Crystal nucleation and cluster-growth kinetics in a model glass under shear

Crystal nucleation and growth processes induced by an externally applied shear strain in a model metallic glass are studied by means of nonequilibrium molecular dynamics simulations, in a range of temperatures. We observe that the nucleation-growth process takes place after a transient, induction regime. The critical cluster size and the lag-time associated with this induction period are determined from a mean first-passage time analysis. The laws that describe the cluster growth process are studied as a function of temperature and strain rate. A theoretical model for crystallization kinetics that includes the time dependence for nucleation and cluster growth is developed within the framework of the Kolmogorov-Johnson-Mehl-Avrami scenario and is compared with the molecular dynamics data. Scalings for the cluster growth laws and for the crystallization kinetics are also proposed and tested. The observed nucleation rates are found to display a nonmonotonic strain rate dependency

Electron paramagnetic resonance of Gd3+ ions in Ca1-x-yYxGdyF2+x+y crystals

Electron paramagnetic resonance of Ca1-x-yYxGdyF2+x+y single crystals has revealed spectra that are not typical of gadolinium-doped CaF2 crystals. These spectra have a nearly tetragonal symmetry and are most probably caused by Gd3+ ions localized in yttrium clusters. Weak spectra of tetragonal Gd3+ centers, whose parameters are close to those of a cubic gadolinium center caused by an isolated Gd3+ ion, have been also detected. These centers are attributed to isolated Gd3+ ions localized near octahedral rare-earth clusters or their associations. © 2013 Pleiades Publishing, Ltd

dimer paramagnetic centers in lead germanate crystals doped with iron and halogen (Cl-, Br-, F-) ions

The dimer complexes Fe3+-Cl-, Fe3+-Br-, and Fe3+-O2- in ferroelectric lead germanate crystals doped with iron and annealed in chlorine-, bromine-, and fluorine-containing atmospheres have been studied using the electron paramagnetic resonance method. These complexes are formed by Fe3+ ions in the trigonal position of lead and their associated anions located in the interstitial channel of the structure. The positions of the charge-compensating anions in the channel have been discussed based on the analysis of the parameters of the spin Hamiltonian and their temperature dependence. © 2013 Pleiades Publishing, Ltd

Bionic models for identification of biological systems

This article proposes a clinical decision support system that processes biomedical data. For this purpose a bionic model has been designed based on neural networks, genetic algorithms and immune systems. The developed system has been tested on data from pregnant women. The paper focuses on the approach to enable selection of control actions that can minimize the risk of adverse outcome. The control actions (hyperparameters of a new type) are further used as an additional input signal. Its values are defined by a hyperparameter optimization method. A software developed with Python is briefly described

Superconductivity in Nanostructured Ga-Ag Eutectic Alloy

The dc and ac magnetizations were studied for the eutectic Ga-Ag alloy embedded into a porous glass with 7 nm mean pore size. The measurements were performed within a temperature range of 1.9 to 10 K which covers the superconducting transition for the nanocomposite. The onset of superconductivity at the magnetic field 10 Oe was found at about 7.1 K which is much higher than in bulk gallium. The phase diagram showed a positive curvature at low magnetic fields. The activation energy of vortex mobility was calculated at different magnetic fields using the ac data.     Keywords: Ga-Ag eutectic alloy, superconductivity, nanoconfinemen

