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AB INITIO STUDY OF SILVER NANOPARTICLES, GRAIN BOUNDARIES AND THEIR \nQUADRUPLE JUNCTIONS
Polsterová, S. ; Všianská, Monika ; Friák, Martin ; Pizúrová, Naděžda ; Sokovnin, S. ; Šob, Mojmír
Motivated by our experimental research related to silver nanoparticles with various morphologies, we have employed quantum-mechanical calculations to provide our experiments with theoretical insight. We have computed properties of a 181-atom decahedral silver nanoparticle and two types of internal extended defects, -5(210) grain boundaries (GBs) and quadruple junctions (QJs) of these GBs. We have employed a supercell approach with periodic boundary conditions. Regarding the thermodynamic stability of the decahedral nanoparticle, its energy is higher than that of a defect-free face-centered cubic (fcc) Ag by 0.34 eV/atom. As far as the -5(210) GB is concerned, its energy amounts to 0.7 J/m2 and we predict that the studied GBs would locally expand the volume of the lattice. Importantly, the system with GBs is found rather close to the limit of mechanical stability. In particular, the computed value of the shear-related elastic constant C66 is as low as 9.4 GPa with the zero/negative value representing a mechanically unstable system. We thus predict that the -5(210) GBs may be prone to failure due to specific shearing deformation modes. The studied GBs have also the value of Poisson’s ratio for some loading directions close to zero. Next, we compare our results related solely to -5(210) GBs with those of a system where multiple intersecting -5(210) GBs form a network of quadruple junctions. The value of the critical elastic constant C66 is higher in this case, 13 GPa, and the mechanical stability is, therefore, better in the system with QJs.
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Structural and magnetic properties of Fe-oxide layers prepared by inkjet printing on Si-substrate
Zažímal, František ; Svoboda, T. ; Dzik, P. ; Homola, T. ; Jirásková, Yvonna
Magnetic films with two, four, six, and eight layers were prepared using 2D inkjet printing on the 333 K heated Si-substrates at ambient conditions. The microstructure, phase composition of layers, and magnetic studies were investigated using wide spectrum of experimental methods with the aim to find the optimal conditions for producing magnetic sensors by digital printing technology in the near future. As the magnetic compound, the hematite powder was chosen and its milling with Si-binder dissolved in dowanol using glass balls and vial to prevent contamination was done to prepared suspension appropriate for printing. It is shown that hematite transformed markedly into maghemite, thus the layers consisted of small amount hematite and dominant maghemite phases determining the magnetic properties. From the viewpoint of magnetic behavior, the highest saturation magnetization and the lowest coercivity was obtained at the sample with 8 layers.
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WE43 BIOCOMPATIBLE ALLOY AFTER SEVERE PLASTIC DEFORMATION: STRUCTURE CHARACTERIZATION
Kunčická, Lenka ; Král, Petr ; Dvořák, Jiří ; Kocich, R.
The report presents results of the analyses of biocompatible WE 43 Mg-based alloy processed by friction stir processing (FSP) at two different rotational speeds of 400 RPM, and 1200 RPM. The structures were observed by scanning electron microscopy (SEM), electron backscattered diffraction (EBSD). Observations were primarily focused on characterizations of grains and textures, supplementary testing of mechanical properties was performed via tensile tests. The results of low angle grain boundaries fractions and grain sizes showed that both the processing methods led to significant grain refinement and recrystallization, the average grain diameter within the 1200 RPM sample was less than 2 μm. Texture observations showed slight tendencies of the grains to align in the {0001}〈101̅0〉 and {0001}〈112̅0〉 preferential orientations, however, the maximum intensities were only about two times random. Supplementary tensile tests confirmed the positive effects of FSP on structures and properties of both the samples.
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PHASE COMPOSITION OF CHOSEN Mg-BASED MATERIALS DURING HYDROGEN SORPTION
Čermák, Jiří ; Král, Lubomír ; Roupcová, Pavla
Phase transformation during hydrogen sorption was investigated in ten chosen magnesium-based hydrogen storage (HS) materials. Chemical composition of the materials consisted of Mg, as a principal hydrogen-binding element, additive X and amorphous carbon (CB), as an anti-sticking component. In order to assess the effect of X itself upon the structure, values of concentration of both X and CB were fixed to about 12 wt. %. The influence of X = Mg2Si, Mg2Ge, Mg17Al12, Mg5Ga2, NaCl, LiCl, NaF, LiF and two combinations Ni+Mg17Al12 and Ni+Mg2Si upon the changes in phase composition was tested. Phase content in HS materials was observed (i) after the intensive ball milling (BM), (ii) after the BM followed by hydrogen charging at 623 K and (iii) after the BM and one hydrogen charging/discharging cycle (C/D) at temperature 623 K. The study was carried out by SEM and XRD. It was found that, the C/D is approximately structurally reversible for X = Mg2Ge, Mg17Al12, NaF and LiF. However, additives X = Mg17Al12 and NaF decompose already during the BM. In alloys with combination of Ni with Mg17Al12, new phases NimAln are formed. Phase composition changed during C/D for X = Mg2Si Mg5Ga2 and Ni+Mg2Si due to equilibration of phases composition. Observed structure changes of HS materials with chloride ionic additives NaCl and LiCl are, most likely caused by the relatively strong affinity between Mg and Cl. Hydrogen storage capacity of all studied alloys was 6.0 +/- 0.3 wt. % H-2.
