Linear sets and MRD-codes arising from a class of scattered linearized polynomials

Journal of Algebraic Combinatorics - A class of scattered linearized polynomials covering infinitely many field extensions is exhibited. More precisely, the q-polynomial over $${{\mathbb...     

Low- and high-energy solutions of nonlinear elliptic oscillatory problems

In this Note, we study the existence of low- or high-energy solutions for a class of elliptic problems containing a nonlinear term that oscillates either near the origin or at infinity. We point out the competition effect between the oscillatory nonlinearity, a polynomial growth term, and the values of a real parameter. The proofs combine related variational methods.     

High refractive index hyperbranched polyvinylsulfides for planar one‐dimensional all‐polymer photonic crystals

We report on the growth and characterization of one‐dimensional (1D) planar all‐polymer photonic crystals (PhC) with high dielectric contrast (Δn = 0.3) prepared by spin coating using hyperbranched polyvinylsulfide polymers (HB‐PVS) as high refractive index material and cellulose acetate as low refractive index material. Solution processable HB‐PVS show a near ultraviolet absorption inducing an increased refractive index in the visible‐near infrared (n = 1.68, λ = 1000 nm). HBPVS:Cellulose Acetate Distributed Bragg Reflectors show a very clear fingerprint of the photonic band gap possessing the expected polarized dispersion properties as a function of the incidence angle. Moreover, engineered microcavities tuned on the weak fluorescence spectrum of the HB‐PVS show directional fluorescence enhancement effects due to spectral redistribution of the emission oscillator strength. The combination of all these properties testifies the high optical quality of the obtained photonic structures thus indicating HB‐PVS as an interesting material for the preparation of such PhC. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016 , 54, 73–80     

Similar Structural Dynamics for the Degradation of CH3NH3PbI3 in Air and in Vacuum

We investigate the degradation path of MAPbI₃ (MA=methylammonium) films over flat TiO₂ substrates at room temperature by means of X‐ray diffraction, spectroscopic ellipsometry, X‐ray photoelectron spectroscopy, and high‐resolution transmission electron microscopy. The degradation dynamics is found to be similar in air and under vacuum conditions, which leads to the conclusion that the occurrence of intrinsic thermodynamic mechanisms is not necessarily linked to humidity. The process has an early stage, which drives the starting tetragonal lattice in the direction of a cubic atomic arrangement. This early stage is followed by a phase change towards PbI₂. We describe how this degradation product is structurally coupled with the original MAPbI₃ lattice through the orientation of its constituent PbI₆ octahedra. Our results suggest a slight octahedral rearrangement after volatilization of HI+CH₃NH₂ or MAI, with a relatively low energy cost. Our experiments also clarify why reducing the interfaces and internal defects in the perovskite lattice enhances the stability of the material.     

A sharp eigenvalue theorem for fractional elliptic equations

The invisibility graph I(X) of a set X ? R ^d is a (possibly infinite) graph whose vertices are the points of X and two vertices are connected by an edge if and only if the straight-line segment connecting the two corresponding points is not fully contained in X. We consider the following three parameters of a set X: the clique number ω(I(X)), the chromatic number χ(I(X)) and the convexity number γ(X), which is the minimum number of convex subsets of X that cover X.We settle a conjecture of Matou?ek and Valtr claiming that for every planar set X, γ(X) can be bounded in terms of χ(I(X)). As a part of the proof we show that a disc with n one-point holes near its boundary has χ(I(X)) ≥ log log(n) but ω(I(X)) = 3.We also find sets X in R⁵ with χ(X) = 2, but γ(X) arbitrarily large.     

Conjugate Direction Methods and Polarity for Quadratic Hypersurfaces

We use some results from polarity theory to recast several geometric properties of Conjugate Gradient-based methods, for the solution of nonsingular symmetric linear systems. This approach allows us to pursue three main theoretical objectives. First, we can provide a novel geometric perspective on the generation of conjugate directions, in the context of positive definite systems. Second, we can extend the above geometric perspective to treat the generation of conjugate directions for handling indefinite linear systems. Third, by exploiting the geometric insight suggested by polarity theory, we can easily study the possible degeneracy (pivot breakdown) of Conjugate Gradient-based methods on indefinite linear systems. In particular, we prove that the degeneracy of the standard Conjugate Gradient on nonsingular indefinite linear systems can occur only once in the execution of the Conjugate Gradient.     

On the additivity of block designs

We show that symmetric block designs \({\mathcal {D}}=({\mathcal {P}},{\mathcal {B}})\) can be embedded in a suitable commutative group \({\mathfrak {G}}_{\mathcal {D}}\) in such a way that the sum of the elements in each block is zero, whereas the only Steiner triple systems with this property are the point-line designs of \({\mathrm {PG}}(d,2)\) and \({\mathrm {AG}}(d,3)\). In both cases, the blocks can be characterized as the only k-subsets of \(\mathcal {P}\) whose elements sum to zero. It follows that the group of automorphisms of any such design \(\mathcal {D}\) is the group of automorphisms of \({\mathfrak {G}}_\mathcal {D}\) that leave \(\mathcal {P}\) invariant. In some special cases, the group \({\mathfrak {G}}_\mathcal {D}\) can be determined uniquely by the parameters of \(\mathcal {D}\). For instance, if \(\mathcal {D}\) is a 2-\((v,k,\lambda )\) symmetric design of prime order p not dividing k, then \({\mathfrak {G}}_\mathcal {D}\) is (essentially) isomorphic to \(({\mathbb {Z}}/p{\mathbb {Z}})^{\frac{v-1}{2}}\), and the embedding of the design in the group can be described explicitly. Moreover, in this case, the blocks of \(\mathcal {B}\) can be characterized also as the v intersections of \(\mathcal {P}\) with v suitable hyperplanes of \(({\mathbb {Z}}/p{\mathbb {Z}})^{\frac{v-1}{2}}\).     

Exploiting damped techniques for nonlinear conjugate gradient methods

In this paper we propose the use of damped techniques within Nonlinear Conjugate Gradient (NCG) methods. Damped techniques were introduced by Powell and recently reproposed by Al-Baali and till now, only applied in the framework of quasi-Newton methods. We extend their use to NCG methods in large scale unconstrained optimization, aiming at possibly improving the efficiency and the robustness of the latter methods, especially when solving difficult problems. We consider both unpreconditioned and Preconditioned NCG. In the latter case, we embed damped techniques within a class of preconditioners based on quasi-Newton updates. Our purpose is to possibly provide efficient preconditioners which approximate, in some sense, the inverse of the Hessian matrix, while still preserving information provided by the secant equation or some of its modifications. The results of an extensive numerical experience highlights that the proposed approach is quite promising.     

Overreact,an in silico lab: Automative quantum chemical microkinetic simulations for complex chemical reactions

Today's demand for precisely predicting chemical reactions from first principles requires research to go beyond Gibbs' free energy diagrams and consider other effects such as concentrations and quantum tunneling. The present work introduces overreact, a novel Python package for propagating chemical reactions over time using data from computational chemistry only. The overreact code infers all differential equations and parameters from a simple input that consists of a set of chemical equations and quantum chemistry package outputs for each chemical species. We evaluate some applications from the literature: gas-phase eclipsed-staggered isomerization of ethane, gas-phase umbrella inversion of ammonia, gas-phase degradation of methane by chlorine radical, and three solvation-phase reactions. Furthermore, we comment on a simple solvation-phase acid–base equilibrium. We show how it is possible to achieve reaction profiles and information matching experiments.