results from Monte Carlo radiation transport calculations aimed at characterizing a novel methodology being developed to detect partial defects in Pressurized Water Reactor (PWR) spent fuel assemblies (SFAs). The methodology uses a combination of measured neutron and gamma fields inside a spent fuel assembly in an in-situ condition where no movement of the fuel assembly is required. Previous studies performed on single isolated assemblies resulted in a unique base signature that would change when some of the fuel in the assembly is replaced with dummy fuel. These studies indicate that this signature is still valid in the in-situ condition enhancing the prospect of building a practical tool, Partial Defect Detector (PDET), which can be used in the field for partial defect detection.

International Nuclear Information System (INIS)

Defect cluster formation in 14-MeV neutron irradiated polycrystalline copper has been observed by transmission electron microscopy (TEM) and correlated with the increase in yield stress. The measurements indicate that the radiation hardening component of the yield strength in polycrystals is not directly additive to the unirradiated yield strength. A transitional behavior was observed for radiation hardening at low fluences, which produces an anomalous variation of the defect cluster barrier strength with fluence. The behavior is attributed to the effect of grain boundaries on slip band transmission. An upper limit for the room temperature barrier strength of defect clusters in neutron-irradiated copper was determined to be #alpha#=0.23. (orig.).

British Library Electronic Table of Contents (United Kingdom)

This paper introduces the application of independent component analysis mixture modelling (ICAMM) in non-destructive testing (NDT). The application consists of discriminating patterns for material quality control from homogeneous and defective materials inspected by impact-echo testing. This problem is modelled as a mixture of independent component analysis (ICA) models, representing a class of defective or homogeneous material by an ICA model whose parameters are learned from the impact-echo signal spectrum. These parameters define a kind of particular signature for the different defects. The proposed procedure is intended to exploit to the maximum the information obtained with the cost efficiency of only a single impact. To illustrate this capability, four levels of classification detail...

UK PubMed Central (United Kingdom)

The tetrapeptide KDEL is commonly found at the C terminus of soluble proteins of the endoplasmic reticulum (ER), and it contributes to their localization by interacting with a receptor that recycles...Full Text Available

Science.gov (United States)

Giant magnetoresistance (GMR) has been used with Eddy current testing to detect small defects not only in thin film structures but also in multilayered metallic structures. This work detected small scratches in the thin film under the surface where these defects were unable to be inspected or monitored by regular testing. In addition, rotational GMR magnetic sensor based Eddy current probes were used for detecting buried corner cracks at the edge of holes in metallic structures. The results of this study proved that giant magnetoresistance is very powerful and effective to sense the magnetic field, which is the result from the perturbation of the Eddy currents caused by a defect. This method can be used for quality control of metallization layers on silicon wafer and to detect cracks in thick structures such as cracks in aging aircraft.

UK PubMed Central (United Kingdom)

Mutation of the gene drop-dead (drd) causes adult Drosophila to die within 2 weeks of eclosion and is associated with reduced rates of defecation...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

To study the defect creation induced by electronic processes in refractory oxides, MgO single crystals were irradiated with high energy tin, uranium and lead ions. Optical absorption measurements showed that F-type centers (oxygen vacancies with trapped electrons) were created during irradiation. The total number of centers per unit area of bombarded sample increases linearly with irradiating fluence. The main part of the point defects was found to arise from electronic processes. The concentration of F-type centers induced by ionization increases with the electronic energy losses. Assuming a saturation of point defect concentration at high fluences, F-type center creation cross sections could be estimated. The influence of irradiation temperature and of the velocity of the bombarding ions are discussed.

Science.gov (United States)

... company. To automate this initial cutup requires a computer vision system that can locate and identify surface defects ... ...

Energy Technology Data Exchange (ETDEWEB)

The magnetic susceptibility of GaAs samples containing a large concentration of native defects was investigated by dc magnetization measurements. Thin GaAs films grown by molecular-beam epitaxy at very low temperatures and bulk GaAs:S samples irradiated with fast neutrons have been studied. For all samples, the susceptibility follows a Curie-Weiss law, indicating the presence of localized magnetic moments. These moments are attributed to unpaired spins located at the native defects. Negative Curie-Weiss temperatures found for both neutron-irradiated and low-temperature-grown GaAs is a clear manifestation of an antiferromagnetic interaction between the moments. The presence of a highly inhomogeneous distribution of native defects has to be assumed to account for the observed antiferromagnetic ordering.

Science.gov (United States)

The zinc-blende (ZB) and wurtzite (W) structures are the most common crystal forms of binary octet semiconductors. In this work we have developed a simple scaling that systematizes the {ital T}=0 energy difference {Delta}{ital E}{sub W{minus}ZB} between W and ZB for all simple binary semiconductors. We have first calculated the energy difference {Delta}{ital E}{sub W{minus}ZB}{sup LDF}({ital AB}) for AlN, GaN, InN, AlP, AlAs, GaP, GaAs, ZnS, ZnSe, ZnTe, CdS, C, and Si using a numerically precise implementation of the first-principles local-density formalism (LDF), including structural relaxations. We then find a {ital linear} scaling between {Delta}{ital E}{sub W{minus}ZB}{sup LDF}({ital AB}) and an atomistic orbital-radii coordinate {ital {tilde R}}({ital A},{ital B}) that depends only on the properties of the free atoms {ital A} and {ital B} making up the binary compound {ital AB}. Unlike classical structural coordinates ...

Energy Technology Data Exchange (ETDEWEB)

The subject of this volume is remote sensing for environmental monitoring and resource management. This session is divided in eight parts. First part is on general topics, methodology and meteorology. Second part is on geology, environment and land cover. Third part is on disaster monitoring. Fourth part is on operational status of remote sensing. Fifth part is on coastal zones and inland waters. Sixth and seventh parts are on forestry and agriculture. Eighth part is on instrumentation and systems. (A.B.). refs., figs., tabs.

