The lattice deformation and the energy of antiphase boundaries in Fe-Si alloys

The lattice deformation across the antiphase boundary and the energy of both types (a/2111 anda(100) of antiphase boundaries lying in {110} plane are calculated using a series of three interatomic potentials fitted to experimental data. It is shown that the relaxation of atomic planes in the vicinity of antiphase boundary is important for thea/2111 antiphase boundary and is negligible for a 100 antiphase boundary in the DO₃ structure.The author is grateful to Dr. F.Kroupa and to Dr. A.Gemperle for valuable discussions.     

Quantum conformal superspace

For a compact connected orientablen-manifoldM, n 3, we study the structure ofclassical superspace ,quantum superspace ,classical conformal superspace , andquantum conformal superspace . The study of the structure of these spaces is motivated by questions involving reduction of the usual canonical Hamiltonian formulation of general relativity to a non-degenerate Hamiltonian formulation, and to questions involving the quantization of the gravitational field. We show that if the degree of symmetry ofM is zero, thenS,S ₀,C, andC ₀ areilh orbifolds. The case of most importance for general relativity is dimensionn=3. In this case, assuming that the extended Poincaré conjecture is true, we show that quantum superspaceS ₀ and quantum conformal superspaceC ₀ are in factilh-manifolds. If, moreover,M is a Haken manifold, then quantum superspace and quantum conformal superspace arecontractible ilh-manifolds. In this case, there are no Gribov ambiguities for the configuration spacesS ₀ andC ₀. Our results are applicable to questions involving the problem of thereduction of Einstein's vacuum equations and to problems involving quantization of the gravitational field. For the problem of reduction, one searches for a way to reduce the canonical Hamiltonian formulation together with its constraint equations to an unconstrained Hamiltonian system on a reduced phase space. For the problem of quantum gravity, the spaceC ₀ will play a natural role in any quantization procedure based on the use of conformal methods and the reduced Hamiltonian formulation.     

Segregations at antiphase boundaries in hexagonal close-packed superstructures. II

As was shown in the first part of this study [1], slip occurs in polycrystalline ordered Mg₃Cd, which has a DO₁₉ superstructure, along the {0001} basis planes, {1010} prismatic planes, and {1011} and {1012} pyramidal planes [2,3]. The formation of segregations at antiphase boundaries (APB's) in the {0001} basis and {1011} pyramidal planes was also examined there [1]. Segregations at APB's in planes are treated in this second part of the study. A zero-energy APB may form in the prismatic plane [4]. Segregation of atoms, on the other hand, is not allowed at such an APB according to the Gorskii-Bragg-Williams theory if correlation and interaction in the second and higher coordination spheres are not taken into account.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii Fizika, Vol. 12, No. 5, pp. 62–70, May, 1969.The authors thank N. S. Golosov and N. V. Kozhemyakin for discussion of this study and valuable advice.     

Some physical properties of KCl+Pb2+ crystals

This paper presents the results of measurements of the mechanical and electrical properties of as-received pure and lead-doped crystals of potassium chloride. The critical resolved shear stress of the crystals obeys the Franks relationship in the whole concentration range. In addition, the correlation between ₀ and the Vickers hardness numberH was found and the equation is of the form ₀=k (H–H ₀). The solubility of Pb²⁺ in as-received KCl crystals was observed, from measurements of the electrical conductivity, to be low—the successive saturation of the solid solution started already in an environment of 5 mole ppm in agreement with data from the mechanical measurements. The density of cation vacancies and their mobility were represented by the following euqations ₁ T=6·25×10⁴ exp(–·75/kT) cm² K/volt. sec,n ₁=6·95×10²³ exp(–2·12/kT) vacancies/cm³ The value of 0sd46±0·02 eV was found as a rough estimate of the association energy.The authors wish to express their thanks to Professor Dr. J. Z.Damm and Ing. E.Mariani for their stimulating interest in the present work.     

