Electronegativities in the calculation of diatomic molecular parameters (Hydrides of some transition elements)

The force constants for diatomic molecules and isolated bonds may be expressed by using equalized electro-negativities, bond orders, bond strengths and interatomicdistances. We have studied Mn¹H, Mn²H, Co²H, Ni¹H, Ni²H, Cu¹H, Cu²H, Ag¹H, and Ag²H and have determined the proportionality constant d, as well as the Lennard-Jones parameters a and b, for the potential energy functions used by Szöke and calculated the anharmonicity ω_eξ_e and the rotational-vibrational coupling constant α_e. The relation between electronegativity and ionization potential has been verified and the variations of molecular parameters with atomic number Z have been studied.     

On Totally Ordered Rings Whose Positive Cones are Finitely Generated

This paper is mainly dealt with the structure of totally ordered rings (t.o. rings) whose positive cones are finitely generated as multiplicative right ideals.AMS Subject Classification (1991): 16W80, 13J25     

Preparation and electrical characterization of (PVC + KBrO3) polymer electrolytes for solid state battery applications

This paper presents results of studies on dc electrical conductivity and transference number measurements on potassium bromate (KBrO₃) complexed polyvinyl chloride (PVC) films prepared by solution cast technique. Temperature dependence of dc electrical conductivity and transference number data indicated the dominance of ion type charge transport in these specimens. The magnitude of conductivity increased with increase in concentration of the salt and temperature. Using this (PVC + KBrO₃) electrolyte, solid-state electrochemical cells were fabricated, and their discharge profiles were studied under a constant load of 100 kΩ. Several cell profiles such as open circuit voltage, short circuit current, power density, and energy density associated with these cells were evaluated and were reported. The features of complexation of the electrolytes were studied by X-ray diffraction and Fourier transform infrared spectroscopy. Paper presented at the Third International Conference on Ionic Devices (ICID 2006), Chennai, Tamilnadu, India, Dec. 7–9, 2006     

Magnetic-field-induced valence transition in rare-earth systems

The magnetic-field-induced valence transition in rare-earth systems has been investigated using the periodic Anderson model supplemented by the Falicov-Kimball term. This model has been solved by first decoupling the Falicov-Kimball term as proposed by Khomskii and Koharjan and then taking the limit of infinite intra-site Coulomb repulsion. The valence transition both in the absence and in the presence of magnetic field as a function of temperature is studied. It has been found that the system makes transition from non-magnetic to magnetic state when the magnetic field increases beyond a critical value H _c. The phase boundary defined in terms of reduced field H _c(T)/H _c(0) and reduced temperature T/T _v (T _v being the valence transition temperature in the absence of field) is almost independent of the position of the localized level. The results are in qualitative agreement with experimental observations in Yb- and Eu-compounds.     

The dynamic analysis of circular plates and shallow spherical shells

In the investigation reported here an attempt has been made to study the influence of Berger's approximation on the non-linear transient response of circular plates and shallow spherical shells. The governing equations of motion obtained from Berger's approximation are solved by using the rapidly converging Chebyshev series spacewise and the Houbolt scheme for integration in the time domain. Results calculated when using Berger's approximation are compared with exact results. It is shown that Berger's method yields very accurate values for plates and shells under transient loading, in the case of immovable edge conditions.     

Gold‐Nanoparticle‐Decorated Boron Nitride Nanosheets: Structure and Optical Properties

Synergetic cooperation of individual components of the nanocomposites (NCs) is responsible for their novel properties that lead to various technological applications. A simple chemical process depicting the deposition of functionalized gold nanoparticles on the surface of boron nitride nanosheets (BNNSs) in solution is reported. The structure, chemical composition, and optical properties of nanosheets are systematically studied. The deposition of Au nanoparticles on BNNS (BNNS_Au) results in plasmonic band modulation, thus altering the optoelectronic properties of BNNSs. The intense surface plasmon absorption band of BNNS_Au is narrowed and red‐shifted relative to the absorption band of as synthesized monometallic BNNSs. The observations reflect the strong interfacial interaction between BNNS and Au nanoparticles. This approach constitutes a basis for a simple process leading to the preparation of functionalized BNNSs and their utilization as nanoscale templates for assembly and integration with other nanoscale materials for futuristic optoelectronic devices.     