Energy Technology Data Exchange (ETDEWEB)

We show that the relation between D-branes and noncommutative tachyons leads very naturally to the relation between D-branes and K-theory. We also discuss some relations between D-branes and K-homology, provide a noncommutative generalization of the ABS construction, and give a simple physical interpretation of Bott periodicity. In addition, a framework for constructing Neveu--Schwarz fivebranes as noncommutative solitons is proposed.

International Nuclear Information System (INIS)

Papers presented at a meeting on indoor and outdoor climates on sites polluted with volatile organic chemicals. The papers deal with the subject of evaporation of organic chemicals on the polluted sites in relation to the influence on indoor and outdoor climates. Themes dealt with are diffusion through soils and transport of pollutants from the soil into buildings. (AB).

UK PubMed Central (United Kingdom)

In this study we show the effect of anti-sulfatide (RmAb) antibodies and inflammatory cytokines, TNF-α and IFN-γ in inducing myelin basic protein (MBP) degradation in myelin...Full Text Available

UK PubMed Central (United Kingdom)

Vibrio cholerae 638 (El Tor, Ogawa), a new CTXΦ-negative hemagglutinin/protease-defective strain that is a cholera vaccine candidate, was examined for safety and immunogenicity...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Described herein is an optical probe (120) for use in characterizing surface defects in wafers, such as semiconductor wafers. The optical probe (120) detects laser light reflected from the surface (124) of the wafer (106) within various ranges of angles. Characteristics of defects in the surface (124) of the wafer (106) are determined based on the amount of reflected laser light detected in each of the ranges of angles. Additionally, a wafer characterization system (100) is described that includes the described optical probe (120).

International Nuclear Information System (INIS)

Transient Enhanced Diffusion (TED) of boron in silicon is driven by the large supersaturations of self-interstitial silicon atoms left after implantation which also often lead to the nucleation and subsequent growth, upon annealing, of extended defects. In this paper we review selected experimental results and concepts concerning boron diffusion and/or defect behavior which have recently emerged with the ion implantation community and briefly indicate how they are, or will be, currently used to improve 'predictive simulations' softwares aimed at predicting TED. In a first part, we focus our attention on TED and on the formation of defects in the case of 'direct' implantation of boron in silicon. In a second part, we review our current knowledge of the defects and of the diffusion behavior of boron when annealing preamorphised Si. In a last part, we try to compare these two cases and to find out what are ...

International Nuclear Information System (INIS)

The exafs method is proposed as a more informative, universal one to investigate the radiation defects in solids. The successful results as obtained by the author using the synchrotron radiation source are reported for the first time. The measurements were carried out in GaAsP crystals irradiated with 50 MeV electrons.

CERN Document Server

We derive the expression for spontaneous emission rate in finite one-dimensional photonic crystal with arbitrary defects using the effective resonator model to describe electromagnetic field distributions in the structure. We obtain explicit formulas for contributions of different types of modes, i.e. radiation, substrate and guided modes. Formal calculations are illustrated with a few numerical examples, which demonstrate that the application of effective resonator model simplifies interpretation of results.

UK PubMed Central (United Kingdom)

The bioenergetic capacity of skeletal muscle in a 17-year-old patient with a severe defect in complex III of the electron transport chain has been examined by 31P NMR measurements of the molar ratio...Full Text Available

International Nuclear Information System (INIS)

A unified physically based ion implantation damage model has been developed which successfully predicts both the impurity profiles and the damage profiles for a wide range of implant conditions for arsenic, phosphorus, BF_2, and boron implants into single-crystal silicon. In addition, the amorphous layer thicknesses predicted by this new damage model are also in excellent agreement with experimental measurements. This damage model is based on the physics of point defects in silicon, and explicitly simulates the defect production, diffusion, and their interactions which include interstitial-vacancy recombination, clustering of same type of defects, defect-impurity complex formation, emission of mobile defects from clusters, and surface effects for the first time. New computationally efficient algorithms have been developed to overcome the barrier of the excessive computational ...

Energy Technology Data Exchange (ETDEWEB)

Described herein are the results of the FY1994 research program for structural defects of silicon-based amorphous materials for solar cells. The study on light generation defects of the a-Si:H system and rejuvenation process by annealing establishes the effects of light irradiation time on changed neutral dangling bond density as a result of light irradiation at varying temperature of 77K, room temperature and 393K. The study on annealing to rejuvenate light generation defects of various types of a-Si-H systems establishes the activation energy distribution with respect to annealing to remove light-induced defects, showing that hydrogen affects the distribution of light-induced defects. The study on decaying process of light-induced ESR for undoped and N-doped a-Si:H systems observes the decaying process of light-induced ESR, after light is cut off, extending for a period of several ...

International Nuclear Information System (INIS)

In the present paper we estimate the effect of sodium in the in-service inspection of non-magnetic steam generators tubes using eddy current technique and eddy current probes based on a differential double bobbin coil configuration. Experimental measurements of defects signals in steam generator tubes of fast breeder reactor are compared with simulations results of a two-dimensional axisymmetric finite element code to validate a reliable electromagnetic model of the system (eddy current coils, steam generator tube, defect) when there is no sodium on the outer steam generator tube surface. The electromagnetic code is used to evaluate the sodium band and sodium layer signals when a defect is located under steam generator support plate. Using a multi-frequency algorithm, its parameters are determined in the 'no sodium condition' (there is no sodium on the outer steam generator tube surface), defects signal ...