Kinetics of spinodal decomposition in Fe-Si alloys

The spinodal decomposition in the two-phase region of the phase diagram (B₂ + DO₃) of Fe-Si alloys is studied on the basis of the generalized diffusion equation. The configurational free energy is calculated in the Bragg-Williams-Gorsky approximation. The effect of the coherency strain energy is estimated. In the main part of the paper the Langer's method is applied in the investigation of the coarsening rate in Fe-Si system with a good agreement with experimental data in a broad range of annealing times. The limitations of such approach are discussed with respect to the Khachaturyan's theory of the periodic distributions of decomposition products.The author is grateful to Dr. F.Kroupa for his guidance and encouragement during the course of this work, to Dr. S.Libovický and Dr. A.Gemperle for discussions of their latest experimental results.     

Correlations between D and [`(D)]{\overline D} mesons produced in 500 GeV/cπ?-nucleon interactions

We present a study of correlations between D and mesons produced in 500 GeV/cπ⁻-nucleon interactions, based on data from experiment E791 at Fermilab. We have fully reconstructed 791 ± 44 charm meson pairs to study correlations between the transverse and longitudinal momenta of the two D mesons and the relative production rates for different types of D meson pairs. We see slight correlations between the longitudinal momenta of the D and the , and significant correlations between the azimuthal angle of the D and the . The experimental distributions are compared to a next-to-leading-order QCD calculation and to predictions of the PYTHIA/JETSET Monte Carlo event generator. We observe less correlation between transverse momenta and different correlations between longitudinal momenta than these models predict for the default values of the model parameters. Better agreement between data and theory might be achieved by tuning the model parameters or by adding higher order perturbative terms, thus contributing to a better understanding of charm production.The relative production rates for the four sets of charm pairs, as calculated in the PYTHIA/JETSET event generator with the default parameters, agree with data as far as the relative ordering, but predict too many pairs and too few pairs.     

Theoretical Investigations of the Spin Hamiltonian Parameters for the Mononuclear Square Pyramidal [CuO<Subscript>5</Subscript>] Groups in Two Paddle Wheel Copper Complexes

The spin Hamiltonian parameters (SHPs) (g factors and hyperfine structure constants) for the mononuclear square pyramidal [CuO₅] groups in two paddle wheel copper complexes {Cu₂(μ₂–O₂CCH₃)₄}(OCNH₂CH₃) and \({}_{\infty }^{3} [{\text{Cu}}_{ 2}^{\text{I}} {\text{Cu}}_{ 2}^{\text{II}} ( {\text{H}}_{ 2} {\text{O)}}_{ 2} {\text{L}}_{ 2} {\text{Cl}}_{ 2} ]\) are theoretically investigated from the perturbation calculations of these parameters for a rhombically elongated octahedral 3d ⁹ group. The slightly larger anisotropy Δg (≈ g _// ? g_⊥) of complex 1 than complex 2 is attributed to the slightly bigger deviations of the polar angles related to the ideal value 90° and relative differences between the axial and basal Cu–O distances in the former. The axiality of the EPR signals for both systems can be illustrated as the fact that the perpendicular anisotropic contributions to X and Y components of the SHPs arising from the four basal ligands with slightly distinct bond lengths and bond angles may roughly cancel one another. The signs of hyperfine structure constants are also theoretically determined for both complexes.     

Die absolute Intensität der durch Elektronenstoß in einer dicken Wolfram-Antikathode erzeugtenL α -Strahlung

The number\(N_{L_\alpha }^{dir} \) (produced) ofL _α -photons produced by electron-bombardment in a thick target of tungsten per incident electron has been measured absolutely with the Ross-filter method and relatively with the crystal-spectrometer method in the energyregion up to the 3.6 times theL _III-ionization energy\(E_{L_{III} } \). The result can be presented in the following empirical form:\(N_{L_\alpha }^{dir} \) (produced)=4π·?·(U ₀?1) ⁿ with ?=0.52·10^?4±5% andn=1.44±0.02\((U_0 = E_0 /E_{L_{III} }< 3.6)\). Out of this the number\(n_{L_{III} } \) ofL _III-ionizations per electron which is slowed down to the energy\(E_{L_{III} } \) within the target, has been evaluated. The computation of\(n_{L_{III} } \) out of the elementary process by usingBethe's non-relativistic formulae for totalL _III-ionization cross sectionQ _L and energy loss-dE/ds is in full agreement with experiment in the region 2<U ₀<3.6, if the constants in\(Q_{L_{III} } \) are chosen as follows:\(B = 4E_{L_{III} } , b_{L_{III} } = 0.25 \cdot 5.89\). By comparison of this result for\(b_{L_{III} } \) with the corresponding value ofb _K in the totalK-ionization cross-sectionQ _K for copper (b _K=0.35·2.26) it is concluded that\(Q_{L_{III} } \) is considerably higher than predicted by theory. The necessary correction factors as e.g. loss ofL _III-ionizations by rediffusion of electrons and portion of indirectly producedL _α -radiation-radiation are determined for tungsten quantitatively.     

