Effects of pressure on structural,electronic, and mechanical properties of α,β,and γ uranium

The first-principles methods have been employed to calculate the structural, electronic, and mechanical properties of the α, β, and γ phases of uranium under pressure up to 100 GPa. The electronic structure has been viewed in forms of density of states and band structure. The mechanical stability of metal U in the α, β, and γ phases have been examined.The independent elastic constants, polycrystalline elastic moduli, as well as Poisson's ratio have been obtained. Upon compression, the elastic constants, elastic moduli, elastic wave velocities, and Debye temperature of α phase are enhanced pronouncedly. The value of B/G illustrates that α and γ phases are brittle in ground state.     

Effect of ultrasound on the activity and conformation of α-amylase,papain and pepsin

The effect of ultrasound on the activity of α-amylase, papain and pepsin was investigated and the mechanism of the effect was explored by determining their conformational changes. With the irradiation of power ultrasound, the activity of α-amylase and papain was inhibited, while the activity of pepsin was activated. According to the analysis of circular dichroism, Fourier transform infrared and fluorescence spectroscopy, the π_o → π¹ amide transitions and secondary structural components, especially β-sheet, of these three enzymes were significantly influenced by ultrasound. The tryptophan fluorescence intensity of the three enzymes was also observed to be affected by sonication. Furthermore, it was found that the pepsin molecule might gradually be resistant to prolonged ultrasonic treatment and recover from the ultrasound-induced damage to its original structure. The results suggested that the activity of α-amylase, papain and pepsin could be modified by ultrasonic treatment mainly due to the variation of their secondary and tertiary structures.     

Magnetotransport and superconductivity of α-uranium

We have measured the electrical resistivity, magnetoresistance and Hall effect on several new single-crystal samples and one polycrystalline sample of α-U. The residual resistivity ratios of these samples vary from 13 to 315. Matthiessen's law appears to hold above the onset of the charge-density wave phase transitions that begin near 43?K, but not below this temperature. Sharp features at all three charge-density wave transitions are observed and the effects of high magnetic fields on them are presented and discussed. The magnetoresistance is anisotropic, reaches 1000% at 2?K and 18?T and does not exhibit Kohler scaling. The Hall coefficient is positive, independent of magnetic field and slightly temperature dependent above about 40?K in agreement with earlier studies. Below 40?K the Hall coefficient changes sign as the temperature falls, varies with field and becomes much more strongly negative at the lowest temperatures than has been reported. Some of our results suggest that a spin-density wave may coexist with the charge-density wave states. Superconductivity is observed in two of our samples; we argue that it is intrinsic to α-U and suggest that it is consistent with a two-band model. Several parameters characterizing the transport and superconductivity of α-U are estimated.     

Some Properties of Si,Ge, and α-Sn Using Pseudopotential Theory

The pseudopotential theory beyond second order with our well establishedsingle parametric model potential is employed to compute total crystalenergy, static bulk modulus, energy band gap at the point X on theJones-zone face and pressure-volume relation (equation of state underpressure) of Si, Ge and α-Sn using Nagy's static local field correction function. The results are compared with those obtained using few other local field correction functions. The present results of total energy are in good agreement with the experimental data. Bulk modulus calculated byNagy's screening function is perfectly matching with the experimentalresults for Ge and α-Sn. Some deviation is found in the value of energy band gap.     

The α-decay energies and halflives of 195g,mAt and 199Fr

The α-decay energy and halflife of ^195mAt were determined to be 6960±20 keV and 385⁺⁶⁹ ₋₅₁ ms respectively, on the basis of genetic correlations in the ¹⁶⁹Tm(³⁶Ar, α6n)¹⁹⁵At reaction, while those of ^195gAt measured simultaneously were 7105±30 keV and 146⁺²¹ ₋₁₇ ms respectively, reconfirming the previously reported values. A new isotope ¹⁹⁹Fr was also produced and identified in the same way in the ¹⁶⁹Tm(³⁶Ar, 6n)¹⁹⁹Fr reaction, yielding E_α= 7655±40 keV and T_1/2= 12⁺¹⁰ ₋₄ ms. Received: 26 March 1999     

High-voltage conductivity of α-RbAg4I5, α-KAg4I5, and α-KCu4I5 superionic conductors

It is found that the conductivity of RbAg₄I₅, KAg₄I₅, and KCu₄I₅ solid electrolytes in the ??-phase rises with the electric field strength and tends to a limit value in fields on the order of 1 MV/m. The high-voltage limit of conductivity exceeds the low-voltage one by 100% or more. The application of an intense electric pulse raises the conductivity of the electrolytes by 35%, and the activated state exhibits an anomalously long relaxation time.     