British Library Electronic Table of Contents (United Kingdom)

Ventricular septal defects can occur as part of other congenital cardiac malformations or as an isolated finding. Aneurysms of the sinus of Valsalva are rare, most commonly involving the right or noncoronary sinuses. They can be congenital or acquired through infection, trauma, or degenerative diseases. They frequently co-exist with ventricular septal defects, aortic valve dysfunction, or other cardiac abnormalities. More commonly, sinus of Valsalva aneurysms are diagnosed after the clinical sequelae of rupture. Several etiologic factors may lead to the development of pathologic pericardial effusion and the detection of pericardial effusion was one of the first applications of echocardiography to gain widespread acceptance. We present a case of a chance finding of an aneurysm of the right ...

British Library Electronic Table of Contents (United Kingdom)

We have developed a chitosan/polyglycolic acid (PGA) artificial nerve graft which was previously used for bridge implantation of dog sciatic nerves across 30-mm long defects. Here we describe a clinical trial of this graft for repairing a 35-mm-long median nerve defect at elbow of a human patient. During the 3-year follow-up period, functional recovery of the injured median nerve was assessed by pinch gauge test, hydraulic hand dynamometry, static two-point discrimination and touch test with monofilaments, in couple with electrophysiological examinations. The motor and sensory function of the median nerve demonstrated an ongoing recovery postimplantation, reaching M4 and S3+ levels during the follow-up period. The results indicate that the chitosan/PGA artificial nerve graft could be used ...

International Nuclear Information System (INIS)

With steam generator check testing, the numerous types of defect not only have to be detected reliably but also to be identified correctly and classified according to depth. A priori, no signals are provided by the physical eddy-current mechanism, i.e. the disturbance of an excited eddy-current field by a defect, which will allow unambiguous identification and classification of the defects. The task, therefore, consists in designing the eddy-current method in terms of measurement technology in such a way as to obtain useful detection, identification and classification by a translation of the signals as simple and as save as possible. Internal through-flow wils and internal rotating probes were examined for their suitability to fulfill this three-pronged task with steam generator inspection. (orig./RW).

International Nuclear Information System (INIS)

It has been demonstrated that, by incorporating a thin #approx#20 nm Si_1_-_yC_y (with y as low as 0.1%) layer at the deep indium implant end-of-range (EOR) region, the EOR defects and enhanced diffusion behavior associated with indium implant can be eliminated. The Si_1_-_yC_y layer was grown epitaxially followed by a silicon epitaxy cap of 60 nm. Indium implantations were performed at 1x10"1"4 cm"-"2 at 115 keV followed by spike annealing at 1050 deg. C. The experimentally observed EOR defect and enhanced diffusion elimination are explained based on the undersaturation of implantation-induced silicon interstitials with the presence of substitutional carbon at the Si_1_-_yC_y layer.

Energy Technology Data Exchange (ETDEWEB)

The authors have studied (Al{sub x}Ga{sub 1{minus}x}){sub 0.5}In{sub 0.5}P doped with tellurium using deep level transient spectroscopy and associated electrical measurements. Several defect states are observed in the upper half of the band gap, that are believed to be intrinsic to the alloy system as well as related to the tellurium donors. Defects observed at measurement temperatures above 390 K exhibit a hysteretic behavior. The observed spectra depend on the biasing conditions applied to the Schottky diode during cooling. The hysteretic behavior suggests the existence of different defect configurations, which can be accessed under conditions of high temperatures and electrical stress, but remain stable below 300 K.

Energy Technology Data Exchange (ETDEWEB)

Large single crystals of PETN, RDX, and TNT can be grown easily from evaporating ethyl acetate solutions. The crystals all share a similar type of defect that may not be commonly recognized. The defect generates conical faces ideally mosaic crystals, and may account for the polymorphs'' of TNT and detonator grades of PETN. TATB crystals manufactured by the amination of trichlorotrinitrobenzene in dry toluene entrain two forms of ammonium chloride. One of these forms causes worm holes'' in the TATB crystals that may be the reason for its unusually low failure diameters. Strained HMX crystals form mechanical twins that can spontaneously revert back to the untwinned form when the straining force is removed. Large strains or temperatures above 100[degrees]C lock in the mechanical twins.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Computer experiments imitating specimen strain on tension with constant deformation rate have been carried out. A formation possibility of atmosphere from defects around gliding dislocations (I) and a work of Frank-Read sources (II) have been accounted for. In result deformation curves until stresses do not exceed a critical shear stress were calculated. Influence of effects (I) and (II) was analyzed. It is determined that both by pass of dislocations over defect ''atmospheres'' and dislocation multiplication can cause a peak in flow stress occurrence on the deformation curves. Reasons and conditions of such peak occurrence have been studied. 12 refs.; 9 figs. (author).

CERN Document Server

Two-dimensional simulations of the coarsening process of the isotropic/smectic-A phase transition are presented using a high-order Landau-de Gennes type free energy model. Defect annihilation laws for smectic disclinations, elementary dislocations, and total dislocation content are determined. The computed evolution of the orientational correlation length and disclination density is found to be in agreement with previous experimental observations showing that disclination interactions dominate the coarsening process. The mechanism of smectic disclination movement, limited by the absorption and emission of elementary dislocations, is found to be facilitated by curvature walls connecting interacting disclinations. At intermediate times in the coarsening process, split-core dislocation formation and interactions displaying an effective disclination quadrupole configuration are observed. This work provides the framework for further understanding of the formation and ...

British Library Electronic Table of Contents (United Kingdom)

Sinus lifting and reconstruction of localized alveolar defects are often required after closure of a large oroantral fistula (OAF) to allow for subsequent implant installation. This study describes a combined surgical technique that involves sinus lifting, bony closure, and reconstruction of the alveolar defect at the site of an OAF. The sinus membrane was reconstructed as a continuous layer by combining the residual sinus membrane with a rotated part of oral mucosa around the OAF. Autogenous bone from the chin and/or ramus was grafted into the prepared sinus space and alveolar defect, and the graft was covered by a buccal advancement flap. This technique was used to treat 8 patients who had large OAFs in the posterior maxillary region. The treatment was successful in all cases, and the te...