Probing spin-orbit quenching in Cl (2P) + H2 via crossed molecular beam scattering

In our previous work we investigated electronically non-adiabatic effects in using crossed molecular beam scattering coupled with velocity mapped ion imaging. The prior experiments placed limits on the cross-section for electronically non-adiabatic spin-orbit excitation and electronically non-adiabatic spin-orbit quenching . In the present work, we investigate electronically non-adiabatic spin-orbit quenching for which is the required first step for the reaction of Cl^* to produce ground state HCl+H products. In these experiments we collide Cl (²P) with H₂ at a series of fixed collision energies using a crossed molecular beam machine with velocity mapped ion imaging detection. Through an analysis of our ion images, we determine the fraction of electronically adiabatic scattering in Cl^* +H₂, which allows us to place limits on the cross-section for electronically non-adiabatic scattering or quenching. We determine the following quenching cross-sections σ _quench(2.1 kcal/mol) = 26 ± 21 ?², σ _quench(4.0 kcal/mol) = 21 ± 49 ?², and σ _quench(5.6 kcal/mol) = 14 ± 41 ?².     

A new method for calculating three-particle interaction in the theory of modulus elasticity

We propose a new method for calculating the potential of multiparticle interaction. Our method considers the energy symmetry for clusters that contain N identical particles with respect to permutation of the number of atoms and free rotation in three-dimensional space. As an example, we calculate moduli of third-order rigidity for copper considering only the three-particle interaction. We analyze nine models of energy dependence on the polynomials that form the integral rational basis of invariants (IRBI) for the group G ₃ = O(3) ? P ₃. In this work, we use only the simplest relation between energy and the invariants forming the IRBI: \(\varepsilon \left( {\left. {i,k,l} \right|j} \right) = \sum\nolimits_{i,k,l} {\left[ { - A_1 r_{ik}^{ - 6} + A_2 r_{ik}^{ - 12} + Q_j I_j^{ - n} } \right]}\), where I _j is the invariant number j (j = 1, 2,..., 9). The results are in good agreement with the experimental values. The best agreement is observed at n = 2, j = 4: \(I_4 = \left( {\vec r_{ik} \vec r_{kl} } \right)\left( {\vec r_{kl} \vec r_{li} } \right) + \left( {\vec r_{kl} \vec r_{li} } \right)\left( {\vec r_{li} \vec r_{ik} } \right) + \left( {\vec r_{li} \vec r_{ik} } \right)\left( {\vec r_{ik} \vec r_{kl} } \right)\).     

Bar-shaped nanoparticles of iron(II) hydroxide

Formation of elongated nanoparticles was observed when was precipitated from solutions containing excess of Fe²⁺. The average diameter of the particles was 23 nm; the length to diameter ratio was up to 14. This shape was an unexpected phenomenon because bar- or needle-like nanoparticles have been earlier reported only for Fe(III)-based materials. Chemical analysis revealed Fe(OH)₂ nature of the obtained particles. In addition, this conclusion was verified with a new simple method for quantitative evaluation of the particle morphology. Application of this method to the mixed samples allowed to distinguish between the two different compounds and to attribute different morphologies to Fe(OH)₂ or Results indicate that bars are frequent shapes of nano-sized iron oxides/hydroxides.     

