Impact of d-states on transition metal impurity diffusion in TiN.

In this work, we studied the energetics of diffusion-related quantities of transition-metal impurities in TiN, a prototype ceramic protective coating. We use ab-initio calculations to construct a database of impurity formation energies, vacancy-impurity binding energies, migration, and activation energies of 3d and selected 4d and 5d elements for the vacancy-mediated diffusion process. The obtained trends suggest that the trends in migration and activation energies are not fully anti-correlated with the size of the migration atom.

Metals and Trace Elements in Calcified Valves in Patients with Acquired Severe Aortic Valve Stenosis: Is There a Connection with the Degeneration Process?

Background: Acquired calcified aortic valve stenosis is the most common valve disease in adulthood. In the etiopathogenesis of this complex pathology, the importance of inflammation is mentioned, in which non-infectious influences represented by the biological effects of metal pollutants may participate. The main goal of the study was to determine the concentration of 21 metals and trace elements-aluminium (Al), barium (Ba), cadmium (Cd), calcium (Ca), chrome (Cr), cobalt (Co), copper (Cu), gold (Au), lead (Pb), magnesium (Mg), mercury (Hg), molybdenum (Mo), nickel (Ni), phosphorus (P), selenium (Se), strontium (Sr), sulfur (S), tin (Sn), titanium (Ti), vanadium (V) and zinc (Zn)-in the tissue of calcified aortic valves and to compare them with the concentrations of the same elements in the tissue of healthy aortic valves in the control group.

Localization versus delocalization of d-states within the [Formula: see text]MnGa Heusler alloy.

We present calculations based on density-functional theory with improved exchange-correlation approaches to investigate the electronic structure of [Formula: see text]MnGa magnetic shape memory alloy prototype. We study the effects of hybrid functionals as well as a Hubbard-like correction parameter U on the structural, electronic and magnetic properties of the alloy. We show that the previously successful application of U on Mn should be extended by including U on Ni to describe the d localized electrons more accurately and in better agreement with experiments.

Impact of interstitial elements on the stacking fault energy of an equiatomic CoCrNi medium entropy alloy: theory and experiments.

We investigated the effects of interstitial N and C on the stacking fault energy (SFE) of an equiatomic CoCrNi medium entropy alloy. Results of computer modeling were compared to tensile deformation and electron microscopy data. Both N and C in solid solution increase the SFE of the face-centered cubic (FCC) alloy matrix at room temperature, with the former having a more significant effect by 240% for 0.

Magnetic and Magneto-Optical Properties of FeMnGa Heusler-like Compounds.

FeMnGa Heusler-like compounds were investigated in a wide range of Fe/Ga ratios while keeping the Mn content constant and equal 25 at% in order to elucidate the interplay between magnetic properties and composition. Materials were prepared by arc-melting from pure elements and subsequently annealed. Experimental investigations were focused on magnetization behavior in a wide temperature range from 4 to 1000 K and magnetic field up to 9 T.

An Ab Initio Study of Connections between Tensorial Elastic Properties and Chemical Bonds in Σ5(210) Grain Boundaries in Ni₃Si.

Using quantum-mechanical methods we calculate and analyze (tensorial) anisotropic elastic properties of the ground-state configurations of interface states associated with Σ 5(210) grain boundaries (GBs) in cubic L1 2 -structure Ni 3 Si. We assess the mechanical stability of interface states with two different chemical compositions at the studied GB by checking rigorous elasticity-based Born stability criteria. In particular, we show that a GB variant containing both Ni and Si atoms at the interface is unstable with respect to shear deformation (one of the elastic constants, C 55 , is negative).

Low temperature a/b nanotwins in NiMnGa Heusler alloys.

We have found low temperature a/b nanotwins having (110) twinning plane in a five-layered modulated martensite phase of NiMnGa (at. %) Heusler alloys and identified the particular region in phase diagram where the nanotwinning occurs. Evolution of the structure with decreasing temperature was studied by X-ray diffraction using single crystals exhibiting magnetic shape memory effect.

Transformation Paths from Cubic to Low-Symmetry Structures in Heusler NiMnGa Compound.

In order to explain the formation of low-temperature phases in stoichiometric NiMnGa magnetic shape memory alloy, we investigate the phase transformation paths from cubic austenite with Heusler structure to low-symmetry martensitic structures. We used ab initio calculations combined with the generalized solid state nudged elastic band method to determine the minimum energy path and corresponding changes in crystal lattice. The four-, five-, and seven-layered modulated phases of martensite (4O, 10M, and 14M) are built as the relaxed nanotwinned non-modulated (NM) phase.

[Identification of an Unknown Person through the Bone Implant].