CERN Document Server

The disk around AB Aur was imaged and resolved at 24.6\\,$\\mu$m using the Cooled Mid-Infrared Camera and Spectrometer on the 8.2m Subaru Telescope. The gaussian full-width at half-maximum of the source size is estimated to be 90 $\\pm$ 6 AU, indicating that the disk extends further out at 24.6\\,$\\mu$m than at shorter wavelengths. In order to interpret the extended 24.6\\,$\\mu$m image, we consider a disk with a reduced surface density within a boundary radius $R_c$, which is motivated by radio observations that suggest a reduced inner region within about 100 AU from the star. Introducing the surface density reduction factor $f_c$ for the inner disk, we determine that the best match with the observed radial intensity profile at 24.6\\,$\\mu$m is achieved with $R_c$=88 AU and $f_c$=0.01. We suggest that the extended emission at 24.6\\,$\\mu$m is due to the enhanced emission from a wall-like structure at the boundary radius (the inner edge of the outer disk), which ...

CERN Document Server

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

British Library Electronic Table of Contents (United Kingdom)

Previous research utilizing the AcB/BcA recombinant congenic strains (RCS) of mice mapped provisional quantitative trait loci (QTLs) for the psychostimulant effects of nicotine to multiple regions on chromosomes 7, 11, 12, 14, 16, and 17. The current study was designed to confirm these QTLs in an A/J (A)??C57Bl/6J (B6) F2 cross and a panel of B6.A chromosome substitution strains (CSS). The panel of B6.A CSS consists of 21 strains, each carrying a different A/J chromosome on a B6 background. The A??B6 F2, CSS, A, and B6 mice were tested for sensitivity to the effects of nicotine on locomotor activity using a computerized open-field apparatus. In A??B6 F2 mice two QTLs were identified which confirm those previously observed in the AcB/BcA RCS. Significant differences in the expression of ...

Science.gov (United States)

ABS>A horizontal steam generator design for the SM-2 was lysis to determine the per formance of such a steam generator under steady state operating conditions and during load transients, The configuration for this design is a two- drum unit consisting of a heat exchanger unit and separator drum interconnected by integral riser and downcomer. An analog computer was used to analyze the steam generator behavior Wring load transients. The effect of various design changes on the response of the steam generator to step chages in load was determined. The horizontal steam generator design was compared to the existing vertical steam generator design for weight, size, price, and performance. (auth)

International Nuclear Information System (INIS)

Building on the concepts of MIRD methods described by Webber, Watson and others at this Symposium on the Dosimetry of Administered Radionuclides, we will now consider how to apply these principles to several experimentally based open-quote macroclose quotes and multicellular models. Specifically, methods to calculate absorbed dose using different types of particulate emission (alpha, beta) with a variety of antibody carriers (IgG, F(ab')_2, Fab) for radioimmunotherapy (RIT) will be reviewed. Additionally, a discussion of direct measurement methods at the multicellular level will reveal the problems of tumor absorbed dose heterogeneity when applied to animal and clinical studies.

Energy Technology Data Exchange (ETDEWEB)

Use of hydrogen absorbing alloys in various practical applications is always connected with the problem of production of starting alloys. The transition from laboratory samples to small-scale production involves the change of furnace and its operation mode and this has an effect on the preparation method of mixture of starting metal. Also, for some applications such as thermosorption compressors the exact values of thermodynamical parameters of reaction are needed. In the present work we present the results of investigation of series Laves phase hydrogen-absorbing alloys which can be promising in for use in different devices. 1 ref.

International Nuclear Information System (INIS)

Tumor-targeted monoclonal antibodies (mAb) might be useful as diagnostic or therapeutic agents when linked to cytotoxic or imaging reagents. Our group is working to test this hypothesis by linking cytocidal and image-producing isotopes to mAb and testing the utility of the radioimmunoconjugates formed in animal model systems. Radioiodines were first employed for these purposes,but unfavorable nuclear properties (half-lives, #gamma#-ray and #beta#-particle energies) and chemical reactivity (deiodination in vivo) limit their utility. Labeling immunoproteins with metallic radionuclides offers more versatility in that the selection of potentially useful radiometals spans the periodic table.Of the metallic radionuclides with physical properties most suited for use with mAb in nuclear medicine, few are more available or desirable than those of bismuth ("2"1"2Bi) and lead ("2"0"3Pb, "2"1"2Pb), as listed in Table 1. "2"1"2Bi or ...

UK PubMed Central (United Kingdom)

Although recent data established that a specific very-long-chain fatty acyl-CoA synthetase is defective in X-linked adrenoleukodystrophy (ALD), the ALD gene is still unidentified. The ALD locus has...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Transient enhanced diffusion (TED) of boron in silica after low energy boron implantation and annealing was investigated using boron-doping superlattices (DSLs) grown by low temperature molecular beam epitaxy. Boron ions were implanted at 5, 10, 20, and 40 keV at a constant dose of 2{times}10{sup 14}/cm{sup 2}. Subsequent annealing was performed at 750{degree}C for times of 3 min, 15 min, and 2 h in a nitrogen ambient. The broadening of the boron spikes was measured by secondary ion mass spectroscopy and simulated. Boron diffusivity enhancement was quantified as a function of implant energy. Transmission electron microscopy results show that {l_angle}311{r_angle} defects are only seen for implant energies {ge}10 keV at this dose and that the density increases with energy. DSL studies indicate the point defect concentration in the background decays much slower when {l_angle}311{r_angle} defects are present. These results ...