Fougerite FeII − III oxyhydroxycarbonate in environmental chemistry and nitrate reduction

The identification of the fougerite mineral responsible for the bluish-green shade of gleysols in aquifers as being the Fe^II???III oxyhydroxycarbonate $\text{GR}(\text{CO}_{3}^{2-})^*$ of formula, $[\text{Fe}^{\rm II}_{6x}\text{Fe}^{\rm III}_{6(1 - x)}\text{O}_{12}\text{H}_{2(7-3x)}]^{2+}\bullet[\text{CO}_{3}^{2-}\bullet3\text{H}_{2}\text{O}]^{2-}$ where the ferric molar ratio x = [Fe^III/Fe_total] is restricted to the domain [1/3–2/3] induces to study the reactivity of the synthetic green rust for reducing some major pollutants. The oxidation within the solid compound $\text{GR}(\text{CO}_{3}^{2-})^*$ in the presence of nitrates is followed by miniaturized Mössbauer spectrometer (MIMOS). Ratio x = [Fe^III/Fe_total] increases up to 0.67 where $\text{GR}(\text{CO}_{3}^{2-})^*$ transforms gradually into magnetite. This could well explain the composition variability of fougerite occurrences.     

Experimental and theoretical studies on the role of silver in gold nanorods growth

Gold nanorods (AuNRs) have attracted high attention because of their multifunctions and potential applications in optical, electronic, catalytic and biomedical areas. This study demonstrates a key role of silver (Ag) atoms/clusters, experimentally and theoretically, in the formation and growth of AuNRs. It was found that the addition of silver salt (silver nitrate) can preferably deposit on certain Au crystalline {100} and/or {110} facets to affect the stacking of Au atoms when form and grow to AuNRs in the reported reaction system, resulting in slower atomic stacking on these two {100} and {110} facets but regular growth on the {111} facets. If no use of silver salt(s), gold nanospheres rather than nanorods were obtained in such a reaction system. It was found, by theoretical simulations (molecular dynamic method, MD), that Ag atoms can be oxidized to Ag⁺ ions by AuCl₄ ^? ions and exist in a short lifetime, which finally diffuses out from the Au crystal structure. The findings would be useful for better understanding the role of Ag in the formation and growth of AuNRs with crystal facet control, which will be beneficial for catalytic and gas sensing applications that often require highly exposed crystalline facets.

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Graphical abstract Silver-assisted synthesis of gold nanorods in the presence of CTAB in aqueous solution has been confirmed by both experimental method and molecular dynamic simulations.

     

Measurements of charged kaon semileptonic decay branching fractions K±→π0μ±ν and K±→π0e±ν and their ratio

In an earlier paper [1], the background for K_e3 was over estimated due to an erroneous calculation of the electron identification efficiency. The correct ratios of the partial widths involving this channel are and . Assuming the PDG value [2] for the K_2π branching ratio, the measured branching fraction of Br (K_e3) continues to exceed the current PDG value [2]. The extracted value of |V_us|f₊(0) is in agreement with the CKM unitary prediction; thus, our conclusions in [1] do not change. The online version of the original article can be found at     

Single-particle inclusive spectra of charged particles in ¯pp interactions at 22·4 GeV/c

The inclusive spectra for ¯pp collisions at 22·4 GeV/c are investigated. The transversal momentum distribution resembles the corresponding one in high energy pp interactions. The cross section in the central region is 28±mb. They ^*-distribution of secondary particles in the central region indicates a charge asymmetry with the asymmetry parameter having the value 0.15±0·01. The upper limit of the diffraction dissociation of the beam particle is estimated to be mb.The authors want to express their gratitude to the staff responsible for the operation of the Serpukhov accelerator and of the beam channel no. 9 and to the technical staff of the LUDMI-LA HBC. We also thank the technicians and assistants at all laboratories for their excellent work. The authors from the Moscow State University want to express their gratitude to Prof. V. G.Shevchenko for his continuous support of this work.     

Thermal equilibrium concentrations and effects of negatively charged Ga vacancies in n-type GaAs

We have calculated the thermal equilibrium concentrations of the various negatively charged Ga vacancy species in GaAs. The triply-negatively-charged Ga vacancy, V _Ga ^3– , has been emphasized, since it dominates Ga self-diffusion and Ga-Al interdiffusion under intrinsic and n-doping conditions, as well as the diffusion of Si donor atoms occupying Ga sites. Under strong n-doping conditions, the thermal equilibrium V _Ga ^3– concentration, , has been found to exhibit a temperature independence or a negative temperature dependence, i.e., the value is either unchanged or increases as the temperature is lowered. This is quite contrary to the normal point defect behavior for which the point defect thermal equilibrium concentration decreases as the temperature is lowered. This property provides explanations to a number of outstanding experimental results, either requiring the interpretation that V _Ga ^3– has attained its thermal equilibrium concentration at the onset of each experiment, or requiring mechanisms involving point defect non-equilibrium phenomena.     