It is always a big challenge to identify unknown dead persons. All the more so if their body is found decomposed beyond recognition by effects of the environment and decay. Usually, layman and forensic methods (e.

[Oncology secrets of suddenly deceased individuals].

Malignant neoplasms represent the second most common cause of death in men and women in the Czech Republic after cardiovascular diseases. The incidence, prevalence and mortality is recorded in the Czech National Cancer Registry. The most recent data available is from 2013, in this year there were 81 541 patients newly diagnosed with cancer and 26 944 people died of cancer.

Secondary Students' Writing Achievement Goals: Assessing the Mediating Effects of Mastery and Performance Goals on Writing Self-Efficacy, Affect, and Writing Achievement.

The two studies reported here explored the factor structure of the newly constructed Writing Achievement Goal Scale (WAGS), and examined relationships among secondary students' writing achievement goals, writing self-efficacy, affect for writing, and writing achievement. In the first study, 697 middle school students completed the WAGS. A confirmatory factor analysis revealed a good fit for this data with a three-factor model that corresponds with mastery, performance approach, and performance avoidance goals.

Tensorial elastic properties and stability of interface states associated with Σ5(210) grain boundaries in Ni(Al,Si).

Grain boundaries (GBs) represent one of the most important types of defects in solids and their instability leads to catastrophic failures in materials. Grain boundaries are challenging for theoretical studies because of their distorted atomic structure. Fortunately, quantum-mechanical methods can reliably compute their properties.

[Experimental stab wound].

Stab wounds caused by knives and daggers are usually of different appearances. The knife wound has one edge sharp while the second one is blunt. The wound caused by blow of dagger has both edges sharp.

[The correlation of results of breath analysers and laboratory blood examinations of blood-ethanol concentration (Czech and Slovak study)].

The target of this study was to compare the results of breath analysers and "lege artis" laboratory blood examinations when determining alcohol levels. This was then used to determine whether any differences exist between the two methods, and how large these differences are. 610 cases from 11 workplaces in the Czech Republic and Slovakia were analysed.

[Impact of acute alcoholism on the women's mortality in the northern region of Slovak Republic].

Problem of women's alcoholism doesn't belong among main topics of Slovak or Czech public discussions. Though everyone meeting the phenomenon of women's alcoholism can feel the fatal consequences of this mistake, our society used to perceive alcoholism as a men's problem. The authors performed the complex analysis of the mortuary files with particular focusing on the cases of women's deaths caused by alcohol intoxication, and the cases of deaths where an alcohol played the dominating role, in the northern regions of Slovak republic.

[B0 aberrant genotype of AB0 blood group system].

The AB0 blood group system typing remains one of the basic laboratory tasks in a forensic practice. However, problems arise when the analysed samples are seriously degraded. The DNA analysis promised to solve this but an unexpected complication was encountered.

[Determination of AB0 blood group system from degraded blood stains on serological and molecular genetic level].

The AB0 blood group system typing remains one of the basic laboratory tasks in a forensic practice. However, problems arise when the analysed samples are seriously degraded. We took blood samples from six volunteers (three men, three women) and made blood stains on pieces of sterile cotton cloth.

Distinct apolipoprotein E isoform preference for inhibition of smooth muscle cell migration and proliferation.

The current study compared the effectiveness of the various human apolipoprotein E (apoE) isoforms in inhibiting platelet-derived growth factor- (PDGF-) stimulated smooth muscle cell proliferation and migration. The incubation of primary mouse aortic smooth muscle cells with apoE3 resulted in dose-dependent inhibition of smooth muscle cells stimulated by 10 ng/mL PDGF. Greater than 50% inhibition of smooth muscle cell proliferation was observed at 15 microg/mL of human apoE3.

[Findings in the detection of fibronectin in skin burns].

Occurrence of fibronectin was detected in paraffin sections of burn skin samples, excised from surviving patients, as well as skin samples removed from the death persons, who succumbed burn wounds. The other groups of samples, used for comparison with the previous one, consisted of the intact skin excisions and skin samples post-mortem exposed to thermic changes. Indirect immunoperoxidase reaction was the immunohistochemical method used in all examinations.

[Effect of Stopangin mouth spray on blood alcohol levels measured by the Alcotest 7410 analyser made by Drager].

During a check-up of a driver by a police patrol in the Czech Republic by means of a breath analyzer of Dräger Co. an alcohol blood level of 0.50 g/kg was assessed.

[Iatrogenic injuries of the facial nerve in the mastoid region].

During the past ten years nine patients were referred to our hospital with lesions of the VIIth nerve. These lesions were inflicted during operation on account of chronic otitis media. One patient recovered after conservative treatment.