Phonon density of states in γ-, β-, and α-AgCuS

The ternary superionic conductor AgCuS was studied by means of inelastic neutron scattering at temperatures of 150 to 398 K. The experimental time-of-flight spectra were recalculated into the generalized phonon density of states G(ɛ) in an incoherent approximation. It is shown that G(ɛ) of AgCuS has a nontrivial temperature dependence over the low-energy range. The relation between the temperature dependence of G(ɛ) and the existence of a low-energy mode in AgCuS is discussed. The text was submitted by the authors in English.     

α-Decay half-lives, α-capture cross sections, and α-nucleous interaction

The expression for the α-nuclear potential was found. This potential describes the α-decay half-lives for the ground states of nuclei and the α-particle capture cross sections for ⁴⁰Ca, ⁴⁴Ca, ⁵⁹Co, ²⁰⁸Pb, and ²⁰⁹Bi nuclei well. The potential was used to calculate the probabilities of α-transitions from the ground states of parent nuclei to different excited states of daughter nuclei. Simple analytical relations for calculating α-decay half-lives for transitions between the ground states of nuclei are determined.     

Densities and mixing volumes of mixtures of fluorobenzene, α,α,α-trifluorotoluene, tert-butylmethyl ether, and ethanol at temperature 298.15 K and pressure 0.1 MPa

The volumetric properties were evaluated from density data for the binary mixtures of (fluorobenzene + tert-butylmethyl ether), (α,α,α-trifluorotoluene + tert-butylmethyl ether), (tert-butylmethyl ether + ethanol), and the ternary mixtures of (fluorobenzene + tert-butylmethyl ether + ethanol) and (α,α,α-trifluorotoluene + tert-butylmethyl ether + ethanol). The observed densities were obtained by means of a vibrating-tube densimeter at the temperature 298.15 K and the pressure 101 kPa.The excess molar volumes of the ternary mixtures were estimated from binary solution data using several empirical equations with mean standard deviation less than 0.03 cm³·mol^-1. Stable chemical cross-associations among the molecules forming the mixtures were revealed.     

Circular Dichroism and Conformation of Bilirubin Bis N,N, N-Trimethyl α-Phenethylammonium Salts

Analysis of the bisignate circular dichroism spectra of bilirubin-IXα bis-propionate salts of (S)-(-)-N, N, N-trimethyl α-phenethylammonium hydroxide reveals a preference in CHC1₃, (CH₃)₂ CO and CH₃ CN solvents for folded conformations in which the propionate groups are intramolecularly H-bonded to the opposing pyrromethenone units.     

Third-order optical nonlinearities of α,ω-dithienylpolyenes and oligo(thienylvinylene)

α,ω-Dithienylpolyenes and oligo(thienylvinylene) are interesting third-order nonlinear optical materials for a variety of device applications. To better understand the third-order nonlinear response of these materials, the third-order susceptibilities (χ⁽³⁾) and nonlinear absorption behaviors of two α,ω-dithienylpolyenes with different conjugation length and two oligo(thienylvinylene) with different substituents on the thiophene rings have been studied using degenerate four wave mixing (DFWM) and nonlinear transmission techniques at 532 nm. The χ⁽³⁾ values of 1×10⁻³ mol/l solutions are all of the order of 10⁻¹³ esu. The χ⁽³⁾ values increase with the increase of the linear absorption coefficient. In addition, these compounds exhibit reverse saturable absorption for nanosecond laser pulses. The strength of reverse saturable absorption varies when the conjugation length and substituents change. Moreover, the nonlinear absorption characteristics of these compounds in the picosecond regime differ from those in the nanosecond regime. The different nonlinear absorption behavior is due to the relative contributions from excited singlet–singlet and triplet–triplet absorption. The strong reverse saturable absorption characteristics of two of the compounds suggest that they could be potential candidates for optical limiting applications in the nanosecond regime.     

