Anisotropic properties of TaS2

The anisotropic properties of 1T- and 2H-TaS2 axe investigated by the density functional theory within the framework of full-potential linearized augmented plane wave method. The band structures of 1T- and 2H-TaS2 exhibit anisotropic properties and the calculated electronic specific-heat coefficient γ of 2H-TaS2 accords well with the existing experimental value. The anisotropic frequency-dependent dielectric functions including the effect of the Drude term are analysed, where the ε^xx（ω） spectra corresponding to the electric field E perpendicular to the z axis show excellent agreement with the measured results except for the ε1^xx（ω） of 1T-TaS2 below the energy level of 2.6 eV which is due to the lack of the enough CDW information for reference in our calculation. Furthermore, based on the values of optical effective mass ratio P of 1T and 2H phases it is found that the anisotropy in 2H-TaS2 is stronger than that in 1T-TaS2.     

Superconductivity of the Bi–Sn Eutectic Alloy

Physics of the Solid State - We report on the results of investigations of superconductivity in the Bi–Sn binary alloy with a eutectic concentration of 57 wt % of Bi and 43 wt % of Sn. The...     

Superconductivity of Y–Ba–Cu–O and substituted systems

Superconductivity of Y-Ba-Cu-O system is studied in the composition 2:2:3 and 1:2:3 of Y:Ba:Cu. The effect of replacement of Y or Ba by divalent Sr and Ca, trivalent Ce and tetravalent Zr is studied. X-ray diffraction, SEM and TEM techniques are used for materials characterization. Superconducting transition temperatures are measured resistively. Rapid resistance drop observed above 230 K in Y-Ba-Sr-Cu-O and Y-Ba-Ca-Cu-O systems indicate the possible existence of superconductivity above 230 K. Substitution of Ce in place of Y is found to reduce the onset Tc from 95 K to 80 K. For the first time, replacement of Cu by Zr in Y-Ba-Cu-O has yielded the onset Tc of about 105 K.     

Superconductivity in amorphous thin films of tin–copper

The properties of the superconducting state in the amorphous Sn_1?xCu_x thin films were characterized. The concentration of copper changes in the range from 0.08 to 0.41. The calculations were conducted in the framework of the strong-coupling formalism, wherein the Eliashberg functions determined in the tunnel experiment were used. The value of the Coulomb pseudopotential equal to 0.1 was adopted. It will be shown that the critical temperature (T_C) decreases from 7 to 3.9 K. The ratio, R_Δ = 2Δ(0)/k_BT_C, differs from the BCS value: R_Δ ∈ <4.4, 3.95>, where Δ(0) represents the order parameter. Similarly behave the ratios: R_C = ΔC(T_C)/C^N(T_C) ∈ <2.2, 1.75> and R_H = T_CC^N(T_C)/H²_C(0) ∈ <0.141, 0.154>. The parameter ΔC(T_C) is the specific heat jump, C^N(T_C) denotes the specific heat of the normal state and H_C(0) is the thermodynamic critical field.     

Fingerprints of Mott Superconductivity

We improve a previous theory of doped Mort insulators with duality between pairing and magnetism by a further duality transform. As the result we obtained a quantum Ginzburg-Landau theory describing the Cooper pair condensate and the dual of spin condensate. We address the superconductivity by doping a Mort insulator,which we call the Mort superconductivity. Some fingerprints of such novelty in cuprates are the scaling between neutron resonance energy and superfluid density, and the induced quantized spin moment by vortices or Zn impurity (together with circulating charge super-current to be checked by experiments).     

Transport properties of H–N2 mixtures

Transport coefficients (shear viscosity, volume viscosity, thermal conductivity, and mass and thermal diffusion coefficients) of H–N₂ mixtures in the dilute-gas limit have been calculated from the intermolecular potential in the temperature range 300–2000K using the classical trajectory method. The intermediate results pertaining to H–N₂ binary interactions are reported, mainly in terms of cross-section ratios. Cross-sections evaluated with the Mason–Monchick approximation yield very good results for this system, the largest deviations, about 2.5%, being observed for the thermal diffusion coefficient. The accuracy here of this approximation can primarily be attributed to a light H atom and a weakly non-spherical potential resulting in a high rotational collision number. Furthermore, we investigate to which H–N₂ cross-sections and their ratios the values of the mixture transport coefficients are most sensitive. Our results indicate that, for some cross-section ratios, reliance on universal correlations at high temperatures, often used in flame codes, can induce sizeable errors in the thermal conductivity coefficient and especially in the thermal diffusion coefficients. We also observed that the volume viscosity is particularly sensitive to the value of the cross-section for internal energy relaxation in H–N₂ collisions.     

