Cubic Nonlinearity in Elastic Materials: Theoretical Prediction and Computer Modelling of New Wave Effects

Our object of interest is nonlinear interaction of waves in elastic materials. The new model of a material is proposed that takes into account the mechanism of simultaneous quadratic and cubic nonlinear deformations. Introduction of cubic nonlinearity into the model makes the general wave picture more complicated and creates new possibilities for the wave analysis. We present four possibilities for the evolution of profiles of plane harmonic waves. It is noted that quadratic and cubic nonlinearities emerge first of all in the second and third harmonics generation, respectively. Further, we discuss the results of computer modelling of the wave profile evolution. The influence of the progress of second and third harmonics on the wave profile evolution is studied separately. We study separately how second and third harmonics influence the evolution of the wave profile. We also investigate how the progress of harmonics depends on the initial frequency and amplitude. We find two distinct schemes of the evolution progress: the scheme (in) with four stages for the second harmonics and the scheme with three stages for the third harmonics. As a result the influence of both harmonics could be observed simultaneously, and such a case is demonstrated in the paper. Nevertheless this phenomenon is not necessarily present in every material which explains the absence of experimental observations of the third harmonics by this time.     

Total syntheses of anominine and tubingensin A

A divergent strategy for the total syntheses of the indole terpenoid anominine (1) and its natural congener tubingensin A (2) has been developed. The common intermediate 11 bearing all of the required stereogenic centers for both natural products was first assembled by employing a Ueno-Stork radical cyclization and a Sc(OTf)(3)-mediated Mukaiyama aldol reaction to form the key C-C bonds in a stereocontrolled manner. The route to anominine features a radical deoxygenation followed by an efficient side-chain installation, while the path to tubingensin A exploits a CuOTf-promoted 6π-electrocyclization/aromatization sequence to forge the central region of the pentacyclic scaffold.     

On Grover’s search algorithm from a quantum information geometry viewpoint

We present an information geometric characterization of Grover’s quantum search algorithm. First, we quantify the notion of quantum distinguishability between parametric density operators by means of the Wigner-Yanase quantum information metric. We then show that the quantum searching problem can be recast in an information geometric framework where Grover’s dynamics is characterized by a geodesic on the manifold of the parametric density operators of pure quantum states constructed from the continuous approximation of the parametric quantum output state in Grover’s algorithm. We also discuss possible deviations from Grover’s algorithm within this quantum information geometric setting.     

The triplex vaccine effects in mammary carcinoma: A nonlinear model in tune with SimTriplex

This paper deals with the mathematical modeling of the mammary carcinoma-immune system competition elicited by an external stimulus represented by three different protocols of the triplex vaccine [C. De Giovanni, et al., Immunoprevention of HER-2/neu transgenic mammary carcinoma through an interleukin 12-engineered allogeneic cell vaccine, Cancer Research 64 (2004) 4001-4009]. The presented model is composed of nonlinear ordinary differential equations based on parameters and cell populations. A qualitative analysis of the asymptotic behavior of the model and numerical simulations are able to depict preclinical experiments on transgenic mice in tune with the SimTriplex model [F. Pappalardo, F. Castiglione, P.L. Lollini, S. Motta, Modelling and simulation of cancer immunoprevention vaccine, Bioinformatics 21 (2005) 2891-2897]. The results are of great interest both in the applied and theoretical sciences.     

Modeling basic components of solid oxide fuel cells using density functional theory: Bulk and surface properties of CeO2

In this paper, the structural and electronic properties of CeO₂ are studied using conventional and hybrid density functional theory. A computational protocol, based on the parameter-free hybrid functional PBE0 coupled with a 4f in-valence basis set for Ce atoms based on a 28 electrons small core pseudopotential is able to reasonably reproduce both structural and electronic experimental data. Such a protocol is then applied to the modeling of true 2-D periodic CeO₂ slabs of non polar low-index surfaces. The obtained results show that the (111) surface is more stable than the (110) one (0.73 vs 0.81 J/m²), with a substantial rumbling in the outermost planes of this latter. Finally, as a first step toward reactivity at CeO₂ surfaces involved in solid oxide fuel cells, the importance of electrostatic effects in the adsorption of chemical species such as CO is presented. These results will allow for a detailed study of catalytic reactions at ceria surface.     

On Relativistic Quantum Information Properties of Entangled Wave Vectors of Massive Fermions

We study special relativistic effects on the entanglement between either spins or momenta of composite quantum systems of two spin- \frac12\frac{1}{2} massive particles, either indistinguishable or distinguishable, in inertial reference frames in relative motion. For the case of indistinguishable particles, we consider a balanced scenario where the momenta of the pair are well-defined but not maximally entangled in the rest frame while the spins of the pair are described by a one-parameter (η) family of entangled bipartite states. For the case of distinguishable particles, we consider an unbalanced scenario where the momenta of the pair are well-defined and maximally entangled in the rest frame while the spins of the pair are described by a one-parameter (ξ) family of non-maximally entangled bipartite states. In both cases, we show that neither the spin-spin (ss) nor the momentum-momentum (mm) entanglements quantified by means of Wootters’ concurrence are Lorentz invariant quantities: the total amount of entanglement regarded as the sum of these entanglements is not the same in different inertial moving frames. In particular, for any value of the entangling parameters, both ss and mm-entanglements are attenuated by Lorentz transformations and their parametric rates of change with respect to the entanglements observed in a rest frame have the same monotonic behavior. However, for indistinguishable (distinguishable) particles, the change in entanglement for the momenta is (is not) the same as the change in entanglement for spins. As a consequence, in both cases, no entanglement compensation between spin and momentum degrees of freedom occurs.     

Entropy-Driven Cutoff Phenomena

In this paper we present, in the context of Diaconis’ paradigm, a general method to detect the cutoff phenomenon. We use this method to prove cutoff in a variety of models, some already known and others not yet appeared in literature, including a non-reversible random walk on a cylindrical lattice. All the given examples clearly indicate that a drift towards the opportune quantiles of the stationary measure could be held responsible for this phenomenon. In the case of birth-and-death chains this mechanism is fairly well understood; our work is an effort to generalize this picture to more general systems, such as systems having stationary measure spread over the whole state space or systems in which the study of the cutoff may not be reduced to a one-dimensional problem. In those situations the drift may be looked for by means of a suitable partitioning of the state space into classes; using a statistical mechanics language it is then possible to set up a kind of energy-entropy competition between the weight and the size of the classes. Under the lens of this partitioning one can focus the mentioned drift and prove cutoff with relative ease.     

Closed-form Solutions in Optimal Design of Structures with Nonlinear Behavior

ABSTRACT

Optimal design problems for flexural systems with a nonlinear constitutive law are considered, in the presence of constraints on displacements. A general nonlinear holonomic moment-curvature relationship is assumed and a direct variational method is applied in order to obtain optimality criteria. Accordingly, a general method of solution is proposed and some examples are solved.