UK PubMed Central (United Kingdom)

Genetic defects in the dystrophin-associated protein complex (DAPC) are responsible for a variety of pathological conditions including muscular dystrophy, cardiomyopathy, and vasospasm. Conserved DAPC...Full Text Available

UK PubMed Central (United Kingdom)

Normal brain development requires a series of highly complex and interrelated steps. This process presents many opportunities for errors to occur, which could result in developmental defects...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

A system of equations describing transient enhanced diffusion of beryllium in InGaAs due to kick-out mechanism or due to formation, migration, and dissociation of the pairs ''beryllium atom-group III self-interstitial'' is proposed and analyzed. Simulation of coupled diffusion of beryllium atoms and self-interstitials in InGaAs during rapid thermal annealing was done for the case of dual implantation. For the experiment under consideration the first ion implantation of phosphorus atoms produced the region of extended defects that led to ''uphill'' diffusion of implanted Be in the defect region and in the vicinity of the surface. The suggested reason of ''uphill'' diffusion could be related to the nonuniform distribution of group III self-interstitials that was formed due to the absorption of point defects on the ...

UK PubMed Central (United Kingdom)

The properties of an atypical Brucella strain isolated from lymph node tissue of a cow slaughtered as a brucellosis reactor were examined. The organism was Gram negative and highly pleomorphic, existing...Full Text Available

UK PubMed Central (United Kingdom)

Platelet-derived growth factor (PDGF) is a potent moderator of soft tissue repair through induction of the inflammatory phase of repair and subsequent enhanced collagen deposition. We examined the effect...Full Text Available

UK PubMed Central (United Kingdom)

Cancer cells constantly adapt to oxidative phosphorylation (OXPHOS) suppression resulting from hypoxia or mitochondria defects. Under the OXPHOS suppression, AMP-activated protein kinase (AMPK) regulates...Full Text Available

UK PubMed Central (United Kingdom)

We report on the presentation and management of a patient with herniation of the rectum following a coccygectomy. We used an abdominal approach and careful pelvic dissection to define the defect in...Full Text Available

International Nuclear Information System (INIS)

Ion implantation of Si (60 keV, 1x10"1"4/cm"2) has been used to introduce excess interstitials into silicon predoped with high background concentrations of B, which were varied between 1x10"1"8 and 1x10"1"9/cm"3. Following post-implantation annealing at 740 degree C for 15 min to allow agglomeration of the available interstitials into elongated #left brace#311#right brace# defects, the density of the agglomerated interstitials was determined by plan-view transmission electron microscopy observation of the defects. We report a significant reduction in the fraction of excess interstitials trapped in #left brace#311#right brace# defects as a function of boron concentration, up to nearly complete disappearance of the #left brace#311#right brace# defects at boron concentrations of 1x10"1"9/cm"3. The reduction of the excess interstitial concentration is interpreted in terms of boron-interstitial clustering, ...

UK PubMed Central (United Kingdom)

BackgroundA strong association between stress resistance and longevity in multicellular organisms has been established as many mutations that extend lifespan also show increased...Full Text Available

UK PubMed Central (United Kingdom)

We developed mice with germline endogenous expression of oncogenic Hras to study effects on development and mechanisms of tumor initiation. They had high perinatal mortality, abnormal...Full Text Available

UK PubMed Central (United Kingdom)

Japanese medaka (Oryzias latipes) embryos exposed to ethanol have developed craniofacial, cardiovascular and skeletal defects which can be compared with the phenotypic features...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The characteristics of defects induced by Si and Ga focused ion beam (FIB) implantation in n-GaAs have been investigated by means of deep-level transient spectroscopy (DLTS), C--V carrier profiling, and resistance measurements. The DLTS spectra of Si and Ga FIB implanted samples annealed at temperatures up to 500 /sup 0/C are apparently identical to one another and show three different electron traps with an activation energy between 0.25 and 0.6 eV. The resistance increases by more than five orders of magnitude by Si and Ga FIB implantation due to the induced defects. However, it is restored to initial values after annealing at 600 /sup 0/C, except for a sample of Ga implantation with a dose higher than 10/sup 14/ cm/sup 2/ . For annealing of induced defects, there are no intrinsic problems for FIB implantation with a dose lower than 10/sup 13/ cm/sup 2/ .

UK PubMed Central (United Kingdom)

mRNA is sequestered and turned over in cytoplasmic processing bodies (PBs), which are induced by various cellular stresses. Unexpectedly, in Saccharomyces cerevisiae, mutants of the...Full Text Available

UK PubMed Central (United Kingdom)

Lymphocytes from patients with insulin-dependent diabetes mellitus (IDDM), a chronic autoimmune disease, have recently been shown to have decreased surface expression of MHC class I antigens. Since...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

In the present study, the type and densities of defects in AlN crystals grown on 6H-SiC seeds by the sublimation-recombination method were assessed. The positions of the defects in AlN were first identified by defect selective etching (DSE) in molten NaOH-KOH at 400 C for 2 minutes. Etching produced pits of three different sizes: 1.77 m, 2.35 m , and 2.86 m. The etch pits were either aligned together forming a sub-grain boundary or randomly distributed. The smaller etch pits were either isolated or associated with larger etch pits. After preparing crosssections of the pits by the focused ion beam (FIB) technique, transmission electron microscopy (TEM) was performed to determine which dislocation type (edge, mixed or screw) produced a specific etch pit sizes. Preliminary TEM bright field and dark field study using different zone axes and diffraction vectors indicates an edge dislocation with a Burgers vector 1/3[1120] is ...