SIA energetic and structural morphology of α-iron

In this paper, the stability of various atomic configurations containing a self-interstitial atom (SIA) in a model representing α-iron is investigated. From the energy panorama maps of the SIA located in possible non-equivalent interstitial sites, six relatively stable self-interstitial sites are found, whose structures and formation energies have been described and calculated using the modified analytical embedded atom method and molecular dynamics. The simulation results indicate that the [110] dumbbell interstitial is the energetically most favorable configuration, which is in good agreement with the experimental and ab initio results, and the distances between two displaced atoms that compose the [100], [110] and [111] direction dumbbells have been computed to be 0.68a, 0.65a and 0.29a, respectively, not all being about 0.75a apart. The relaxed displacements up to the fifth-nearest-neighbor atoms around the SIA in O interstitial position are also calculated.     

Processing and characterization of α-elastin electrospun membranes

Elastin isolated from fresh bovine ligaments was dissolved in a mixture of 1,1,1,3,3,3-Hexafluoro-2-propanol and water were electrospun into fiber membranes under different processing conditions. Fiber mats of randomly and aligned fibers were obtained with fixed and rotating ground collectors and fibrils were composed by thin ribbons whose width depends on electrospinning conditions; fibrils with 721 nm up to 2.12 μm width were achieved. After cross-linking with glutaraldehyde, α-elastin can uptake as much as 1700 % of PBS solution and a slight increase on fiber thickness was observed. The glass transition temperature of electrospun fiber mats was found to occur at ～80 °C. Moreover, α-Elastin showed to be a perfect elastomeric material, and no mechanical hysteresis was found in cycle mechanical measurements. The elastic modulus obtained for random and aligned fibers mats in a PBS solution was 330±10 kPa and 732±165 kPa, respectively. Finally, the electrospinning and cross-linking process does not inhibit MC-3T3-E1 cell adhesion. Cell culture results showed good cell adhesion and proliferation in the cross-linked elastin fiber mats.     

Synthesis and characterization of α-cobalt hydroxide nanobelts

α-Cobalt hydroxide was synthesized by a facile hydrothermal process from Co(Ac)₂ and NH₃·H₂O in the presence of 1,3-propanediol. The large-scale-prepared cobalt hydroxide has a uniform nanobelt morphology with a considerably high aspect-ratio more than 20 which may be advantageous for exploration of their physicochemical properties. This synthetic method is convenient, economical, and controllable. The samples were characterized by powder X-ray diffraction, energy dispersive spectrum, scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy, CHN element analysis, thermogravimetric and differential-thermogravimetric analysis, which revealed the compound is lamellar structural cobalt organic–inorganic hybrid with the chemical formula of Co(OH)_1.49(NH₃)_0.01(CO₃ ²⁻)_0.22(Ac⁻)_0.07(H₂O)_0.11 and single-crystalline.     

Dielectric behaviour of α-cyclodextrin,heptakis (2,3,6-tri-Omethyl)-β-cyclodextrin,randomly methylated β-cyclodextrin and low frequency Raman spectra of α- and β-cyclodextrins

