A model of preferential (100) crystal orientation of Si grains grown by aluminium-induced layer-exchange process

The aluminium-induced layer-exchange process allows to grow thin large-grained polycrystalline Si films on foreign substrates. A characteristic feature of these films is the preferential (100) orientation of Si grains, favourable for subsequent epitaxial thickening at low temperatures. In this work, a model based on the preferential nucleation is proposed, which elucidates a possible origin of the preferential (100) orientation and its sensitivity to the preparation and process conditions. The probability of Si nuclei to have respective orientation is attributed to the nucleation barrier, i.e. the critical value of the change of the Gibbs energy during nucleation. The preferential orientation is formed statistically by the nuclei having the lowest nucleation barriers.     

Acoustic scattering at a gap between two orthogonal,semi-infinite barriers: coordinate and spectral equations

The 2-D problem of diffraction by a gap between two orthogonal semi-infinite barriers is considered. The method of reflections is applied and the diffraction problem is reformulated as a propagation problem on a multi-sheet surface. An auxiliary problem, with a single incident wave, is formulated. By applying an embedding formula the auxiliary problem is reduced to that of finding a set of edge Green’s functions for the surface. The edge Green’s functions are proven to satisfy two sets of differential equations: the coordinate equations and the spectral equation. Although too complicated to be solved analytically, these ordinary differential equations offer some advantages over partial differential equations or integral equations.     

NEXAFS study of electronic and atomic structure of active layer in Al/indium tin oxide/TiO2 stack during resistive switching

We have studied the stability of the resistive switching process in the Al/(In₂O₃)_0.9(SnO₂)_0.1/TiO₂ assembly grown by atomic layer deposition. Besides electrical characterization the effect of electric field on the atomic electronic structure of the TiO₂ layer was studied using near edge X-ray absorption fine structure (NEXAFS) spectroscopy. The region of the current instability in the I-V characteristics was revealed. Presumably this current instability is supported by the amorphous structure of the TiO₂ film but is initiated by the surface morphology of the Al substrate. A formation of the O₂ molecules was established which occurs specifically in the region of the current instability that is a result of electrical Joule heating manifestation.     

Temperature‐Dependent Exciton and Trap‐Related Photoluminescence of CdTe Quantum Dots Embedded in a NaCl Matrix: Implication in Thermometry

Temperature‐dependent optical studies of semiconductor quantum dots (QDs) are fundamentally important for a variety of sensing and imaging applications. The steady‐state and time‐resolved photoluminescence properties of CdTe QDs in the size range from 2.3 to 3.1 nm embedded into a protective matrix of NaCl are studied as a function of temperature from 80 to 360 K. The temperature coefficient is found to be strongly dependent on QD size, with the highest sensitivity obtained for the smallest size of QDs. The emission from solid‐state CdTe QD‐based powders is maintained with high color purity over a wide range of temperatures. Photoluminescence lifetime data suggest that temperature dependence of the intrinsic radiative lifetime in CdTe QDs is rather weak, and it is mostly the temperature‐dependent nonradiative decay of CdTe QDs which is responsible for the thermal quenching of photoluminescence intensity. By virtue of the temperature‐dependent photoluminescence behavior, high color purity, photostability, and high photoluminescence quantum yield (26%–37% in the solid state), CdTe QDs embedded in NaCl matrices are useful solid‐state probes for thermal imaging and sensing over a wide range of temperatures within a number of detection schemes and outstanding sensitivity, such as luminescence thermochromic imaging, ratiometric luminescence, and luminescence lifetime thermal sensing.     

Virus Matryoshka: A Bacteriophage Particle—Guided Molecular Assembly Approach to a Monodisperse Model of the Immature Human Immunodeficiency Virus

Immature human immunodeficiency virus type 1 (HIV‐1) is approximately spherical, but is constructed from a hexagonal lattice of the Gag protein. As a hexagonal lattice is necessarily flat, the local symmetry cannot be maintained throughout the structure. This geometrical frustration presumably results in bending stress. In natural particles, the stress is relieved by incorporation of packing defects, but the magnitude of this stress and its significance for the particles is not known. In order to control this stress, we have now assembled the Gag protein on a quasi‐spherical template derived from bacteriophage P22. This template is monodisperse in size and electron‐transparent, enabling the use of cryo‐electron microscopy in structural studies. These templated assemblies are far less polydisperse than any previously described virus‐like particles (and, while constructed according to the same lattice as natural particles, contain almost no packing defects). This system gives us the ability to study the relationship between packing defects, curvature and elastic energy, and thermodynamic stability. As Gag is bound to the P22 template by single‐stranded DNA, treatment of the particles with DNase enabled us to determine the intrinsic radius of curvature of a Gag lattice, unconstrained by DNA or a template. We found that this intrinsic radius is far larger than that of a virion or P22‐templated particle. We conclude that Gag is under elastic strain in a particle; this has important implications for the kinetics of shell growth, the stability of the shell, and the type of defects it will assume as it grows.     

