Long-term and blow-up behaviors of exponential moments in multi-dimensional affine diffusions

This paper considers multi-dimensional affine processes with continuous sample paths. By analyzing the Riccati system, which is associated with affine processes via the transform formula, we fully characterize the regions of exponents in which exponential moments of a given process do not explode at any time or explode at a given time. In these two cases, we also compute the long-term growth rate and the explosion rate for exponential moments. These results provide a handle to study implied volatility asymptotics in models where log-returns of stock prices are described by affine processes whose exponential moments do not have an explicit formula.     

Au nanoparticle decorated silicate network for the amperometric sensing of isoniazid

Au nanoparticle (nAu) based electrochemical platform for the amperometric sensing of isoniazid at sub-nanomolar level is developed. The sol-gel derived 3-dimensional silicate network pre-assembled on a conducting substrate is chemically decorated with nAu of 70-100 nm by seed-mediated growth approach. The Au nanoseeds are first chemisorbed onto the thiol functional groups of the silicate network and their size was enlarged by hydroxylamine seeding. The nanoparticles efficiently catalyze the oxidation of isoniazid at less positive potential. Large decrease in the overpotential and significant enhancement in the anodic peak current with respect to the polycrystalline Au electrode are observed. The nanoparticle based platform is highly sensitive (4.03 ± 0.01 nA/nM) and it linearly responds to isoniazid up to the concentration of 1 mM. It could detect as low as 0.1 nM (S/N = 5) of isoniazid at the potential of 10 mV in aqueous solution without any redox mediator. The catalytic response of the sensing platform depends on the amount of nanoparticles loaded onto the silicate network. Very interestingly, the sensing platform could simultaneously detect isoniazid and hydrazine in their coexistence without compromising the sensitivity. Well separated individual voltammetric response is obtained for both analytes. The sensing platform is highly stable and it can be repeatedly used for 7 days.     

Mean field modeling of isotropic random Cauchy elasticity versus microstretch elasticity

We show that the averaged response of random isotropic Cauchy elastic material can be described analytically. It leads to a higher gradient model with explicit expressions for the dependence on the second derivatives of the mean field. A subsequent penalty formulation coincides with a linear elastic micro-stretch model with specific choice of constitutive parameters, depending only on the average cut-off length (the internal characteristic length scale L_c > 0). Thus the microstretch displacement field can be interpreted as an approximated mean field response for these parameter ranges. The mean field free energy in this micro-stretch formulation is not uniformly pointwise positive, nevertheless, the model is well posed.      

Measurement of fission anisotropy for 16O+181Ta

Anisotropies in fission fragment angular distributions measured for the system ¹⁶O + ¹⁸¹Ta over a range of bombarding energies from 83 MeV to 120 MeV have been analysed. It is shown that statistical transition state model (TSM) with pre-scission neutron correction described adequately the measured anisotropy data. Strong friction parameter is found to be necessary to estimate the pre-saddle to pre-scission neutron ratio.     

Electronic structure and properties of transition metal-benzene complexes.

A comprehensive theoretical study of the geometries, energetics, and electronic structure of neutral and charged 3d transition metal atoms (M) interacting with benzene molecules (Bz) is carried out using density functional theory and generalized gradient approximation for the exchange-correlation potential. The variation of the metal-benzene distances, dissociation energies, ionization potentials, electron affinities, and spin multiplicities across the 3d series in MBz complexes differs qualitatively from those in M(Bz)(2). For example, the stability of Cr(Bz)(2) is enhanced over that of CrBz by almost a factor of 30. On the other hand, the magnetic moment of Cr(Bz)(2) is completely quenched although CrBz has the highest magnetic moment, namely 6 mu(B), in the 3d metal-benzene series. In multidecker complexes involving V(2)(Bz)(3) and Fe(2)(Bz)(3), the metal atoms are found to couple antiferromagnetically. In addition, their dissociation energies and ionization potentials are reduced from those in corresponding M(Bz)(2) complexes. All of these results agree well with available experimental data and demonstrate the important role the organic support can play on the properties of metal atoms/clusters.     

ChemInform Abstract: Origin of the Unusual Stability of B12 and B13+ Clusters.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: Equilibrium Geometry,Stability, and Magnetic Properties of Small MnO Clusters

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: Superhalogens as Building Blocks of Halogen-Free Electrolytes in Lithium-Ion Batteries.

In the search for halogen-free electrolytes, the electronic structure of current electrolytes is studied via DFT-based first-principles calculations of the ground state geometries and total energies of anionic BF₄^-, PF₆^-, AsF₆^-, FePO₄^-, ClO₄^-, N(SO₂F)₂^-, and N(SO₂F₃)₂^-.