The frequency and temperature dependence of the real (?′) and imaginary (?″)parts of the dielectric constant of α-cyclodrextrin (form 1; α-CD. 5.9H₂O) and α-cyclodextrin (form III; α-CD.7.6H₂O) and of the corresponding dried forms (α-CD.1.1H₂O, α-CD.2.9H₂O, respectively) has been investigated over the frequency range 0–100 k Hz and temperature range 130–350 K. In addition the dielectric behaviour has been investigated of heptakis-(2,3,6-tri-O-methyl)-β-cyclodextrin (β-CD.TRIME. 0.3H₂O) and randomly methylated β-cyclodextrin (β-CD.RAME.0.8H₂O). The dielectric behaviour is described well by Debyetype relaxation (α-disperson). All α-CD systems exhibit an additional ω-dispersion at low frequencies, which is attributed to proton transport. The fact that the ?′ values of α-CD form III are larger than those of α-CD form I is attributed to the different numbers and different strengths of the intramolecular hydrogen bonds. Form III has a stable conformation which is shown by the constant values of ?′ in the temperature range 125–250 K. By contrast, in form I the ?′ values increased linearly with temperature, indicating that the system passed through succesive conformations. The temperature dependence of ?″ and phase shift ∞ in all the specimens of α-CD (forms I, III) and fully methylated β-CD do not reveal any orderdisorder transition, because the developed hydrogen bonds ae not of the flip-flop type according to their crystal structures. The partially methylated β-CD reveals the characteristics of the order-disorder transition, which was observed before in the systems dried β-CD.2H₂O and non-dried β-CD.9.8H₂O. There is a direct relation between the hydroxyl groups of β-CD and the order-disorder transition. The order-disorder transition could also be shown in dried β-CD.2.4H₂O and non-dried β-CD.9.8H₂O samples but not in dried α-CD.1.1H₂O and non-dried a-CD.5.9H₂O samples, by low frequency Raman spectroscopy (< 180 cm^?1). The step-like temperature dependence of the band at 33.7cm^?1 reveals a transition at about 223K for both β-CD samples. In the case of α-CD samples the almost linear temperature dependence of the band at 49.1 cm^?1 does not reveal any transition.     

Model of grain-boundary self-diffusion in α- and β-phases of titanium and zirconium

A model of the grain-boundary self-diffusion process in metals undergoing phase transitions in the solid state is proposed. The model is based on the ideas and approaches of the theory of nonequilibrium grain boundaries. It is shown that the range of application of basic relations of this theory can be extended, and they can be used to calculate the parameters of grain-boundary self-diffusion in high-temperature and low-temperature phases of metals with phase transition. Based on the constructed model, activation energies of grainboundary self-diffusion in titanium and zirconium are calculated, and their anomalously low values in the low-temperature phase are explained. The calculated activation energies of grain-boundary self-diffusion are in good agreement with experimental data.     

Phase and number fluctuation of the orthonormalization eigenstates of α~k

In this paper,the phase fluctuations of the orthonormalization eigenstates ofa~k(k>3)were calculated in coherent state representation.The results show that the fluctuat-ing properties of cosine and sine operators are the same,the phase fluctuations of│ψ_j〉_k(j ≠0)are always equal to 1/2,and the phase fluctuations of │ψ_0〉_k are the increasing function of│a│~2.When │a│~2→0 and │a│~2→∞,the limit values of phase fluctuations are 1/4 and 1/2respectively.The uncertainty relation between the particle number and the phase was dis-cussed.     

Modular Invariants, Graphs and α-Induction¶for Nets of Subfactors. III

In this paper we further develop the theory of α-induction for nets of subfactors, in particular in view of the system of sectors obtained by mixing the two kinds of induction arising from the two choices of braiding. We construct a relative braiding between the irreducible subsectors of the two “chiral” induced systems, providing a proper braiding on their intersection. We also express the principal and dual principal graphs of the local subfactors in terms of the induced sector systems. This extended theory is again applied to conformal or orbifold embeddings of SU(n WZW models. A simple formula for the corresponding modular invariant matrix is established in terms of the two inductions, and we show that it holds if and only if the sets of irreducible subsectors of the two chiral induced systems intersect minimally on the set of marked vertices, i.e. on the “physical spectrum” of the embedding theory, or if and only if the canonical endomorphism sector of the conformal or orbifold inclusion subfactor is in the full induced system. We can prove either condition for all simple current extensions of SU _{( n )} and many conformal inclusions, covering in particular all type I modular invariants of SU(2) and SU(3), and we conjecture that it holds also for any other conformal inclusion of SU _{( n )} as well. As a by-product of our calculations, the dual principal graph for the conformal inclusion SU(3)₅⊂SU(6)₁ is computed for the first time. Received: 24 December 1998 / Accepted: 22 February 1999