Thermal desorption of metals from tungsten single crystal surfaces

After a short review of the experimental methods used to determine desorption energies E and frequencies v the assumptions underlying the theoretical analysis of the experimental data are discussed. Then recent experimental results on the flash desorption of Cu, Ag and Au from clean, well characterized W {110} and {100} surfaces are presented and analysed in detail, in particular with respect to the coverage dependence. The results obtained this way clearly reveal the limitations of previous analysis methods and of the experimental technique per se (such as structure and phase changes below and in the temperature region in which desorption occurs). Furthermore the need for more theoretical work to understand the large changes of v and E with coverage and the so-called “compensation effect”, i.e. the relation between In v and E, becomes evident.     

On natural frequencies of transversely isotropic circular plates

The paper discusses the impact of the material properties of transversely isotropic circular plates on its natural frequencies. Two refined theories of plates have been used to analyze the free vibration behavior of homogeneous plates. Both theories take into account normal and rotary inertias. Fundamental frequencies for plates with radial inhomogeneity have been obtained with the help of finite element package Comsol Multiphysics 5.0. It has been shown that the inhomogeneity of the plate have a profound impact on the first (lowest) frequency of the plate, while the plate orthotropy has a greater influence on the second and higher vibration mode [2] (Fig. 1, Table 1).     

Toeplitz quantization on Fock space

For Toeplitz operators $T_f^{(t)}$ acting on the weighted Fock space $H_t^2$, we consider the semi-commutator $T_f^{(t)}{T}_g^{(t)}?T_{fg}^{(t)}$, where $t>0$ is a certain weight parameter that may be interpreted as Planck's constant ? in Rieffel's deformation quantization. In particular, we are interested in the semi-classical limit

($?$)$\underset{t\to 0}{\lim }?{6T_f^{(t)}{T}_g^{(t)}?T_{fg}^{(t)}6}_t.$

It is well-known that ${6T_f^{(t)}{T}_g^{(t)}?T_{fg}^{(t)}6}_t$ tends to 0 under certain smoothness assumptions imposed on f and g. This result was recently extended to $f,g\in \mathrm{BUC}({\mathbb{C}}^n)$ by Bauer and Coburn. We now further generalize (?) to (not necessarily bounded) uniformly continuous functions and symbols in the algebra $\mathrm{VMO}\cap L^{\infty }$ of bounded functions having vanishing mean oscillation on ${\mathbb{C}}^n$. Our approach is based on the algebraic identity $T_f^{(t)}{T}_g^{(t)}?T_{fg}^{(t)}=?{(H_{\overline{f}}^{(t)})}^{?}{H}_g^{(t)}$, where $H_g^{(t)}$ denotes the Hankel operator corresponding to the symbol g, and norm estimates in terms of the (weighted) heat transform. As a consequence, only f (or likewise only g) has to be contained in one of the above classes for (?) to vanish. For g we only have to impose ${\lim \sup }_{t\to 0}{6H_g^{(t)}6}_t<\infty$, e.g. $g\in L^{\infty }({\mathbb{C}}^n)$. We prove that the set of all symbols $f\in L^{\infty }({\mathbb{C}}^n)$ with the property that ${\lim }_{t\to 0}?{6T_f^{(t)}{T}_g^{(t)}?T_{fg}^{(t)}6}_t={\lim }_{t\to 0}?{6T_g^{(t)}{T}_f^{(t)}?T_{gf}^{(t)}6}_t=0$ for all $g\in L^{\infty }({\mathbb{C}}^n)$ coincides with $\mathrm{VMO}\cap L^{\infty }$. Additionally, we show that $\underset{t\to 0}{\lim }?{6T_f^{(t)}6}_t={6f6}_{\infty }$ holds for all $f\in L^{\infty }({\mathbb{C}}^n)$. Finally, we present new examples, including bounded smooth functions, where (?) does not vanish.     

Nonmonotone travelling waves in a single species reaction-diffusion equation with delay

We prove the existence of a continuous family of positive and generally nonmonotone travelling fronts for delayed reaction-diffusion equations , when g∈C²(R₊,R₊) has exactly two fixed points: x₁=0 and x₂=K>0. Recently, nonmonotonic waves were observed in numerical simulations by various authors. Here, for a wide range of parameters, we explain why such waves appear naturally as the delay h increases. For the case of g with negative Schwarzian, our conditions are rather optimal; we observe that the well known Mackey-Glass-type equations with diffusion fall within this subclass of (∗). As an example, we consider the diffusive Nicholson's blowflies equation.     