Energy Technology Data Exchange (ETDEWEB)

Transient-enhanced diffusion (TED) during thermal annealing of ion-implanted B in Si is well established and attributed to the ion-induced, excess interstitials. On the other hand, the mechanism to account for TED of B in preamorphized (PA) Si remains unclear. Enhanced diffusion of the B persists in regrown layers even though the ion-induced interstitial defects responsible for TED in B{sup +}-only implanted Si are eliminated following regrowth. To test the hypothesis that TED in PA Si results from the {open_quotes}excess{close_quotes} interstitial-type defects below the amorphous-crystalline (a-c) interface, a buried PA layer has been recrystallized from the surface inward to the SiO{sub 2} interface of silicon-on-insulator material to eliminate all possible sources of excess interstitials. The effect on B diffusion and the role of the residual interstitial-type defects will be discussed. {copyright} {ital 1999 American ...

UK PubMed Central (United Kingdom)

In a previous study we found that nanofibrous poly(l-lactic acid) (PLLA) scaffolds mimicking collagen fibers in size were superior to solid-walled scaffolds in promoting osteoblast differentiation...Full Text Available

UK PubMed Central (United Kingdom)

Molecular chaperones protect cells from the deleterious effects of protein misfolding and aggregation. Neurotoxicity of amyloid-beta (Aβ) aggregates and their deposition in senile plaques are...Full Text Available

UK PubMed Central (United Kingdom)

SUMMARYAmeloblastin (AMBN) is the second most abundant extracellular matrix protein produced by the epithelial cells called ameloblasts and is found mainly in forming dental enamel....Full Text Available

CERN Document Server

We point out that the moduli sector of the $(2,2)$ string compactification with its nonperturbatively preserved non-compact symmetries is a fertile framework to study global topological defects, thus providing a natural source for the large scale structure formation. Based on the target space modular invariance of the nonperturbative superpotential of the four-dimensional N=1 supersymmetric string vacua, topologically stable stringy domain walls are found. They are supersymmetric solutions, thus saturating the Bogomolnyi bound. It is also shown that there are moduli sectors that allow for the global monopole-type and texture-type configurations whose radial stability is ensured by higher derivative terms.

Energy Technology Data Exchange (ETDEWEB)

The defects localization in power cables follows several steps: identification, pre-localization and precise localization. Pre-localization methods, other than echo-metry, are presented first: bridge methods, particular case of low voltage networks, future perspectives. Then, the precise localization methods are described: magneto-acoustic method, audible frequencies method. The particular case of underwater and high-voltage cables is considered too (oil and gas leaks detection). (J.S.)

Energy Technology Data Exchange (ETDEWEB)

Magnetic behavior in three compounds RTa{sub 3}O{sub 9} (R = Nd, Eu and Ho) with defect-perovskite structures has been investigated by DC magnetic susceptibility. The susceptibility of NdTa{sub 3}O{sub 9} shows strong influence of crystal field. For EuTa{sub 3}O{sub 9} a typical Van Vleck paramagnetism has been observed. HoTa{sub 3}O{sub 9} obeys a Curie-Weiss law above 20 K. (orig.) 8 refs.

Energy Technology Data Exchange (ETDEWEB)

This study deals with the application of wavelet analysis to detection and characterization of defects from eddy-current and ultrasonic testing signals of a low signal-to-noise ratio. Presented in this paper are the methods for processing eddy-current testing signals of heat exchanger tubes of a steam generator in a nuclear power plant. The results of processing eddy-current testing signals of tube test pieces with artificial flaws show that the flaw signals corrupted by noise and/or non-defect signals can be effectively detected and characterized by using the wavelet methods. (author)

International Nuclear Information System (INIS)

To evaluate the radiological patterns of vascular invasion in peripheral cholangiocarcinomas. Hepatic arteriography and portography in 20 cases with cholangiocarcinoma including 12 cases with angiographic CT were retrospectively analyzed. The arteriography showed no arterioportal shunt, hypertrophy of tumor vessel, or tumor staining extending to central portion of the mass in all cases. However, doughnut shaped peripheral tumor staining was seen until late hepatogram phase in 12 cases and compensatory hyperperfusion around the mass was seen in six cases (eight cases if include arterial CT). Encasement of tumor vessel was seen in 12 cases, and hypertrophy of feeding vessel in nine cases. On portography, the filling defect on segmental portal branch could be demonstrated only in 11 cases. Shape of the portal defect was tapered narrowing in six cases, abrupt narrowing in two cases but intraluminal nodular filling defect was ...

Energy Technology Data Exchange (ETDEWEB)

The evaluation of possible manufacture-based defects in turbine shafts and housings for component serviceability relevance is of particular interest not only in post-manufacturing NDT but also in evaluation of NDT results obtained by in-service inspections of components with long service lives. The results discussed in the paper are summarized as follows: Most of the examined natural defects in the forgings and castings behave like cracks under the simulated operating conditions and hence may well be evaluated by fracture mechanical methods for their serviceability relevance determined by crack propagation under fatigue, creep and creep-fatigue stress. The empirical correlation of true defect size and US testing results (echo signal, echodynamics, attenuation) permits improved determination of true defect sizes in the turbine components. Care has to be taken to select the proper testing and evaluation ...

International Nuclear Information System (INIS)

Transient Enhanced Diffusion (TED) of dopants in Si is the consequence of the evolution, upon annealing, of a large supersaturation of Si self-interstitial atoms left after ion bombardment. In the case of amorphizing implants, this supersaturation is located just beneath the c/a interface and evolves through the nucleation and growth of End-Of-Range (EOR) defects. For this reason, the authors discuss here the relation between TED and EOR defects. Modelling of the behavior of these defects upon annealing allows one to understand why and how they affect dopant diffusion. This is possible through the development of the Ostwald ripening theory applied to extrinsic dislocation loops. This theory is shown to be readily able to quantitatively describe the evolution of the defect population (density, size) upon annealing and gives access to the variations of the mean supersaturation of Si self-interstitial ...

