Synthesis and blending behavior of an oligoarylenevinylene. Design towards processable materials for LED applications

A bisstyrenebenzene with improved solubility can be obtained by a lateral phenyl substituent on the phenylene ring. The phenyl substituted bisstyrenebenzene (PBSB) was synthesized by Pd-catalyzed coupling of 2,5-dibromobiphenyl and styrene. PBSB exhibits blue fluorescence in solution. Blends of PBSB and polystyrene or polycarbonate are homogeneous over a wide concentration range of PBSB, based on differential scanning calorimetry (DSC) and scanning electron microscopy (SEM). The results were compared with the blending behavior of unsubstituted bisstyrenebenzene.     

Effect of silver doping on the structure and phase separation of sulfur-rich As–S glasses: Raman and SEM studies

We report on the structural details and microphase separation of the bulk glasses Ag_x·(As₃₃S₆₇)_100-x for 0x25. Glass–glass phase separation occurs over a wide range of Ag content, i.e. 4x20. An off-resonant polarized Raman spectroscopic study has been carried out to elucidate structural aspects at the short- and medium-range structural order of the glasses. Analysis of Raman spectra revealed quantitative changes of the sulfur-rich microenvironments that reduce upon adding Ag. Scanning electron microscopy combined with X-rays microanalysis have been utilized to examine the type and extent of phase separation, and to provide quantitative details on the atomic concentrations in the Ag-poor and Ag-rich phases. It has been shown that at 7 at.% Ag the Ag-rich phase percolates through the structure; this effect can be associated with an ionic-to-superionic behavior of these glasses in accordance with similar studies on the stoichiometric arsenic sulfide glass; although the phase separation observed in the present glasses is qualitatively different.     

Investigation of 1 S1/2O,1 S1/2C and 2 P3/2Ni states of argon ion implanted nickel metal

Polycristalline Ni samples were bombarded by 30 keV Ar ions with dose rates from 10¹⁶ ions/cm² to 10¹⁷ ions/cm². The investigation of the electronic states 1 S_1/2O, 1 S_1/2C and 2 P_3/2Ni was made by X-ray photoemission spectroscopy (XPS). The XPS core level spectra show features refering to different chemical compounds of oxygen and carbon with nickel. We have studied the change of this spectrum structure dependent on distance of the sample surface for various doses of implantation.     

Alternative Representations of the Correlation Energy in Density‐Functional Theory: A Kinetic‐Energy Based Adiabatic Connection

The adiabatic‐connection framework has been widely used to explore the properties of the correlation energy in density‐functional theory. The integrand in this formula may be expressed in terms of the electron–electron interactions directly, involving intrinsically two‐particle expectation values. Alternatively, it may be expressed in terms of the kinetic energy, involving only one‐particle quantities. In this work, we explore this alternative representation for the correlation energy and highlight some of its potential for the construction of new density functional approximations. The kinetic‐energy based integrand is effective in concentrating static correlation effects to the low interaction strength regime and approaches zero asymptotically, offering interesting new possibilities for modeling the correlation energy in density‐functional theory     

La3B6O13(OH): The First Acentric High-Pressure Borate Displaying Edge-Sharing BO4 Tetrahedra

La₃B₆O₁₃(OH) was obtained by a high-pressure/high-temperature experiment at 6 GPa and 1673 K. The compound crystallizes in the space group P2₁ (no. 4) with the lattice parameters a=4.785(2), b=12.880(4), c=7.433(3) Å, and β=90.36(10)°, and is built up of corner- as well as edge-sharing BO₄ tetrahedra. It represents the first acentric high-pressure borate containing these B₂O₆ entities. The compound develops borate layers of „sechser“-rings with the La³⁺ cations positioned between the layers. Single-crystal and powder X-ray diffraction, vibrational and MAS NMR spectroscopy, second-harmonic generation (SHG) and thermoanalytical measurements, as well as computational methods were used to affirm the proposed structure and the B₂O₆ entities.     

On invariance properties of an extended energy balance

Gradient plasticity theories are of utmost importance for accounting for size effects in metals, especially on the grain scale. Today, there are several methods used to derive the governing equations for the additional degrees of freedom in gradient plasticity theories. Here, the equivalence between an extended principle of virtual power and an extended energy balance is shown. The energy balance of a Boltzmann continuum is supplemented by contributions based on a scalar-valued degree of freedom. It is considered to be invariant with respect to a change of observer. This yields unambiguously the existence of a corresponding micro-stress vector, which is presumed from the outset in the context of an extended principle of virtual power. A thermodynamically consistent nonlocal evolution equation for the additional, scalar-valued degree of freedom is obtained by evaluation of the dissipation inequality in terms of the Clausius–Duhem inequality. Partitioning the nonlocal flow rule yields a partial differential equation, often referred to as micro-force balance. The approach presented is applied to derive a slip gradient crystal plasticity theory regarding single slip. Finally, the distribution of the plastic slip is exemplified with respect to a laminate material consisting of an elastic and an elastoplastic phase.