Changes in surface stress caused by the adsorption of an epitaxial metal monolayer

The adsorption of a metal monolayer on a foreign substrate generates a change in the surface stress. We calculate this change for a number of substrate/adsorbate systems using the embedded-atom method. The results are compared with those obtained from a continuum model. A cycle, in which the stretching of a substrate/adsorbate system is decomposed into several steps, helps in understanding the numerical results.     

Unbounded perturbation of the controllability for evolution equations

In this paper we prove that the controllability for evolution equations in Banach spaces is not destroyed, if we perturb the equation by “small” unbounded linear operator. This is done by employing a perturbation principle from linear operator theory and a characterization of surjective operators in Banach spaces. Finally, we apply these to a control system governed by partial integro-differential equations.     

The structure of electrodeposits – a computer simulation study

Polycrystalline higher manganese silicide (MnSi_1.73) films with addition of chromium were prepared on thermally oxidized silicon substrates by magnetron sputtering. A cap layer of chromium disilicide was used as the doping source. Both the Seebeck coefficient and the resistivity were strongly dependent on the amount of chromium added to the film. When the thickness ratio of chromium disilicide to manganese silicide increased from 2.4% to 9.8%, the Seebeck coefficient at room temperature decreased from 121 to 100 μV/K. However, the temperature at which the maximum value of the Seebeck coefficient occurred increased from 343 to 633 K. When the thickness ratio was about 2.4%, the resistivity increased to 33×10^-3 Ω cm. Otherwise, the resistivity decreased from 13×10^-3 to 5.2×10^-3 Ω cm by increasing the thickness ratio. As a result, the thermoelectric power factor increased greatly at high temperatures. Several activation energies (0.021–0.383 eV) were observed from the curves of the logarithm of resistivity versus reciprocal temperature. PACS 72.20.Pa; 72.80.Ga; 72.15.Jf; 73.50.Lw; 73.61.Le     

The dual quasisemigroup and controllability of evolution equations

We study the notion of dual quasisemigroups of bounded linear operators as a generalization of that for strongly continuous semigroup and prove some properties similar to the dual of a semigroup, among other things we prove that for reflexive Banach spaces the dual quasisemigroup is strongly continuous on (0,+∞). This allows us to extend some recent criteria of controllability to a general class of evolution equations in reflexive Banach spaces.     

The behavior of single-molecule junctions predicted by atomistic simulations

Molecular dynamic simulations in combination with energy minimizations are used in order to understand the basis of the novel experiments reported recently by Haiss et al. (W. Haiss, C. Wang, I. Grace, A.S. Batsanov, D.J. Schiffrin, S.J. Higgins, M.R. Bryce, C.J. Lambert, R.J. Nichols, Nature Mater. 5 (2006) 995). Our model suggests that single-molecule junctions produced by the trapping method can be reached when the STM tip – substrate surface separation is smaller than 8 Å. Additionally, our model predicts that the effect of the electric field on the attachment/detachment process can be neglected.     

Synchronization of non-identical extended chaotic systems

In this article a technique to achieve synchronization in spatially extended systems is introduced. The basic idea behind this method is to map a system of partial differential equations (PDEs) into a high-dimensional space where the representation of this PDE is an ordinary differential equation. By using semi-group theory, we are able to find conditions that ensure the synchronization of two systems of non-identical reaction–diffusion equations with a master–slave coupling.     

Harmonic oscillator in Snyder space: The classical case and the quantum case

The harmonic oscillator in Snyder space is investigated in its classical and quantum versions. The classical trajectory is obtained and the semiclassical quantization from the phase space trajectories is discussed. An effective cut-off to high frequencies is found. The quantum version is developed and an equivalent usual harmonic oscillator is obtained through an effective mass and an effective frequency introduced in the model. This modified parameters give us a modified energy spectrum also.     

Preparation and properties of the systems Fe2−xCrxWO6, Fe2−xRhxWO6, and Cr2−xRhxWO6

Solid solutions of the end members Fe₂WO₆, Cr₂WO₆, and Rh₂WO₆ have been prepared and their crystallographic and magnetic properties studied. All solid solutions crystallize with the trirutile structure, and their magnetic behavior is characterized by the existence of antiferromagnetic interactions and effective molar Curie constants corresponding to those expected from contributions of the spinonly moments of high-spin Fe³⁺, Cr³⁺, and diamagnetic low-spin Rh³⁺ ions. Fe₂WO₆ crystallizes with the tri-α-PbO₂ structure and is antiferromagnetic and conducting. The random rutile Rh₂WO₆ is conducting, and the difference between its magnetic and electric properties and those of the inverse trirutile Cr₂WO₆ are discussed in terms of possible interactions between Cr³⁺(3d) or Rh³⁺(4d) orbitals and W⁶⁺(5d) orbitals.     

Kinetics and mechanism of the thermal decomposition reaction of acetone cyclic diperoxide in methyl tert‐butyl ether solution

The thermal decomposition reaction of acetone cyclic diperoxide (3,3,6,6‐tetramethyl‐1,2,4,5‐tetroxane, ACDP), in the temperature range of 130.0–166.0°C and initial concentrations range of 0.4–3.1 × 10^?2 mol kg^?1 has been studied in methyl t‐butyl ether solution. The thermolysis follows first‐order kinetic laws up to at least ca 60% ACDP conversion. Under the experimental conditions, the activation parameters of the initial step of the reaction (ΔH^# = 33.6 ± 1.1 kcal mol^?1; ΔS^# = ?4.1 ± 0.7 cal mol^?1 K^?1; ΔG^# = 35.0 ± 1.1 kcal mol^?1) and acetone, as the only organic product, support a stepwise reaction mechanism with the homolytic rupture of one of its peroxidic bond. Also, participation of solvent molecules in the reaction is postulated given an intermediate diradical, which further decomposes by C? O bond ruptures, yielding a stoichiometric amount of acetone (2 mol per mole of ACDP decomposed). The results are compared with those obtained for the above diperoxide thermolysis in other solvents. © 2004 Wiley Periodicals, Inc. Int J Chem Kinet 36: 302–307, 2004