Crystal structures and growth mechanism for ultrathin films of ionic compound materials: FeO(111) on Pt(111)

The growth and atomic structures of epitaxial iron-oxide films on Pt(111) were studied with scanning tunneling microscopy and high-resolution low-energy electron diffraction. During the initial layer-by-layer growth of FeO(111) four different structures are formed as the coverage increases to 2.5 monolayers, then a three-dimensional growth of Fe3O4(111) islands begins. The structural transformations demonstrate that the relaxations within the FeO(111) films and the Stranski-Krastanov growth mode are induced by electrostatic surface energies, which dominate the energetics of thin film systems made up of ionic compound materials

Development of the heat and mass transfer model for the study of the temperature traces water droplets in a flame

The heat and mass transfer model is developed with using Ansys Fluent. The typical temperature of gases in the trace of water droplets is determined (initial temperature of gases 1170 К). Several types for the location of water droplets are studied: two successive water droplets; two parallel water droplets; five water droplets in checkerboard order. The hypothesis about gas temperature reduction in the trace of a moving liquid is confirmed

Использование IoT-технологий в защите окружающей среды

Большинство дискуссий вокруг феномена Интернета вещей (IoT) обычно сводится к тем потенциальным преимуществам для бизнеса и к тем удобствам для пользователей, которые обеспечивают интеллектуальные устройства и объекты, окружающие нас ежедневно. Однако, каким образом Интернет вещей и индустриальный Интернет вещей (M2M - machine-to-machine), то есть беспроводная передача данных и информации между устройствами и объектами, будет способствовать устойчивому развитию и защите окружающей среды.Most of the discussions around the phenomenon of the Internet of Things (IoT) usually boils down to those potential benefits for the business and to those amenities for users that provide intelligent devices and objects that surround us daily. However, how the Internet of things and the industrial Internet of things (M2M - machine-to-machine), that is, the wireless transmission of data and information between devices and objects, can have a beneficial effect on our lives and will contribute to sustainable development and the protection of the environment on the planet

Исследование и разработка гистерезисных электрических машин на основе деформируемого сплава Fe-Cr-Co

В ходе научно-квалификационной работы исследован материал ротора синхронного гистерезисного двигателя (СГД) из сплава 22Х15КА ГОСТ 24897-81. Получены динамические магнитные характеристики сплава на частотах перемагничивания от 50 Гц до 2 кГц. Представлены результаты исследования СГД в программной среде AnsysMaxwell 2D/3D.In the course of the scientific and qualifying work, the rotor material of the synchronous hysteresis motor from alloy 22Х15КА GOST 24897-81 was investigated. Dynamic magnetic characteristics of the alloy at the magnetization reversal frequencies from 50 Hz to 2 kHz are obtained. The results of the study of a synchronous hysteresis motor in the software environment of AnsysMaxwell 2D / 3D are presented

Atomic and Electronic Structures of Unreconstructed Polar MgO(111) Thin Film on Ag(111)

Atomic and electronic structures of a polar surface of MgO formed on Ag(111) was investigated by using reflection high energy electron diffraction (RHEED), Auger electron spectroscopy, electron energy loss spectroscopy (EELS), and ultraviolet photoemission spectroscopy (UPS). A rather flat unreconstructed polar MgO(111) 1$\times$1 surface could be grown by alternate adsorption of Mg and O$_{2}$ on Ag(111). The stability of the MgO(111) surface was discussed in terms of interaction between Ag and Mg atoms at the interface, and charge state of the surface atoms. EELS of this surface did not show a band gap region, and finite density of states appeared at the Fermi level in UPS. These results suggest that a polar MgO(111) surface was not an insulating surface but a semiconducting or metallic surface.Comment: 6 figures, to be published in Phys. Rev.

Combined surface science and density functional theory approach towards water ordered structures formation on magnetite

Three different adsorbed water species were distinguished on Fe-terminated Fe3O4 multilayer films using thermal desorption spectroscopy (TDS), and ultraviolet photoelectron spectroscopy (UPS) measured under adsorption-desorption equilibrium conditions [1]. By means of density functional theory (DFT) calculations, the first species (-water) were confirmed to correspond to dissociative water adsorption with the resulting hydroxyl (OH) groups of water on the surface iron (Fe) sites, and the hydrogen (H) atoms adsorbed onto surface oxygen (O) sites. The DFT results for the -water structure are consistent with the two OH-stretch lines observed by infrared-reflection-absorption-spectroscopy (IRAS) [2], and the UPS study [1]. The DFT calculations confirm the subsequent formation of dimeric water structures (-water) formed by H-bonded molecular water to the surface OH-groups on surface-Fe, and the H on the surface-O sites, respectively, as suggested by IRAS [2] and low energy electron diffraction (LEED) experiments [1]. The DFT results reveal that formation of the -water overlayer structure results from the diffusion of the mobile H-atoms from the initially molecular adsorbed water molecules on iron sites followed by formation of a transition structure with the H-atom adsorbed on nearest-neighboring oxygen sites, diffusing over the surface to adsorb on-top onto the next O-sites. This result is consistent with the proposed second-order kinetics of the recombinative adsorption process [1]. 1. Y. Joseph et. al., J. Phys. Chem. B 104, 3224 (2000). 2. U. Leist et al., Phys. Chem. Chem. Phys. 5, 2435 (2003)

Normal Values of Circulating IGF-I Bioactivity in the Healthy Population: Comparison with five widely used IGF-I immunoassays