Nonlinear model predictive control of biodiesel production via transesterification of used vegetable oils

The economic performance of an industrial scale semi-batch reactor for biodiesel production via transesterification of used vegetable oils is investigated by simulation using nonlinear model predictive control (NMPC) technology. The objective is to produce biodiesel compliant to the biodiesel standards at the minimum costs. A first-principle model is formulated to describe the dynamics of the reactor mixture temperature and composition. The feed oil and mixture composition are characterized using a pseudo-component approach, and the thermodynamic properties are estimated from group contribution methods. The dynamic model is used by the NMPC framework to predict the optimal control profiles, where a multiple shooting based dynamic optimization problem is solved at every sampling time. Simulation results with the economic performance of an industrial scale semi-batch reactor are presented for control configurations manipulating the methanol feed flow rate and the heat duty.     

A method for simultaneous strong stabilization of linear time-varying systems

This paper considers the problem of simultaneously stabilizing a finite collection of linear time-varying systems via a stable linear time-varying controller. The class of controllers proposed in this paper are linear, time varying and infinite dimensional. However, the computer implementation of these controllers would not be computationally more demanding than the computer implementation of a finite-dimensional linear time-varying controller.     

A theory of topological separation of linear and star-shaped polymers by two-dimensional chromatography

Topology influences the size of macromolecules, but polymers are usually distributed with respect to molar mass, which also results in the size distribution within a polymeric sample. Due to this fact size-exclusion chromatography (SEC) is not able to separate even moderately polydisperse polymers by topology; the same is also true for the adsorption chromatography (AC). The full separation by molar mass and topology is not possible by any single mode of chromatography. These problems can be solved by means of two-dimensional chromatography which combines SEC and AC mechanisms. A theory of interactive chromatography of linear and star-shaped ideal-chain polymers is used to analyze two-dimensional chromatographic separation of polydisperse linear and star polymers. Basing on this theory, we simulate 2D-chromatograms for model mixtures of polydisperse linear and star-shaped polymers of equal average molar mass, and demonstrate that 2D-separation of such polymers by topology is possible. A possibility to separate symmetric and very asymmetric stars by 2D-chromatography is predicted. The influence of the molar-mass heterogeneity, pore size and adsorption interaction parameter on the 2D chromatographic pattern is analysed, and the conditions for a good separation of linear and star polymers are formulated. The theoretical results are in a qualitative agreement with the experimental data, which have been reported previously by Gerber and Radke.     

Irradiation of synthetic garnet by heavy ions and α-decay of Cm

Garnet, A₃B₂X₃O₁₂, has a structure that can incorporate actinides. Hence, the susceptibility of the garnet structure to radiation damage has been investigated by comparing the results of self-radiation damage from α-decay of ²⁴⁴Cm and a 1 MeV Kr²⁺ ion irradiation. Gradual amorphization with increasing fluence was observed by X-ray diffraction analysis and in situ transmission electron microscopy. The critical dose, D_c, for an yttrium-aluminum garnet (Y₃Al₅O₁₂) doped with 3 wt.% ²⁴⁴Cm is calculated to be 0.4 displacements per atom (dpa). While the doses obtained by ion irradiation experiments of garnets with different compositions (Y_2.43Nd_0.57)(Al_4.43Si_0.44)O₁₂, (Ca_1.64Ce_0.41Nd_0.42La_0.18Pr_0.18Sm_0.14Gd_0.04)Zr_1.27Fe_3.71O₁₂, and (Ca_1.09Gd_1.23Ce_0.43)Sn_1.16Fe_3.84O₁₂, varied from 0.29 to 0.55 dpa at room temperature. The similarity in the amorphization dose at room temperature and critical temperature of the different garnet compositions suggest that the radiation response for the garnet structure is structurally constrained, rather than sensitive to composition, which is the case for the pyrochlore structure-type.