Defect clustering in double doped fluorite crystals with Lu and Gd

Abstract

Solid solutions Ca¹ x-^yLu^xGd^y F_2+x+y for 10^?4 ≤ x ≤ 2 × 10^?2 and y=0.0001 have been studied by electron paramagnetic resonance (EPR) and ionic thermal currents (ITC). It has been found that the ITC spectrum from 77 to 420 K is very weak and the main peak is attributed to the relaxation of both Lu³⁺-F^? _x and Gd³⁺F^? _i nn dipoles. No polarizable clusters are present in the temperature range explored here. The EPR spectra show the presence of Gd³⁺ tetragonal and cubic centers due to the local and non local compensation, respectively. The continuous decrease in the molar fraction of Gd³⁺ tetragonal centers together with the low concentration of Lu nn dipoles is an evidence of the existence at these low and intermediate concentrations of large clusters such as the cubo-octahedral hexamer which has been proposed for CaF₂ crystals very highly doped with small trivalent cations.     

Half Space and Quarter Space Dirichlet Problems for the Partial Differential Equation

A customary, heuristic, method, by which the Poisson integral formula for the Dirichlet problem, for the half space, for Laplace's equation is obtained, involves Green's function, and Kelvin's method of images. Although this heuristic method leads one to guess the correct result, this Poisson formula still has to be verified directly, independently of the method by which it was arrived at, in order to be absolutely certain that a solution of the Dirichlet problem for the half space, for Laplace's equation, has been actually obtained. A similar heuristic method, as seems to be generally known, could be followed in solving the Dirichlet problem, for the half space, for the equation where is a real constant. However, in Part 1, a different, labor-saving, method is used to study Dirichlet problems for the equation. This method is essentially based on what Hadamard called the method of descent. Indeed, it is shown that he who has solved the half space Dirichlet problem for Laplace's equation has already solved the half space Dirichlet problem for the equation In Part 2, the solution formula for the quarter space Dirichlet problem for Laplace's equation is obtained from the Poisson integral formula for the half space Dirichlet problem for Laplace's equation. A representation theorem for harmonic functions in the quarter space is deduced. The method of descent is used, in Part 3, to obtain the solution formula for the quarter space Dirichlet problem for the equation by means of the solution formula for the quarter space Dirichlet problem for Laplace's equation. So that, indeed, it is also shown that he who has solved the quarter space Dirichlet problem for Laplace's equation has already solved the quarter space Dirichlet problem for the " equation" For the sake of completeness and clarity, and for the convenience of the reader, the appendix, at the end of Part 3, contains a detailed proof that the Poisson integral formula solves the half space Dirichlet problem for Laplace's equation. The Bibliography for Parts 1,2, 3 is to be found at the end of Part 1.     

Modelling the dynamic deformation and patterning in fcc single crystals at high strain rates: dislocation dynamics plasticity analysis

The deformation process in copper and aluminium single crystals under shock loading is investigated using a multiscale model of plasticity that couples discrete dislocation dynamics and finite element analyses. Computer simulations are carried out to mimic loading condition of high strain rates ranging from 10⁵ to 10⁷?s^?1, and short pulse durations of few nanoseconds involved in recent laser based experiments. The effects of strain rate, shock pulse duration and the nonlinear elastic properties are investigated. Relaxed configurations using dislocation dynamics show formation of dislocation micro bands and weak dislocation cells. Statistical analyses of the dislocation microstructures are preformed to study the characteristics of the local dislocation densities and the distribution of the instantaneous dislocations velocities.     

Resolutions of subsets of finite sets of points in projective space

Abstract

Eisenbud et al. proved a number of results regarding Gröbner bases and initial ideals of those ideals J in the free associative algebra K ?X ₁,…, X _n ? which contain the commutator ideal. We prove similar results for ideals which contains the anti-commutator ideal (the defining ideal of the exterior algebra). We define one weak notion of generic initial ideals in K ?X ₁,…, X _n ?, and show that generic initial ideals of ideals containing the anti-commutator ideal, or the commutator ideal, are finitely generated.     

Carboxyboronate: A Versatile C1 Building Block

The synthesis and applications of carboxy‐MIDA‐boronate, a novel C1 building block, are described. This molecule is accessible via a ruthenium tetraoxide‐mediated cleavage of commercially available ethynyl‐MIDA‐boronate. In the course of this study, carboxy‐MIDA‐boronate was found to possess ambident reactivity towards nucleophiles. Carboxylic acid derivatization produces a broad range of previously unknown carbamoyl‐, oxycarbo‐ and thiocarboboronates. Carboxy‐MIDA‐boronate and its derivatives undergo condensations to access borylated heterocycles with boron at positions that are difficult to access using alternate methods. The resulting heterocycles participate in the Suzuki–Miyaura cross‐coupling reaction, enabling entry into diverse bis(heteroaryl) motifs. The carbon monoxide‐releasing capacity of carboxy‐MIDA‐boronate was also examined and applied in palladium‐catalyzed carbonylation.     