Background: IGF-I immunoassays are primarily used to estimate IGF-I bioactivity. Recently, an IGFI specific Kinase Receptor Activation Assay (KIRA) has been developed as an alternative method. However, no normative values have been established for the IGF-I KIRA. Objective: To establish normative values for the IGF-I KIRA in healthy adults. Design: Cross-sectional study in healthy non-fasting blood donors. Study participants: 426 healthy individuals (310 M, 116 F; age range: 18 – 79 yrs) Main outcome Measures: IGF-I bioactivity determined by the KIRA. Results were compared with total IGF-I, measured by five different IGF-I immunoassays. Results: Mean (± SD) IGF-I bioactivity was 423 (± 131) pmol/L and decreased with age (β = -3.4 pmol/L/yr, p < 0.001). In subjects younger than 55 yrs mean IGF-I bioactivity was significantly higher in women than in men. Above this age this relationship was inverse, suggesting a drop in IGF-I bioactivity after menopause. This drop was not reflected in total IGF-I levels. IGF-I bioactivity was significantly related to total IGF-I (rs varied between 0.46 – 0.52; P-values < 0.001). Conclusions: We established age-specific normative values for the IGF-I KIRA. We observed a significant drop in IGF-I bioactivity in women between 50 and 60 years, which was not perceived by IGF-I immunoassays. The IGF-I KIRA, when compared to IGF-I immunoassays, theoretically has the advantage that it measures net effects of IGF-binding proteins on IGF-I receptor activation. However, it has to be proven whether information obtained by the IGF-I KIRA is clinically more relevant than measurements obtained by IGF-I immunoassays

Surface structure and water adsorption on Fe₃O₄(111): Spin-density functional theory and on-site Coulomb interactions

The surface structure of magnetite Fe3O4(111) in contact with oxygen and water is investigated using spin density functional theory plus on-site Coulomb interactions. The present results unravels apparent contradictions in the experimental data regarding the equilibrium stoichiometry of the bare surface termination. Both for 298 K and 1200 K, the equilibrium structure is terminated by 1/4 monolayer (ML) of iron (Fe) on top of a full oxygen layer, consistent with an earlier low-energy electron diffraction analysis. Nontheless, the calculated negative slope of the surface energies vs oxygen partial pressure shows that a 1/2 ML Fe termination would become stable under oxygen poor conditions at high temperatures, in agreement to interpretation of scanning tunneling microscopy experiments. Initial water adsorption is dissociative and saturates when all Fe sites are occupied by OH groups while the H atoms bind to surface oxygen. Further water bridges the OH and H groups resulting in a quite unique type of H-bonded molecular water with its oxygen forming a hydronium ion like structure OH3+-OH. This water structure is different from the water dimeric structures found as yet on oxide and metal surfaces for partially dissociated (H2O-OH-H) overlayers

Prediction models for short children born small for gestational age (SGA) covering the total growth phase. Analyses based on data from KIGS (Pfizer International Growth Database)

<p>Abstract</p> <p>Background</p> <p>Mathematical models can be developed to predict growth in short children treated with growth hormone (GH). These models can serve to optimize and individualize treatment in terms of height outcomes and costs. The aims of this study were to compile existing prediction models for short children born SGA (SGA), to develop new models and to validate the algorithms.</p> <p>Methods</p> <p>Existing models to predict height velocity (HV) for the first two and the fourth prepubertal years and during total pubertal growth (TPG) on GH were applied to SGA children from the KIGS (Pfizer International Growth Database) - 1^styear: N = 2340; 2^ndyear: N = 1358; 4^thyear: N = 182; TPG: N = 59. A new prediction model was developed for the 3^rdprepubertal year based upon 317 children by means of the all-possible regression approach, using Mallow's C(p) criterion.</p> <p>Results</p> <p>The comparison between the observed and predicted height velocity showed no significant difference when the existing prediction models were applied to new cohorts. A model for predicting HV during the 3^rdyear explained 33% of the variability with an error SD of 1.0 cm/year. The predictors were (in order of importance): HV previous year; chronological age; weight SDS; mid-parent height SDS and GH dose.</p> <p>Conclusions</p> <p>Models to predict growth to GH from prepubertal years to adult height are available for short children born SGA. The models utilize easily accessible predictors and are accurate. The overall explained variability in SGA is relatively low, due to the heterogeneity of the disorder. The models can be used to provide patients with a realistic expectation of treatment, and may help to identify compliance problems or other underlying causes of treatment failure.</p

Structural feature based computational approach of toxicity prediction of ionic liquids: Cationic and anionic effects on ionic liquids toxicity

yesThe density functional theory (DFT) based a unique model has been developed to predict the toxicity of ionic liquids using structural-feature based quantum chemical reactivity descriptors. Electrophilic indices (ω), the energy of highest occupied (EHOMO) and lowest unoccupied molecular orbital, (ELUMO) and energy gap (∆ E) were selected as the best toxicity descriptors of ILs via Pearson correlation and multiple linear regression analyses. The principle components analysis (PCA) demonstrated the distribution and inter-relation of descriptors of the model. A multiple linear regression (MLR) analysis on selected descriptors derived the model equation for toxicity prediction of ionic liquids. The model predicted toxicity values and mechanism are very consistent with observed toxicity. Cationic and side chains length effect are pronounced to the toxicity of ILs. The model will provide an economic screening method to predict the toxicity of a wide range of ionic liquids and their toxicity mechanism