Detailed modeling of planar transcritical H2–O2–N2 flames

We first investigate a detailed high pressure flame model. Our model is based on the thermodynamics of irreversible processes, statistical mechanics, statistical thermodynamics, and the kinetic theory of dense gases. We study thermodynamic properties, chemical production rates, transport fluxes, and establish that entropy production is non-negative. We next investigate the structure of planar transcritical H₂–O₂–N₂ flames and perform a sensitivity analysis with respect to the model. Non-idealities in the equation of state and in the transport fluxes have a dramatic influence on the cold zone of the flame. Non-idealities in the chemical production rates – consistent with thermodynamics and important to insure positivity of entropy production – may also strongly influence flame structures at very high pressures. At sufficiently low temperatures, fresh mixtures of H₂–O₂–N₂ flames are found to be thermodynamically unstable, in agreement with experimental results. We finally study the influence of various parameters associated with the initial reactants on the structure of transcritical planar H₂–O₂–N₂ flames as well as lean and rich extinction limits.     

Superconductivity of the FeSe/SrTiO_3 Interface in View of BCS–BEC Crossover

In paired Fermi systems,strong many-body effects exhibit in the crossover regime between the Bardeen-CooperSchrieffer(BCS)and the Bose-Einstein condensation(BEC)limits.The concept of the BCS-BEC crossover,which is studied intensively in the research field of cold atoms,has been extended to condensed matters.Here by anal.yzing the typical superconductors within the BCS-BEC phase diagram,we find that FeSe-based superconductors are prone to shift their positions in the BCS-BEC crossover regime by charge doping or substrate substitution,since their Fermi energies and the superconducting gap sizes are comparable.Especiall.y at the interface of single-layer FeSe on SrTiO_3 substrate,the superconductivity is relocated closer to the crossover unitary than other doped FeSe-based materials,indicating that the pairing interaction is effectively modulated.We further show that hole-doping can drive the interfacial system into the phase with possible pre-paired electrons,demonstrating its flexible tunability within the BCS-BEC crossover regime.     

Accurate ground-state potential energy surfaces of the C2H2–Kr and C2H2–Xe van der Waals complexes

Accurate ab initio intermolecular potential energy surfaces (IPES) have been obtained for the first time for the ground electronic state of the C₂H₂–Kr and C₂H₂–Xe van der Waals complexes. Extensive tests, including complete basis set and all-electron scalar relativistic results, support their calculation at the CCSD(T) level of theory, using small-core relativistic pseudopotentials for the rare-gas atoms and aug-cc-pVQZ basis sets extended with a set of 3s3p2d1f1g mid-bond functions. All results are corrected for the basis set superposition error. The importance of the scalar relativistic and rare-gas outer-core (n–1)d correlation effects is investigated. The calculated IPES, adjusted to analytical functions, are characterized by global minima corresponding to skew T-shaped geometries, in which the Jacobi vector positioning the rare-gas atom with respect to the center of mass of the C₂H₂ moiety corresponds to distances of 4.064 and 4.229?Å, and angles of 65.22° and 68.67° for C₂H₂–Kr and C₂H₂–Xe, respectively. The interaction energy of both complexes is estimated to be ?151.88 (1.817?kJ?mol^?1) and ?182.76?cm^?1 (2.186?kJ?mol^?1), respectively. The evolution of the topology of the IPES as a function of the rare-gas atom, from He to Xe, is also discussed.     

Superconductivity of the platinum doped 122 iron arsenide SrFe2−xPtxAs2

Pt doped 122 iron arsenide SrFe_1?xPt_xAs₂ (0 ? x ? 0.4) was successfully synthesized. The tetragonal unit-cell volume and the lattice constant a increase with increasing the Pt content, while c decreases, suggesting that the Fe ions are indeed replaced by Pt ions. By the Pt doping, the magnetic order of the parent phase is suppressed, and superconductivity emerges at approximately x = 0.15. T_c reaches the maximum of 16 K at x = 0.2. The compounds series can be a suitable subject to investigate role of the doped 5d state in the superconducting 3d Fe–As layer.     

Theoretical and experimental analysis of N2–H2 stimulated Raman spectra

The paper reports on a detailed study of the N₂–H₂ collisional line broadening coefficient. High resolution stimulated Raman spectra of nitrogen–hydrogen mixtures have been recorded at liquid nitrogen and room temperatures. Corresponding linewidth calculations have been performed at temperatures between 77 and 500?K using the semiclassical Robert and Bonamy model for J rotational quantum numbers varying between 0 and 11. Comparison between experimental data and calculated results shows good agreement at room temperature using an adjusted value for the kinetic diameter.     

Superconductivity in the metallic–oxidized sodium interface

Superconductivity at 20–34 K in the interface formed by metallic and oxidized sodium has been observed by ac magnetic susceptibility measurements. By means of X-ray diffraction measurements, it has been found that the oxidized sodium layer consists of a mixture of Na₂O, Na₂O₂, NaO₂ and NaO₃ compounds.     