Tetraammine(selenito‐O,O′)cobaltate(III) nitrate monohydrate

The title compound crystallizes as the mono­hydrate, [Co(SeO₃)(NH₃)₄]NO₃·H₂O. The crystallographic mirror symmetry coincides with the molecular symmetry; the mirror plane passes through the cation, anion and water mol­ecule. The CoN₄O₂ octahedron is distorted, with the selenito group acting as a bidentate ligand through two bridging O atoms to the cobalt. The coordinated Se—O distance is 1.742 (2) Å, whereas the uncoordinated Se—O distance is 1.646 (3) Å. A three‐dimensional hydrogen‐bonded network exists between [Co(SeO₃)(NH₃)₄]NO₃ and the water mol­ecule. The nitrate anion and water mol­ecule form open pores in the structure when hydrogen bonded to two neighboring [Co(SeO₃)(NH₃)₄]⁺ cations. Selenium participates in two types of relatively close intermolecular interactions with neighboring charged species (Se?N1 and Se?O3), but does not participate in an interaction with a neighboring O2 atom, the nearest contact distance being 4.638 (3) Å.     

Nitrogen modified carbide-derived carbons as adsorbents of hydrogen sulfide

Carbide-derived carbons produced from titanium carbide at temperatures from 600 degrees C to 1000 degrees C and exhibiting different porosities were treated with urea in order to introduce nitrogen containing species to their surface. Adsorption of hydrogen sulfide in the dynamic conditions in the presence of moisture was studied on initial and modified samples. The samples, before and after exposure to hydrogen sulfide, were characterized using adsorption of nitrogen, potentiometric titration, elemental analysis, and thermal analysis. The results showed that the introduction of nitrogen significantly enhances the performance of carbons in the process of hydrogen sulfide removal. The amount adsorbed and the degree of oxidation depended on the porosity. On the samples with very small pores, the adsorption was limited, probably owing to the sterical hindrances. With an increase in the size and volume of micropores, in which water and hydrogen sulfide can be accommodated, the efficiency of H(2)S removal by CDC increased.     

Chemical Characterization and Bioactivity of Commercial Essential Oils and Hydrolates Obtained from Portuguese Forest Logging and Thinning

Essential oils (EOs) and hydrolates (Hds) are natural sources of biologically active ingredients with broad applications in the cosmetic industry. In this study, nationally produced (mainland Portugal and Azores archipelago) EOs (11) and Hds (7) obtained from forest logging and thinning of Eucalyptus globulus, Pinus pinaster, Pinus pinea and Cryptomeria japonica, were chemically evaluated, and their bioactivity and sensorial properties were assessed. EOs and Hd volatiles (HdVs) were analyzed by GC-FID and GC-MS. 1,8-Cineole was dominant in E. globulus EOs and HdVs, and α- and β-pinene in P. pinaster EOs. Limonene and α-pinene led in P. pinea and C. japonica EOs, respectively. P. pinaster and C. japonica HVs were dominated by α-terpineol and terpinen-4-ol, respectively. The antioxidant activity was determined by DPPH, ORAC and ROS. C. japonica EO showed the highest antioxidant activity, whereas one of the E. globulus EOs showed the lowest. Antimicrobial activity results revealed different levels of efficacy for Eucalyptus and Pinus EOs while C. japonica EO showed no antimicrobial activity against the selected strains. The perception and applicability of emulsions with 0.5% of EOs were evaluated through an in vivo sensory study. C. japonica emulsion, which has a fresh and earthy odour, was chosen as the most pleasant fragrance (60%), followed by P. pinea emulsion (53%). In summary, some of the studied EOs and Hds showed antioxidant and antimicrobial activities and they are possible candidates to address the consumers demand for more sustainable and responsibly sourced ingredients.     

Theoretical and electrochemical studies on organometallic symmetrical schiff base complexes of Zn(II), Cu(II), Ni(II) and Co(II)

The electronic communication between two redox centres through a Schiff base complex has been investigated in a series of ethylenediimine-bis(1-ferrocenyl-1,3-butanedionate) complexes of Zn(II) 1, Cu(II) 2, Ni(II) 3 and Co(II) 4. Cyclic voltammetry experiments of 1 and 2 exhibit a unique two-electron reversible oxidation wave, whereas in the case of 3 and 4 two and three one-electron oxidation processes are, respectively, observed. These results suggest some electronic interaction between the iron atoms of the ferrocenyl groups. DFT calculations carried out on model complexes show that for all the studied compounds the removal of the first two electrons corresponds to the oxidation processes of the iron centres in the weakly coupled ferrocenyl termini. The electronic communication between the two iron centres increases on going from 1 to 4. Finally, a re-indexation of the bands observed in the UV-Visible spectra has been carried out using TDDFT calculations.