An [FeIII34] Molecular Metal Oxide

The dissolution of anhydrous iron bromide in a mixture of pyridine and acetonitrile, in the presence of an organic amine, results in the formation of an [Fe₃₄] metal oxide molecule, structurally characterised by alternate layers of tetrahedral and octahedral Fe^III ions connected by oxide and hydroxide ions. The outer shell of the complex is capped by a combination of pyridine molecules and bromide ions. Magnetic data, measured at temperatures as low as 0.4 K and fields up to 35 T, reveal competing antiferromagnetic exchange interactions; DFT calculations showing that the magnitudes of the coupling constants are highly dependent on both the Fe‐O‐Fe angles and Fe?O distances. The simplicity of the synthetic methodology, and the structural similarity between [Fe₃₄], bulk iron oxides, previous Fe^III–oxo cages, and polyoxometalates (POMs), hints that much larger molecular Fe^III oxides can be made.     

Novel photonic applications of nonlinear semiconductor laser dynamics

With a proper perturbation, even a single-mode semiconductor laser can exhibit highly complex dynamical characteristics ranging from stable, narrow-linewidth oscillation to broadband chaos. In recent years, three approaches to invoke complex nonlinear dynamical states in a single-mode semiconductor laser have been thoroughly studied: optical injection, optical feedback, and optoelectronic feedback. In each case, the nonlinear dynamics of the semiconductor laser depends on five intrinsic laser parameters and three operational parameters. The dynamical state of a given laser can be precisely controlled by properly adjusting the three operational parameters. This ability to control the dynamical behavior of a laser, combined with the understanding of its characteristics, opens up the opportunity for a wide range of novel applications. This paper illustrates the utilization of the rich nonlinear dynamics of single-mode semiconductor lasers by focusing on the period-one oscillation for its applications in tunable photonic microwave generation, AM-to-FM conversion, and dual-frequency precision Doppler lidar.     

Experimental probes of silver metal nanoparticle formation kinetics: Comparing indirect versus more direct methods

The kinetics of noble metal nanoparticle formation in bottom-up syntheses are important for controlling and optimizing these methods. Hence, experimental probes that are easily accessible to most laboratories are also of interest. We collected kinetic curves for the formation of silver nanoparticles in a modified Turkevich method with citrate acting as the reducing and stabilizing agent by (i) measuring the change in silver nanoparticle surface plasmon resonance by UV-visible spectroscopy, a somewhat indirect method, and then also by (ii) measuring the change in silver ion concentration by ion-selective electrode potentiometry and/or atomic absorption spectroscopy, two more direct methods. The resulting sigmoidal kinetic curves were curvefitted with the Finke-Watzky two-step kinetic model of slow, continuous nucleation and fast autocatalytic growth to extract average rate constants. We found that the kinetic curves obtained by following the change in silver ion concentration were apparent mirror images of those constructed by following the change in nanoparticle surface plasmon resonance, and that their respective curvefits displayed the same sigmoidal characteristics. The resultant values of the rate constants for nucleation and growth overlapped within experimental error between the methods and showed similar trends over the range of citrate concentrations studied. The use of multiple probes in this work to follow the kinetics of nanoparticle formation helps fill a need for the comparison and evaluation of different methods available to scientists, particularly those considered easily accessible.     

Incompatible elements in bottom sediments of the Itaipú Dam Reservoir by EDXRF

Journal of Radioanalytical and Nuclear Chemistry - Sediments play an important role in the distribution of trace elements in the aquatic system and act as a sink for metals. Incompatible elements...     

Crystal and molecular structure of tetraiodo (1,8-di-2-pyridyl-3,6-dithiaoctane-N,S,S′,N′)dimercury(II)

Summary The X-ray crystal structure of the title compound, [Hg₂(C₁₆H₂₀N₂S₂)I₄], has been determined. The crystals are monoclinic (space groupP2₁/c), with cell dimensionsa=15.016(2),b=6.201(3),c=15.273(2) Å,=115.18(1)°;V _o =1287.0(7) ų,M _r =1213.266,Z=4,D _x =6.26mg m^–3, MoK radiation (graphite crystal monochromator, ),(MoK)=336 cm^–1,F(000)=4272, andT=290°K. The final conventionalR factor=0.054, andR _w =0.062 for 2799 observed reflections. The structure was solved by Patterson and Fourier methods and refined by block-diagonal least-squares methods. The coordination around the mercury atoms is approximately tetrahedral, although with considerable distortion, with two iodine atoms and the N and S atoms of one-half of the ligand molecule.