Formation and electronic structure of interface

In the present work the formation of the interface between polycrystalline silver and thin films of titanium oxide was studied with photoelectron spectroscopy (XPS, UPS) and time-of-flight secondary ion mass spectrometry (TOF-SIMS). Titanium oxide was deposited stepwise on 100 nm thick silver films by reactive magnetron sputtering allowing to study the evolution of the interface formation process. The process involves two steps: formation of thin layer of silver oxide and subsequent growth of the TiO₂ film. For better understanding of the silver oxidation process, pure silver films were exposed to a low temperature Ar/O plasma for different time intervals providing a possibility to investigate early stages of the oxide film growth.     

Automated Flaw Detection in Algebraic Specifications

In interactive theorem proving practice a significant amount of time is spent on unsuccessful proof attempts of wrong conjectures. An automatic method that reveals them by generating finite counter examples would offer an extremely valuable support for a proof engineer by saving his time and effort. In practice, such counter examples tend to be small, so usually there is no need to search for big instances. Most definitions of functions or predicates on infinite structures do not preserve the semantics if a transition to arbitrary finite substructures is made. We propose constraints which guarantee a correct axiomatization on finite structures and present an approach which uses the Alloy Analyzer to generate finite instances of theories in the theorem prover KIV. It is evaluated on the library of basic data types as well as on some challenging case studies in KIV. The technique is implemented using the Kodkod constraint solver which is a successor of Alloy.     

A semi-supervised tool for clustering accounting databases with applications to internal controls

A considerable body of literature attests to the significance of internal controls; however, little is known on how the clustering of accounting databases can function as an internal control procedure. To explore this issue further, this paper puts forward a semi-supervised tool that is based on self-organizing map and the IASB XBRL Taxonomy. The paper validates the proposed tool via a series of experiments on an accounting database provided by a shipping company. Empirical results suggest the tool can cluster accounting databases in homogeneous and well-separated clusters that can be interpreted within an accounting context. Further investigations reveal that the tool can compress a large number of similar transactions, and also provide information comparable to that of financial statements. The findings demonstrate that the tool can be applied to verify the processing of accounting transactions as well as to assess the accuracy of financial statements, and thus supplement internal controls.     

Corrosion-resistant analogue of Hadfield steel

The concept of alloying austenitic steels with carbon + nitrogen is used for the development of a corrosion-resistant austenitic CrMn steel having an impact wear resistance close to that of the Hadfield steel. A higher stabilization of the austenitic phase by C + N, as compared to carbon or nitrogen alone, is substantiated by ab initio calculation of the electron structure, measurements of the concentration of free electrons and calculations of the phase equilibrium. Based on these results, the compositions (mass%) Cr18Mn18C0.34N0.61 and Cr18Mn18C0.49N0.58 were melted and tested along with Hadfield steel Mn12C1.2. Mechanical tests have shown that, as compared to the Hadfield steel, the experimental steels possess a higher strength, plasticity, hardness and the same resistance to impact wear. TEM studies of the surface layer after impact treatment revealed a mixture of the amorphous phase, nanocrystals and fine-twinned austenite. At the same time, using Mössbauer spectroscopy of conversion electrons, the ferromagnetic ordering was found in the surface layer of up to 10 μm in depth, which is the sign of the strain-induced martensitic phase. The hypothesis of a transition from the low-spin to the high-spin state of the iron atoms within the thin twins in austenite was proposed in order to interpret the discrepancy between TEM and Mössbauer studies. Potentiodynamic measurements and immersion tests show that the CrMnCN steels possess a significantly higher pitting potential and resistance to general corrosion in comparison with Hadfield steel.     

Morphology, optical, and photoelectrochemical properties of electrodeposited nanocrystalline ZnO films sensitized with Cd x Zn1−x S nanoparticles

Nanocrystalline ITO/ZnO films formed by porous zinc oxide microplatelets 1–3 μm in size and 100–200 nm in thickness, which consist of 30–50 nm ZnO crystallites, were sensitized to visible light by Cd _x Zn_1?x S nanocrystals deposited using the method of successive ionic layer adsorption and reaction (SILAR). The composition of Cd _x Zn_1?x S nanocrystals as well as the dependence between molar Cd(II) fraction in the films and the ratio of cadmium and zinc nitrate concentrations in solutions used for the SILAR procedure were determined by a combination of electron, Raman, and energy-dispersive X-ray spectroscopies. The photovoltage observed at illumination of the ITO/ZnO/Cd _x Zn_1?x S heterostructures by white light (λ >400 nm) in aqueous Na₂S solution increases with a decrease of Cd(II) content proportionally to an increment in the conduction band potential of the Cd _x Zn_1?x S nanocrystals. The photocurrent density normalized to the light absorbance of the ITO/ZnO/Cd _x Zn_1?x S films increases by a factor of around four when the conduction band potential of Cd _x Zn_1?x S nanocrystals grows by 220 mV as a result of Cd(II) fraction changing from 1.0 to 0.62–0.67. The results show that Cd _x Zn_1?x S solid solutions are more advantageous sensitizers for the short-wavelength part of the sensitivity window of the liquid-junction solar cells (400–450 nm) than conventionally used cadmium sulfide.     

