Mössbauer study of the magnetocaloric compound AlFe<Subscript>2</Subscript><Emphasis Type="Bold">B</Emphasis><Subscript>2</Subscript>

Mössbauer spectroscopy in the ferromagnetic AlFe₂ B ₂ reveals T_c=299 K and shows good agreement with magnetic measurements. The crystals are plate-shaped. The flakes are found from X-ray diffraction to be in the crystallographic ac-plane in the orthorhombic system. The axes of the principle electric field gradient tensor are, by symmetry, colinear with the crystal a-, b- and c-axes. By using information about the quadrupole splitting and line asymmetry in the paramagnetic regime together with the quadrupole shift of the resonance lines in the ferromagnetic regime the magnetic hyperfine field direction is found to be in the ab-plane having an angle =40^° to the b-axis.     

Molecular dynamic studies of the solubility of sodium chloride: fast calculations using seed crystalline cluster probe

Theoretical predictions of solubility, typically accomplished by comparing the chemical potential of pure solid and solution, currently suffer from a lack of accuracy. We suggest an alternative method for predicting solubility based on molecular dynamics simulations of the behaviour of a small seed crystalline cluster probe in solutions of varying concentrations. The size dynamics of a properly chosen seed cluster that dissolves in unsaturated solutions and grows in size in supersaturated solutions is indicative of the saturation point. This approach is illustrated by its application to NaCl in water.     

Level and Center Frequency of the Singer''s Formant

The "singer's formant" is a prominent spectrum envelope peak near 3 kHz, typically found in voiced sounds produced by classical operatic singers. According to previous research, it is mainly a resonatory phenomenon produced by a clustering of formants 3, 4, and 5. Its level relative to the first formant peak varies depending on vowel, vocal loudness, and other factors. Its dependence on vowel formant frequencies is examined. Applying the acoustic theory of voice production, the level difference between the first and third formant is calulated for some standard vowels. The difference between observed and calculated levels is determined for various voices. It is found to vary considerably more between vowels sung by professional singers than by untrained voices. The center frequency of the singer's formant as determined from long-term spectrum analysis of commercial recordings is found to increase slightly with the pitch range of the voice classification.     

Experimental and four‐component relativistic DFT studies of tungsten carbonyl complexes

We present a theoretical and experimental study of the structure and nuclear magnetic resonance (NMR) parameters of the pentacarbonyltungsten complexes of η¹‐2‐(trimethylstannyl)‐4,5‐dimethylphosphinine, η²‐norbornene, and imidazolidine‐2‐thione. The three complexes have a pseudo‐octahedral molecular structure with the six ligands bonded to the tungsten atom. The η¹‐2‐(trimethylstannyl)‐4,5‐dimethylphosphinine‐pentacarbonyl tungsten complex was synthesized for the first time. For all compounds, we present four‐component relativistic calculations of the NMR parameters at the Dirac–Kohn–Sham density functional level of theory using hybrid functionals. These large‐scale relativistic calculations of NMR chemical shifts and spin–spin coupling constants were compared with available experimental data, either taken from the literature or measured in this work. The inclusion of solvent effects modeled using a conductor‐like screening model was found to improve agreement between the calculated and experimental NMR parameters, and our best estimates for the NMR parameters are generally in good agreement with available experimental results. The present work demonstrates that four‐component relativistic theory has reached a level of maturity that makes it a convenient and accurate tool for modeling and understanding chemical shifts and indirect spin–spin coupling constants of organometallic compounds containing heavy elements, for which conventional non‐relativistic theory breaks down. Copyright © 2015 John Wiley & Sons, Ltd.     

Solutions of the WDVV Equations and Integrable Hierarchies of KP Type

We show that reductions of KP hierarchies related to the loop algebra of SL_n with homogeneous gradation give solutions of the Darboux-Egoroff system of PDE's. Using explicit dressing matrices of the Riemann-Hilbert problem generalized to include a set of commuting additional symmetries, we construct solutions of the Witten– Dijkgraaf–E. Verlinde–H. Verlinde equations.     

Pulsed EPR spectrometer with injection-locked UCSB free-electron laser

We describe the first free-electron laser (FEL)-based pulsed electron paramagnetic resonance (EPR) system designed to study spin dynamics and structure changes of proteins in aqueous solution with nano-second of time resolution. This novel approach opens up the possibility for high-power sub-THz and THz pulsed EPR spectroscopy.     

Effects of MnO<Subscript>2</Subscript> nano-particles on the conductivity of PMMA-PEO-LiClO<Subscript>4</Subscript>-EC polymer electrolytes

Li-ion rechargeable batteries based on polymer electrolytes are of great interest for solid state electrochemical devices nowadays. Many studies have been carried out to improve the ionic conductivity of polymer electrolytes, which include polymer blending, incorporating plasticizers and filler additives in the electrolyte systems. This paper describes the effects of incorporating nano-sized MnO₂ filler on the ionic conductivity enhancement of a plasticized polymer blend PMMA–PEO–LiClO₄–EC electrolyte system. The maximum conductivity achieved is within the range of 10⁻³ S cm⁻¹ by optimizing the composition of the polymers, salts, plasticizer, and filler. The temperature dependence of the polymer conductivity obeys the VTF relationship. DSC and XRD studies are carried out to clarify the complex formation between the polymers, salts, and plasticizer.     

Biased bilayer graphene: semiconductor with a gap tunable by the electric field effect

We demonstrate that the electronic gap of a graphene bilayer can be controlled externally by applying a gate bias. From the magnetotransport data (Shubnikov-de Haas measurements of the cyclotron mass), and using a tight-binding model, we extract the value of the gap as a function of the electronic density. We show that the gap can be changed from zero to midinfrared energies by using fields of less, approximately < 1 V/nm, below the electric breakdown of SiO2. The opening of a gap is clearly seen in the quantum Hall regime.     

Depth-profiling the composition of bimetallic nanoparticles using medium energy ion scattering

The near monolayer depth resolution of medium energy ion scattering is utilized to develop a probe of the depth dependent composition of bimetallic nanoparticles supported on planar oxide supports. The approach fits spectra of scattered ion intensity versus ion energy at well-defined scattering angles taking into account the asymmetric line shape in such spectra and also the depth dependent loss processes encountered by incident ions as they pass through the bimetallic particles.     

Splitting of a Cooper pair by a pair of Majorana bound states

We propose a method to probe the nonlocality of a pair of Majorana bound states by crossed Andreev reflection, which is the injection of an electron into one bound state followed by the emission of a hole by the other (equivalent to the splitting of a Cooper pair). We find that, at sufficiently low excitation energies, this nonlocal scattering process dominates over local Andreev reflection involving a single bound state. As a consequence, the low-temperature and low-frequency fluctuations deltaI(i) of currents into the two bound states i=1, 2 are maximally correlated: deltaI_1deltaI_2[over ]=deltaI_i(2).[over ].