Energy Technology Data Exchange (ETDEWEB)

As semiconductor device density and wafer area continue to increase, the volume of in-line and off-line data required to diagnose yield-limiting conditions is growing exponentially. To manage this data in the future, analysis tools will be required that can automatically reduce this data to useful information, e.g., by assisting the engineer in rapid root-cause diagnosis of defect generating mechanisms. In this paper, the authors describe a technology known as Spatial Signature Analysis (SSA) and its application to both optically-detected defect data as well as electrical test (e-test) bin data. The results of a validation study are summarized that demonstrate the effectiveness of the SSA approach on optical defect wafermaps through field-testing at three semiconductor manufacturing sites on ASIC, DRAM and SRAM products. This method has been extended to analyze and interpret electrical test data and to provide a pathway for ...

Energy Technology Data Exchange (ETDEWEB)

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

British Library Electronic Table of Contents (United Kingdom)

The T cell receptor is a fundamental mediator of the adaptive immune responses, since TR ab on T cells recognize foreign structures (peptides derived from processed antigens) bound to the major histocompatibility complex (MHC) on APC cells. In the present study, we report the cloning of six TRB chains cDNA sequences from gilthead sea bream (Sparus aurata), a fish of high economical impact in South Mediterranean aquaculture. The V-BETA domains have the canonical features of known teleost and mammalian TR V-BETA domains and have been divided in four different subgroups. A multiple alignment of the six sea bream TRB chains with other known TRB sequences was assembled and showed the conservation of the four cysteine residues involved in disulphide bonds and of some amino acids with an importan...

Energy Technology Data Exchange (ETDEWEB)

A survey was undertaken of literature on the conversion of coke-fired cupola furnaces so that they can be fuelled, either wholly or partially, with natural gas. The aim was to determine the most suitable method for a specific furnace. Substitution with natural gas can result in speedier adjustment and control of the smelting process and in addition operational costs are reduced as natural gas is a cheaper fuel. The payback period would be one year. Pollutive emissions would be reduced. It was concluded that the most satisfactory solution would be that 3-4 gas burners should be placed immediately above the smelting zone in the furnace. Each burner should be placed in a separate combustion box in which the complete combustion process could take place. The burners should be placed symmetrically about the furnace, pointing at a small degree downwards. In this way the combustion chamber will not be filled with materials from the furnace and the burners will not be damaged. ...

British Library Electronic Table of Contents (United Kingdom)

A new chemical reactor, the Open Plate Reactor, is being developed by Alfa Laval AB. It combines good mixing with high heat transfer capacity into one operation. With the new concept, highly exothermic reactions can be produced using more concentrated reactants. A nonlinear model of the reactor is derived and a control system is developed. For temperature control a cooling system is designed and experimentally verified, which uses a mid-ranging control structure to increase the operating range of the hydraulic equipment. A Model Predictive Controller is proposed to maximize the conversion under hard input and state constraints. An extended Kalman filter is designed to estimate unmeasured concentrations and parameters. Simulations show that the designed control system gives high conversion ...

Energy Technology Data Exchange (ETDEWEB)

ABB High Voltage Cables AB started the MPS (More Power Submarine cables) project in 1993 with a view to exploring new technology opportunities. The goal is to design and type test a submarine HVDC cable for a capacity of 1200 MW at 600 kV. On the day before ABB announced its success in winning the contract for the world`s largest ever submarine HVDC link project for the gigantic Bakun project in Malaysia, ABB Power Systems described progress to date at a symposium in Karlskrona. The proceedings included a test demonstration on an extruded cable which eventually broke down at a stress of over 935 kV -not in the insulation itself but in the end terminations. The electric field was in excess of 200 kV/mm which is higher than ever before reported. (UK)

British Library Electronic Table of Contents (United Kingdom)

2-methylpropan-1-ol (isobutanol) is a leading candidate biofuel for the replacement or supplementation of current fossil fuels. Recent work has demonstrated glucose to isobutanol conversion through a modified amino acid pathway in a recombinant organism. Although anaerobic conditions are required for an economically competitive process, only aerobic isobutanol production has been feasible due to an imbalance in cofactor utilization. Two of the pathway enzymes, ketol-acid reductoisomerase and alcohol dehydrogenase, require nicotinamide dinucleotide phosphate (NADPH); glycolysis, however, produces only nicotinamide dinucleotide (NADH). Here, we compare two solutions to this imbalance problem: (1) over-expression of pyridine nucleotide transhydrogenase PntAB and (2) construction of an NADH-de...

Energy Technology Data Exchange (ETDEWEB)

The overall aim is to develope programme modules for a Danish integrated computer system for projecting buildings and to ensure that Danish programmes are compatible with international systems. The programmes to be integrated here were AutoCAD and SCRIBE-Models and the simulation programme tsbi3 for the calculation of indoor climate conditions, power demand and energy consumption in buildings. For the calculation of humidity and temperature conditions in constructions a certain amount of integration is carried out with the MATCH programme (Moisture And Temperature calculations for Constructions of Hygroscopic materials). The activities embodied in the pilot projects are described in this working report in addition to individual computer programmes and prototypes, and examples and diagrams are presented. The programmes described deal with handling design elements in relation to AutoCAD designs, and the formatting of a building`s data from AutoCAD to tsbi3 format. ...

International Nuclear Information System (INIS)

The rates of spontaneous interbilayer and transbilayer exchange of ["3H]dimyristoylphosphatidylcholine (["3H]DMPC) were examined in the DMPC and DMPC/dimyristoylphosphatidylethanolamine (DMPE) large unilamellar vesicles in the liquid-crystalline-, gel-, and mixed-phase states. DMPC desorption rates from either gel or liquid-crystalline phases containing DMPE are very similar to the corresponding rates from pure DMPC gel or liquid-crystalline phases. The authors proposed that the DMPC/DSPC behavior results from packing defects in gel phases composed of both DMPC and DSPC molecules because of the four-carbon difference in the acyl chain lengths of the two species. The present results strongly support this hypothesis because no such anomalous behavior is observed in DMPC/DMPE, which is similar to DMPC/DSPC in phase behavior but does not have the chain length difference. These results are not consistent with lipid headgroup dehydration as the major energetic barrier to ...