Development of new dominant selectable markers for the nonconventional yeasts Ogataea polymorpha and Candida famata

Nonconventional yeast Candida famata and Ogataea polymorpha are interesting organisms for basic and applied studies. O. polymorpha is methylotrophic thermotolerant yeast capable of xylose alcoholic fermentation whereas C. famata is capable of riboflavin overproduction. Still, the new tools for molecular research of these species are needed. The aim of this study was to develop the new dominant selective markers for C. famata and O. polymorpha usable in metabolic engineering experiments. In this work, the BSD gene from Aspergillus terreus coding for blasticidin S deaminase, O. polymorpha AUR1 gene required for sphingolipid synthesis and IMH3 gene, which encodes IMP dehydrogenase, were tested as the new dominant selective marker genes. Our results showed that AUR1 and IMH3 genes could be used as dominant selective markers for O. polymorpha with frequencies of transformation of 40 and 20 transformants per microgram of DNA, respectively. The IMH3 gene was successfully used as the marker for construction of O. polymorpha strains with increased ethanol production from xylose due to overexpression of TAL1, TKL1 and AOX1 genes. The BSD gene from A. terreus, conferring resistance to blasticidin, was found to be efficient for selection of C. famata transformants.     

Overexpression of the genes of glycerol catabolism and glycerol facilitator improves glycerol conversion to ethanol in the methylotrophic thermotolerant yeast Ogataea polymorpha

Production of fuel ethanol is one of the possible ways to utilize crude glycerol, substantial amounts of which are produced by biodiesel industry. Earlier, we have described construction of the recombinant strains of methylotrophic thermotolerant yeast Ogataea polymorpha with simultaneous overexpression of the genes PDC1 and ADH1, which produced increased amounts of ethanol from glycerol. In this work, we have further improved these strains by overexpression of genes involved either in oxidative (through dihydroxyacetone) or phosphorylative (through glycerol-3-phosphate) pathway of glycerol catabolism, as well as heterologous gene coding for glycerol transporter FPS1 from Komagataella phaffii (formerly, Pichia pastoris). Obtained recombinant strains produced up to 10.7 g/L of ethanol (with ethanol productivity 30 mg/g of biomass/hr and yield 132 mg/g of consumed glycerol) from pure glycerol and up to 3.55 g/L of ethanol (with ethanol productivity 11.6 mg/g of biomass/hr and yield 72.3 mg/g of consumed glycerol) from crude glycerol as a carbon source, which is approximately 15 times more relative to that of the O. polymorpha wild-type strain and 2.2 more relative to the earlier constructed strain.     

The effect of laser surface texturing on transitions in lubrication regimes during unidirectional sliding contact

Laser surface texturing (LST) is an emerging effective method for improving the tribological performance of friction units lubricated with oil. In LST technology, a pulsating laser beam is used to create thousands of arranged microdimples on a surface by a material ablation process. These dimples generate hydrodynamic pressure between oil-lubricated parallel sliding surfaces. The impact of LST on lubricating-regime transitions was investigated in this study. Tribological experiments were conducted with a pin-on-disk apparatus at sliding speeds in the range of 0.015–0.75 m/s and nominal contact pressures that ranged from 0.16 to 1.6 MPa. Two oils with different viscosities (54.8 and 124.7 cSt at 40 °C) were used as lubricants. The test results showed that laser texturing expanded the contact parameters in terms of load and speed for hydrodynamic lubrication, as indicated by friction transitions on the Stribeck curve. The beneficial effects of laser surface texturing are more pronounced at higher speeds and loads and with higher viscosity oil.     

Photoelastic and acousto-optical properties of Cs2HgCl4 crystals

We use a Mach-Zehdner interferometric technique to study the piezo-optical properties of Cs2HgCl4 crystals at room temperature. All piezo-optical (pi(mn)) and photoelastic (p(in)) tensor constants are obtained. A substantial photoelastic effect and low ultrasonic velocities in these crystals determine a relatively high figure of merit M2 for isotropic diffraction (for a certain geometry of acousto-optical interactions, M2 approximately 110 x 10(-15) s3/kg). The new material may be considered, therefore, a candidate for applications in acousto-optical devices. The dependence of the acoustic walk-off angle on the direction of sound propagation is calculated for the principal crystallographic planes.     

Photostable liquid‐crystal guest‐host nano‐materials for display applications

Abstract— We theoretically modeled the optical plasmon absorption of anisotropic metallic nanoparticles in a liquid‐crystal host medium. Metallic nanorods and spheroids act as pleochroic dopants with virtually unlimited photostability. Calculations predict that full‐color displays based on nanorod orientation driven by the transition from homogeneous to homeotropic LC alignment are feasible. These displays are expected to have large viewing angles without the need for polarizers or LC anchoring surfaces.