Large scale dissipation and filament instability in two-dimensional turbulence

Coherent vortices in two-dimensional turbulence induce far-field effects that stabilize vorticity filaments and inhibit the generation of new vortices. We show that the large-scale energy sink often included in numerical simulations of statistically stationary two-dimensional turbulence reduces the stabilizing role of the vortices, leading to filament instability and to continuous formation of new coherent vortices. This counterintuitive effect sheds new light on the mechanisms responsible for vortex formation in forced-dissipated two-dimensional turbulence, and it has significant impact on the temporal evolution of the vortex population in freely decaying turbulence. The time dependence of vortex statistics in the presence of a large-scale energy sink can be approximately described by a modified version of the scaling theory developed for small-scale dissipation.     

Effect of chemical nature of atoms on the electronic,dielectric, and dynamical properties of ABX3 halide perovskite

First-principles calculations within density functional theory were performed on a series of halide perovskite compounds ABX₃(A: Cs or Rb; B:Pb or Sn). Their electronic structure, lattice dynamics, and dielectric properties were studied in relationship with the change in atom species at each one of the three inequivalent crystallographic sites, to explain the origin of these properties. Thus, the variation of the bandgap with the overlap between the B cation lone pair and the electronic states of halide atoms, as well as with the distortion of the BX₆ octahedra network is discussed. It is shown that the vibrational modes, phonon frequencies, atomic displacements, and the possible ferroelectric instability in these compounds are dependent on masses of atoms, volume of AX₁₂ polyhedron, as well as on streoactivity of Pb lone pair. Also, the Born effective charges, dielectric constant, spontaneous polarization, and infrared spectra are calculated. The relation between these dielectric properties and the ions dynamics is discussed.     

Fixed versus flexible production systems: A real options analysis

In this work, we address investment decisions in production systems by using real options. As is standard in literature, the stochastic variable is assumed to be normally distributed and then approximated by a binomial distribution, resulting in a binomial lattice. The methodology establishes a discrete-valued lattice of possible future values of the underlying stochastic variable (demand in our case) and then, computes the project value. We have developed and implemented stochastic dynamic programming models both for fixed and flexible capacity systems. In the former case, we consider three standard options: the option to postpone investment, the option to abandon investment, and the option to temporarily shut-down production. For the latter case, we introduce the option of corrective action, in terms of production capacity, that the management can take during the project by considering the existence of one of the following: (i) a capacity expansion option; (ii) a capacity contraction option; or (iii) an option considering both expansion and contraction. The full flexible capacity model, where both the contraction and expansion options exist, leads, as expected, to a better project predicted value and thus, investment policy. However, we have also found that the capacity strategy obtained from the flexible capacity model, when applied to specific demand data series, often does not lead to a better investment decision. This might seem surprising, at first, but it can be explained by the inaccuracy of the binomial model. The binomial model tends to undervalue future decreases in the stochastic variable (demand), while at the same time tending to overvalue an increase in future demand values.     

Orthogonal Synthesis of Xeno Nucleic Acids

Sequence‐defined peptide triazole nucleic acids (PTzNA) were synthesized by means of a solid‐phase orthogonal “AB+CD” iterative strategy. In this approach, AB and CD building blocks containing carboxylic acid (A), azide (B), alkyne (C), and primary amine (D) functions are assembled together by successive copper‐catalyzed azide–alkyne cycloaddition (CuAAC) and acid–amine coupling steps. Different PTzNA genetic sequences were prepared using a library of eight building blocks (i.e., four AB and four CD building blocks).     

Density of the Extremal Solutions for a Class of Second Order Boundary Value Problem

In this paper, we prove a theorem on the existence of extremal solutions to a second-order differential inclusion with boundary conditions, governed by the subdifferential of a convex function. We also show that the extremal solutions set is dense in the solutions set of the original problem.     