Energy Technology Data Exchange (ETDEWEB)

As silicon-integrated circuit technology enters the sub-100 nm realm, continued progress will depend on a fundamental understanding of the physics of materials processing. The high cost of processing experimental lots and the speed at which new devices must be brought to the market have created a new emphasis on realistic physical models incorporated in technology CAD (TCAD) simulation tools. The volume bring together materials scientists, TCAD researchers and silicon technologists to review recent developments in the integrated-circuit community and to identify key issues for future research in this field. Results of research on the physical mechanisms involved in silicon device processing is presented both from experimental and theoretical viewpoints. The application of this fundamental research to TCAD process simulation models is also addressed. Topics include: shallow junctions and transient enhanced diffusion; extended defects and transient enhanced ...

International Nuclear Information System (INIS)

Fluorine is known to have a beneficial role for the B diffusion reduction in preamorphized Si, and is promising for the realization of ultra-shallow junctions. Thus, we studied the F incorporation in Si during the solid phase epitaxy (SPE) process, pointing out the effects of the implanted F energy and fluence and the role played by the possible presence of dopants. The incorporation of fluorine proceeds by F segregation at the amorphous-crystalline interface, with a kinetics driven by the SPE rate. In fact, the quicker the SPE rate, the higher is the F fluence retained. Moreover, we demonstrated that F incorporated in Si layers does not appreciably affect the Is emission from spatially separated end-of-range (EOR) defects. The modification, induced by the presence of F, of the point defect density (Is and Vs) was also studied by means of B and Sb spike layers, used as local markers for Is and Vs, respectively. We showed that F is not only able ...

International Nuclear Information System (INIS)

We demonstrate that the excess vacancies induced by a 1 MeV Si implant reduce the excess interstitials generated by a 40 keV Si implant during thermal annealing when these two implants are superimposed in silicon. It is shown that this previously observed reduction is dominated by vacancy annihilation and not by gettering to deeper interstitial-type extended defects. Interstitial supersaturations were measured using B doping superlattices (DSL) grown on a silicon-on-insulator (SOI) substrate. Implanting MeV and keV Si ions into the B DSL/SOI structure eliminated the B transient enhanced diffusion normally associated with the keV implant. The buried SiO_2 layer in the SOI substrate isolates the deep interstitials-type extended defects of the MeV implant, thereby eliminating the possibility that these defects getter the interstitial excess induced by the keV Si implant. copyright 1999 American Institute of Physics.

International Nuclear Information System (INIS)

Ge pre-amorphisation step is used to reduce the high diffusivity and the transient-enhanced diffusion of boron implanted in silicon. The aim of the process is to obtain shallow P"+N junctions. The pre-amorphisation step was performed under different conditions (in ambient temperature and in nitrogen). Following the rapid thermal annealing step, end of range (EOR) defects appear at the amorphous-crystalline interface. These defects could influence the electrical characteristics of the P"+N junctions. An experimental study concerning three samples has been performed without and under a magnetic field of 800 G. The magnetic susceptibility was essentially observed in the case of the reverse current. The impact of the magnetic field, studied by varying the sample temperature, permits us to show an increase of the magnetic susceptibility when the defects present in such structures are electrically active. These results are ...

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

The rate of residual-resistivity increase and the isochronal recovery have been studied on the fcc metals Al, Ni, Cu, Pd, Ag, Pt, and Au irradiated at 4.6 K with reactor neutrons to a dose of about 10"1"9 (fast neutrons)/cm"2. The rate of resistivity increase is nonlinear as a function of irradiation-induced resistivity; computer analysis shows that the data are best fitted with an erxpression having up to third-order terms in #DELTA#rho. There are deviations from simple damage-rate theory in all cases, but an anomalous negative deviation from a linear law (convex curvature) is observed in Ni, Pd, Pt (and Fe). This behavior is most probably caused by a decrease of the specific Frenkel-defect resistivity due to defect clustering, an effect which should contribute in all metals after fast-neutron irradiation to high doses. Saturation values of resistivity and defect concentration as well as recombination volumes have veen ...

International Nuclear Information System (INIS)

Pressureless-sintered AlN and hot-pressed, pressureless-sintered and reaction-bonded SiC were neutron irradiated at temperatures between 100 and 785degC up to a fluence of 5.2 x 10"2"4 n/m"2. The hardness was increased by up to 51% in AlN and 84% in SiC. The hardness decreased after annealing at temperatures around the irradiation temperature. At the same temperatures, the macroscopic length, which was increased by irradiation, also began to decrease. The hardness and length were almost recovered after 1,200 #approx# 1,400degC annealing. Thus, hardening in irradiated AlN and SiC is controlled by the number of point defects, or, more precisely, by the strain caused by small point defect clusters which pin down dislocation movement. Dislocation loops were still observed in some samples after 1,400degC annealing while the hardness was almost recovered to that in the unirradiated state. Thus, the existence of dislocation loops is not grounds for ...

International Nuclear Information System (INIS)

The downstream failure of cable during winding, insulating, coil winding, and coil assembly is a significant issue in magnet production. The impact of these failures is costly both financially and because of the time needed to recover from them. The current approach to cabling has been to visually inspect the cable for any gross defects during cabling. To date this has been effective in finding small defects such as crossovers, which drastically reduce the mechanical integrity of the strand and thus of the cable itself. But because of the large volume of cable that will be manufactured, an automated flaw detection system that can inspect the cable and detect these types of defects will be needed. We have recently done an on-line experiment using an Eddy current system and specialized Eddy current probes to inspect cable during manufacturing. We will present the results of our inspection, demonstrating detection of ...