A measurement of semileptonic B decaysto narrow orbitally-excited charm mesons

The decay chain is identified in a sample of 3.9 million hadronic Z decays collected with the OPAL detector at LEP. The branching ratio BR is measured to be for the J ^P =1⁺ (D⁰ ₁) state. For decays into the J ^P =2⁺ (D₂ ^*0) state, an upper limit of 1.4 x 10^-3 is placed on the branching ratio at the 95% confidence level.Received: 20 December 2002, Revised: 15 April 2003, Published online: 12 September 2003     

Structure of some FeII − III hydroxysalt green rusts (carbonate, oxalate, methanoate) from Mössbauer spectroscopy

The abundances of Fe^II and Fe^III environments within green rusts one, GR1s, that intercalate carbonate, oxalate and methanoate (formate) anions are found from Mössbauer spectra for compositions corresponding to [Fe $^{\rm II}_{6}$ Fe $^{\rm III}_{2}$ (OH)₁₆]^2?+??[CO $_{3}^{2-}$ ?5H₂O]^2???, [Fe $^{\rm II}_{4}$ Fe $^{\rm III}_{2}$ (OH)₁₂]^2?+??[CO $_{3}^{2-}$ ?3H₂O]^2???, [Fe $^{\rm II}_{6}$ Fe $^{\rm III}_{2}$ (OH)₁₆]^2?+??[C₂O $_{4}^{2-}$ ?4H₂O]^2??? and [Fe $^{\rm II}_{5}$ Fe $^{\rm III}_{2}$ (OH)₁₄]^2?+??[2HCOO^????3H₂O]^2???. These formulae correspond to orders α, β and γ where cation distances are (2 × a ₀), ( $\surd 3$ × a ₀) or a mixture of both leading to (7 × a ₀), where ratio x = {[Fe^III]/[Fe_total]} = 1/4, 1/3 and 2/7, respectively. Anion distributions within interlayers are also devised and long-range orders determined accordingly.     

AC conductivity scaling behavior in grain and grain boundary response regime of fast lithium ionic conductors

AC conductivity spectra of Li-analogues NASICON-type Li_1.5Al_0.5Ge_1.5P₃O₁₂ (LAGP), Li–Al–Ti–P–O (LATP) glass–ceramics and garnet-type Li₇La₂Ta₂O₁₃ (LLTO) ceramic are analyzed by universal power law and Summerfield scaling approaches. The activation energies and pre-exponential factors of total and grain conductivities are following the Meyer–Neldel (M-N) rule for NASICON-type materials. However, the garnet-type LLTO material deviates from the M-N rule line of NASICON-type materials. The frequency- and temperature-dependent conductivity spectra of LAGP and LLTO are superimposed by Summerfield scaling. The scaled conductivity curves of LATP are not superimposed at the grain boundary response region. The superimposed conductivity curves are observed at cross-over frequencies of grain boundary response region for LATP by incorporating the \( \exp \left( {{{ - (E_{A}^{t} - E_{A}^{g} )} \mathord{\left/ {\vphantom {{ - (E_{A}^{t} - E_{A}^{g} )} {kT}}} \right. \kern-0pt} {kT}}} \right) \) factor along with Summerfield scaling factors on the frequency axis, where \( E_{A}^{t} \) and \( E_{A}^{g} \) are the activation energies of total and grain conductivities, respectively.     

HF heating of a plasma column at frequencies below the electron cyclotron frequency

Dispersion of waves, excited by the helical structure in a plasma column and the heating of a tail of the electron distribution function is studied at frequencies below the electron plasma and the electron cyclotron frequency.We wish to thank Dr. R.Klíma for valuable discussions and Dr. J.Lacina and Mrs. P.Jaroová for the computational work. We also thank Dr. L.Bárdo, Dr. L.Kryka and Dr. G. L.Khorosanov from Sukhumi Institute, USSR, for their help during different stages of the experiment. We are indebted to Mr. J.Dvoák, Mr. F.Jiránek and Mr. B.usta for their expert technical assistance.