On the well-posedness of coupled forward–backward stochastic differential equations driven by Teugels martingales

We deal with a class of fully coupled forward–backward stochastic differential equations (FBSDEs), driven by Teugels martingales associated with a general Lévy process. Under some assumptions on the derivatives of the coefficients, we prove the existence and uniqueness of a global solution on an arbitrarily large time interval. Moreover, we establish stability and comparison theorems for the solutions of such equations. Note that the present work extends known results proved for FBSDEs driven by a Brownian motion, by using martingale techniques related to jump processes, to overcome the lack of continuity.     

Surface potential mapping of dispersed proteins

We describe a method for detecting proteins after transfer to PVDF membranes, based on the surface potential attributed to each protein. Proteins separated by classical two-dimensional polyacrylamide gel electrophoresis could be detected by scanning the membrane surface with a vibrating capacitor (also called a Kelvin probe) on the basis of differences between their surface potential and that of the membrane. Coupled to colloidal gold staining, the technique enables detection of proteins previously undetectable by classical staining methods. Plotting variations of the surface potential in two dimensions visualizes proteins which migrate close together. Finally, we demonstrate that the Kelvin probe detects proteins over a concentration range from micro to sub-nanogram with increased sensitivity at lower concentrations, and unlike other methods, appears to be similar for all proteins tested so far. The method described is fast, reliable, and it can be automated for high throughput.     

Mixed-ligand organometallic polymers containing the "Pd(2)(dmb)2(2+)" fragment: properties of the [Pd2(dmb)2(diphos)2+](n) polymers/oligomers in solution and in the solid state

The 1:1 reaction between the d(9)-d(9) Pd(2)(dmb)(2)Cl(2) complex (dmb = 1,8-diisocyano-p-menthane) and the diphosphine ligands (diphos) bis(diphenylphosphino)butane (5, dppb), bis(diphenylphosphino)pentane (6, dpppen), bis(diphenylphosphino)hexane (7, dpph), and bis(diphenylphosphino)acetylene (8, dpa) in the presence of LiClO(4) leads to the [[Pd(2)(dmb)(2)(diphos)](ClO(4))(2)](n) polymers. These new materials are characterized by NMR ((1)H, (13)C, (31)P), IR, Raman, and UV-vis spectroscopies (466 < lambda(max)(dsigma-dsigma*) < 480 nm), by ATG, XRD, and DSC methods, and by the capacity to make stand-alone films. From the measurements of the intrinsic viscosity in acetonitrile, the M(n) ranges from 16000 to 18400 (12 to 16 units). The dinuclear model complex [Pd(2)(dmb)(2)(PPh(3))(2)](ClO(4))(2) (4) is prepared and investigated as well. The molecular dynamic of the title polymers in acetonitrile solution is investigated by means of (13)C spin-lattice relaxation time (T(1)) and nuclear Overhauser enhancement methods (NOE). The number of units determined by T(1)/NOE methods is 3 to 4 times less than that found from the measurements of intrinsic viscosity, and is due to flexibility in the polymer backbone, even for bridging ligands containing only one (dmb) or two C-C single bonds (dpa). During the course of this study, the starting material Pd(2)(dmb)(2)Cl(2) was reinvestigated after evidence for oligomers in the MALDI-TOF spectrum was noticed. In solution, this d(9)-d(9) species is a binuclear complex (T(1)/NOE). This result suggests that the structure of the title polymers in solution and in the solid state may not be the same either. Finally, these polymers are strongly luminescent in PrCN glasses at 77 K, and the photophysical data (emission lifetimes, 1.50 < tau(e) < 2.75 ns; quantum yields, 0.026 < Phi(e) < 0.17) are presented. X-ray data for [Pd(2)(dppe)(2)(dmb)(2)](PF(6))(4): monoclinic, space group C2/c, a = 24.3735 A, b = 21.8576(13) A, c = 18.0034(9) A, b = 119.775(1) degrees, V = 8325.0(8) A(3), Z = 4.