Numerical simulation of premixed H2–air cellular tubular flames

The detailed flame structure of laminar premixed cellular flames in the tubular domain is simulated in 2D using a fully-implicit primitive variable finite difference formulation that includes multicomponent transport and detailed chemical kinetics. Numerical results for H₂/air flames are presented and compared against spatially resolved experimental measurements of temperature and chemical species including atomic H and OH. The experimental results compare well for flame structure and cell number, despite the numerical model under-predicting the peak temperature by 200 K. Numerical experiments were performed to assess the ability for cellular tubular flames to impact experimental and numerical investigations of practical flames. The cellular flame structure is found to provide a highly sensitive geometry that is useful for validating diffusive transport modelling approximations. This capability is exemplified through the development of a simple and accurate approximation for thermal diffusion (i.e. the Soret effect) that is suitable for practical combustion codes.     

Superconductivity in the metallic–oxidized copper interface

A strong indication of superconductivity at 20–90 K in the interface formed by metallic and oxidized copper has been revealed by ac magnetic susceptibility measurements. By means of X-ray diffraction measurements, it has been found that the oxidized copper consists of a mixture of Cu₂O and CuO compounds.     

Superconductivity in the metallic–oxidized magnesium interface

Metastable superconductivity at 39–54 K in the interfaces formed by metallic and oxidized magnesium (MgO) has been observed by ac magnetic susceptibility measurements. The superconducting interfaces have been produced by the surface oxidation of metallic magnesium under special conditions.     

Acoustic emission measurement of foam evolution in H2O–C2H5OH–air systems with content of detergent triton X-100

The acoustic emission (AE) of short-lived static foams from non-ionic detergent Triton X-100 in ethanol–water solutions has been investigated. The AE of the foam drainage process has shown two different stages of behaviour. The first step (up to 80 s) was without the appearance of AE signals. During this stage, bubble rearrangement has been observed. The next, main stage of drainage process proceeded with a high intensity AE generation. The results suggest that the AE technique gives the direct possibility of foam stability measurement.     

Superconductivity,magnetism and crystal chemistry of Ba1−xKxFe2As2

BaFe₂As₂ is the parent compound of the ‘122’ iron arsenide superconductors and crystallizes with the tetragonal ThCr₂Si₂-type structure, space group I4/mmm. A spin-density-wave transition at 140 K is accompanied by a symmetry reduction to space group Fmmm and simultaneously by antiferromagnetic ordering. Hole-doping induces superconductivity in Ba_1?xK_xFe₂As₂ with a maximum T_c of 38 K at x ≈ 0.4. The upper critical fields approach 75 T with rather small anisotropy of H_c2. At low potassium concentrations (x ? 0.2), superconductivity apparently co-exists with the orthorhombically distorted and magnetically ordered phase. At doping levels x ? 0.3, the structural distortion and antiferromagnetic ordering is completely suppressed and the T_c is maximized. No magnetically ordered domains could be detected in optimally doped Ba_1?xK_xFe₂As₂ (x ? 0.3) by ⁵⁷Fe Mössbauer spectroscopy in contrast μSR results obtained with single crystals. The magnetic hyperfine interactions investigated by ⁵⁷Fe Mössbauer spectroscopy are discussed and compared to the ZrCuSiAs-type materials.     

Superconductivity and x—ray photoemission study of MgB2 thin films

Highly c-axis oriented MgB2 thin films with Tc^onset of 39.6K were fabricated by magnesium diffusing into pulsedlaser-deposited boron precursors.The estimation of critical current density Jc,using hysteresis loops and the Bean model,has given the value of 10^7A/cm^2(15K,0T),which is one of the highest values ever reported.The x-ray photoemission study of the MgB2 thin films has revealed that the binding energies of Mg 2p and B 1s are at 49.4eV and 186.9eV,which are close to those of metallic Mg and transition-metal diborides,respectively.     

Experimental study of detonation in a cryogenic two-phase H2–O2 flow

Direct initiation and propagation of detonation through a cryogenic two-phase flow constituted by liquid oxygen droplets in gaseous hydrogen at 100 K are experimentally investigated. The influence of droplet size distribution is characterized in a cryogenic gaseous helium and liquid oxygen two-phase flow. Droplet sizing and detonation experiments are conducted by varying different parameters: distance from the injector, helium and hydrogen mass flow rates, global equivalence ratio and addition of gaseous nitrogen. Droplet size distributions reveal quick vaporization of the smallest droplets of the cryogenic jet. Results in terms of wave velocity, pressure, and detonation cells show that a detonation wave can be directly initiated, with a propagation wave velocity of 20% higher than the Chapman–Jouguet value. Cell size measurements show that the mixture sensitivity is not affected by the presence of droplets. Addition of gaseous nitrogen reduces only slightly the peak pressure, but the detonation velocity is reduced by about 30%.     

Electronic Structural Properties and Superconductivity of Diborides in the MgB2 Structure

We calculate the critical temperature Tc of a wide range of diborides which have the same crystal structure as MgB2.Their electronic structure is also calculated in the framework of the local density approximation method of density functional theory be using the pseudopotential plane wave approach.The Hopfield factors η of these materials are calculated by the frozen phonon method.Our results show that most of these diborides have low η,and hence low or no Tc;this is consistent with experimental observations.The most important result of our calculation is that AgB2 and AuB2 have higher Tc than MgB2.The high Tc of these two materials comes from the combination of the high density of states and high deformation potential of the σ bands.