Р-стереогенні діамандоїдні фосфіни

Despite diamondoid phosphines have found many synthetic applications and are even available commercially the chemistry of chiral diamondoid phosphines remains largely unexplored.Aim. To develop the convenient preparative method for the preparation of sterically-congested P-stereogenic secondary diamodoidyl phosphines as potential organocatalysts and ligands in the asymmetric synthesis.Results and discussion. A convenient method for the synthesis of P-stereogenic diamondoid phosphines with high yields through the phosphorylation of hydroxydiamondoids in trifluoroacetic acid followed by the reduction of the corresponding asymmetric chlorophosphonates has been proposed. The secondary phosphines obtained form stable complexes with borane that can be used to separate diamondoid phosphines into enantiomers.Experimental part. The experimental procedures for the preparation of 1- and 4-diamantyl-1-adamantyl- and phenylphosphines were developed; the structures of new compounds were confirmed by NMR and HRMS spectral data.Conclusions. A number of P-stereogenic mixed diamondoidylaryl phosphines and the secondary phosphines containing exclusively diamondoid substituents has been prepared. A degree of steric bulkiness is determined by the combination of diamondoid substituents around a phosphorus atom where 1-diamantyl derivatives are the most sterically-congested. The compounds obtained are potential ligands in asymmetric catalysis.Received: 31.03.2020Revised: 24.06.2020Accepted: 27.08.2020Незважаючи на те, що діамандоїдні фосфіни широко використовуються в органічному синтезі і навіть доступні комерційно, хімія хіральних діамандоїдних фосфінів залишається не дослідженою.Мета. Розробити зручний препаративний метод синтезу стереоускладнених Р-стереогенних вторинних діамандоїдних фосфінів, які можуть бути використані як ліганди в асиметричному синтезі, а також як органокаталізатори.Результати та їх обговорення. Запропоновано зручний метод синтезу P-стереогенних діамандоїдних фосфінів шляхом фосфорилювання гідроксипохідних діамандоїдів у трифтороцтовій кислоті з подальшим відновленням відповідних асиметричних хлорофосфонатів з високими виходами. Одержані таким чином фосфіни утворюють стійкі комплекси з бораном, які розглядаються як проміжні сполуки для подальшого розділення енантіомерів.Експериментальна частина. Був розроблений препаративний метод синтезу 1- і 4-діамантил-, 1-адамантил- і фенілфосфінів, структури яких підтверджено мас-спектрометричними і ЯМР-спектральними даними.Висновки. Одержано ряд Р-стереогенних змішаних діамандоїларилфосфінів та вторинних фосфінів, які містять виключно діамандоїдні замісники. Ступінь стеричного навантаження сполук визначається комбінацією діамандоїдних замісників навколо атома фосфору, де похідні 1-діамантилу найбільш стерично ускладнені. Одержані сполуки є потенційними лігандами в асиметричному каталізі.Received: 31.03.2020 Revised: 24.06.2020 Accepted: 27.08.202

Temperature Evolution of Sodium Nitrite Structure in a Restricted Geometry

The NaNO$_{2}$ nanocomposite ferroelectric material in porous glass was studied by neutron diffraction. For the first time the details of the crystal structure including positions and anisotropic thermal parameters were determined for the solid material, embedded in a porous matrix, in ferro- and paraelectric phases. It is demonstrated that in the ferroelectric phase the structure is consistent with bulk data but above transition temperature the giant growth of amplitudes of thermal vibrations is observed, resulting in the formation of a "premelted state". Such a conclusion is in a good agreement with the results of dielectric measurements published earlier.Comment: 4 pages, 4 figure

Aproximación integral a la evaluación del progreso hacia la sostenibilidad

Traducción: Patricia M. Bartol de lmbachVersión en inglés disponible en la Biblioteca Digital del IDRC: Community-based indicators : a guide for field workers carrying out monitoring and assessment at the community levelVersión en francés disponible en la Biblioteca Digital del IDRC: Indicateurs communautaires : guide à l'intention des travailleurs sur le terrain faisant des travaux de contrôle et d'évaluation communautaire

Comparative assessment of the diagnostic value of echocardiography and magnetic resonance imaging in determining myocardial viability

Aim. To compare myocardial imaging methods in patients with complicated coronary artery disease with significantly decreased myocardial contractility.Material and methods. This single-center retrospective study included 109 patients with complicated coronary artery disease who underwent surgical treatment between 2014 and 2020. All patients had indications for delayed contrast-enhanced cardiac magnetic resonance imaging (MRI) in order to determine myocardial viability due to a pronounced decrease in left ventricular contractility according to echocardiography (ejection fraction (EF) ≤30%).Results. Impairment of local contractility according to MRI and echocardiography significantly correlates with depth of contrast accumulation (p=0,0000000018 and p=0,0000034, respectively). Delayed contrast-enhanced cardiac MRI with cine sequences allows to determine higher number of impaired contractility cases compared with echocardiography (p=0,000006).Conclusion. MRI with cine sequence allowed to determine higher number of impaired contractility cases compared with echocardiography. Delayed contrastenhanced MRI is a reliably more sensitive method than electrocardiography in detecting left ventricular scarring. The depth of contrast agent accumulation correlates with local contractility impairment detected by echocardiography and delayed contrast-enhanced cardiac MRI