Properties of Graphene/Waterborne Polyurethane Nanocomposites Cast from Colloidal Dispersion Mixtures

Nanocomposites of waterborne polyurethane (WPU) reinforced with functionalized graphene sheets (FGSs) were effectively prepared by casting from a colloidal dispersion of FGS and WPU, and the morphology and physical properties were examined. The finer aqueous FGS dispersions or WPU with smaller particles yielded nanocomposites with enhanced electrical conductivity and thermal resistance due to finely dispersed FGS. The FGS nucleated the crystallization of the polycaprolactone (PCL) segments in WPU and improved its modulus. However, FGS inhibited crystal growth and deteriorated the tensile properties at high deformation, i.e., tensile strength and elongation at break, because the interaction between FGS and WPU hindered the chain rearrangement of WPU in the nanocomposite.     

Optical Analysis of Er3+:Boro-Fluoro-Phosphate Glasses

This paper deals with the preparation and optical analysis of Er³⁺ (0.2 mol%) boro-fluoro-phosphate glasses in the following glass compositions:

• Series A: 69.8 B₂O₃–10 P₂O₅–10(ZnO/CdO/TeO₂)–10 AlF₃

• Series B: 69.8 B₂O₃–10 P₂O₅–10(ZnO/CdO/TeO₂)–10 LiF

Measured Vis-NIR absorption spectra of Er³⁺:boro-fluoro-phosphate glasses have revealed nine absorption bands at 377 nm, 405 nm, 450 nm, 486 nm, 519 nm, 543 nm, 649 nm, 973 nm and 1529 nm, which correspond with the transitions of ⁴I_15/2 → ⁴G_11/2, (²G_9/2,⁴H_9/2), ⁴F_5/2, ⁴F_7/2, ²H_11/2, ⁴S_3/2, ⁴F_9/2, ⁴I_11/2, and ⁴I_13/2, respectively. With an excitation at λ _exci = 375 nm, a bright green emission (⁴S_3/2 → ⁴I_15/2) at 547 nm has been observed from these erbium glasses. Judd–Ofelt characteristic intensity Ω_λ (λ = 2, 4, 6) parameters are obtained from the absorption spectra, and these results were used to compute the radiative properties of Er³⁺:boro-fluoro-phosphate glasses. The NIR emission (⁴I_13/2 → ⁴I_15/2) at 1547 nm from these glasses was measured with an Ar⁺ laser (514.5 nm) as an excitation source.     

Electron Spin Resonance study of gamma irradiated MA-AMPS copolymer

Electron Spin Resonance (ESR) spectra of gamma irradiated methylacrylamide-2-acrylamido-2-methyl-propanesulphonic acid (MA-AMPS) are recorded to identify the radical species formed during the irradiation of the copolymer. The ESR spectrum observed for irradiated MA-AMPS copolymer at liquid nitrogen temperature (LNT) (77 r K) is an asymmetric triplet; while the spectrum observed at room temperature (RT) is a quintet. The intensity distribution of both the spectra deviated appreciably from the expected theoretical values. Computer simulations are employed to analyze the ESR spectra observed at different temperatures. The triplet spectrum observed at LNT is simulated to be a superposition of component spectra arising from macroradicals of the type～CH 2 - \dot {\rm C} H-CH 2 ～ (I), radicals of the type \dot {\rm C} H 2 SO 3 H (II), and peroxy radicals (III). In contrast, the RT spectrum is simulated to be a superposition of component spectra arising due to radicals I, II, III together with the component quartet assigned to methyl radicals ( \dot {\rm C} H 3 ). The formation of such free radicals in irradiated copolymer is discussed.     

The effect of the location of stage-I fatigue crack across the persistent slip band on its growth rate – A 3D dislocation dynamics study

Abstract

A 3D dislocation dynamics study to ascertain the probable path of stage-I fatigue crack propagation across the persistent slip band (PSB) in austenitic stainless steel is presented. Cyclic plasticity and the resulting crack tip slip displacement (CTSD) are evaluated for cracks of varying length introduced at PSB-center and at two PSB-matrix interfaces. CTSD attains high value at either of the two interfaces irrespective of the proximity of crack front to the grain boundary. Further, a difference in microcrack propagation rate is also observed among the two interfaces. The present results assert microcrack propagation preferrentially along one of the two PSB-matrix interfaces rather than at the PSB-center. A pre-existing PSB dislocation structure localises the cyclic slip for crack lengths up to approximately half of the grain depth for an applied strain range of 2 × 10^?4.