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Effect of casting conditions and heat treatment on high temperature low cycle fatigue performance of nickel superalloy Inconel 713LC
Šulák, Ivo ; Obrtlík, Karel ; Hrbáček, Karel
The present work is focused on the study of high temperature low cycle fatigue behaviour of Inconel 713LC produced by a vibratory investment casting (VIC) in as-cast conditions and in the condition after heat treatment (HT) consisting of hot isostatic pressing (HIP) followed by precipitation hardening. Low cycle fatigue tests were carried out on cylindrical specimens in symmetrical push-pull cycle under strain control with constant total strain amplitude and strain rate at 800 °C in air. Hardening/softening curves and fatigue life curves of both materials were assessed and compared with data of Inconel 713LC produced by a conventional investment casting (CIC). Cyclic hardening can be observed in the high amplitude domain while saturated stress response is apparent for low amplitude cycling for all material batches. Data presented in Basquin representation show an increase in fatigue life of both VIC batches compared to the CIC batch, however, no effect of HT on fatigue life of Inconel 713LC produced by VIC was observed. In contrast, the heat treated Inconel 713LC demonstrates slightly higher fatigue life in Coffin-Manson representation. The microstructure of both superalloys was studied by means of scanning electron microscopy (SEM). The microstructure of superalloy is characterized by dendritic grains with casting defects. It comprises the γ matrix, cubic γ´ precipitates, eutectics and carbides. The effect of the VIC and HT on fatigue performance and microstructure of Inconel 713LC is discussed.
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DETEKCE PORUCH POMOCÍ AKUSTICKÉ EMISE (AE) V PODMÍNKÁCH VYSOKOTEPLOTNÍHO CREEPU
Dvořák, Jiří ; Sklenička, Václav ; Král, Petr ; Kvapilová, Marie ; Svobodová, M. ; Šifner, J. ; Koula, V.
Současné aplikace akustické emise (AE) jsou přednostně orientovány na průběžný monitoring provozu strojních komponent. AE je perspektivní nedestruktivní metodou pro včasnou predikci a identifikaci poruch materiálu dříve než dojde k havárii sledovaných zařízení. Příspěvek analyzuje naměřená data a rozbor signálů na úrovni jednotlivých emisních událostí v průběhu creepové zkoušky mědi na základě výsledků předchozí mikrostrukturní a fraktografické analýzy jejího creepového porušení a lomu. Cílem modelové studie je přispět k úspěšné aplikaci AE pro reálné provozní komponenty energetických zařízení a tím ke zvýšení jejich provozní bezpečnosti.
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HYDROGEN SORPTION IN ORDERED Mg-In ALLOYS
Čermák, Jiří ; Král, Lubomír ; Roupcová, Pavla
Hydrogen storage (HS) performance of three Mg- x In- y CB alloys (CB - amorphous carbon, x = 55, 64, 73 y =\n10 wt%) was studied. Indium concentration covered an area of ordered β structures. Alloys were prepared by\nball-milling in hydrogen atmosphere. Kinetic curves and PCT isotherms were measured in the temperature\ninterval from 200 °C to 325 °C. X-ray diffraction spectroscopy (XRD) was used for structure investigation. Alloy\nwith x = 73 wt% In ( β ’’ structure) showed reversible amorphization during temperature cycling between about\n100 °C and 350 °C. Hydrogen sorption experiments were done by the Sieverts method under the hydrogen\ngas pressure ranging from 0.1 MPa to 2.5 MPa. It was found that hydrogen sorption capacity varied between\n0.47 and 1.1 wt% H 2 . Hydride formation enthalpy ∆H calculated from desorption PCT experiments was\nsignificantly lower than ∆H , known for pure Mg. This invoked an idea that atomic order of Mg-based HS\nmaterials might decrease the high thermodynamic stability of hydride phase.
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CALIBRATION FUNCTIONS FOR EDGE CRACKS UNDER SELECTED BENDING LOADS.\n\n
Seitl, Stanislav ; Miarka, Petr
Fatigue cracks are found during the regular structural inspections. To precisely\ndescribe/suggest of fatigue cracks propagation throughout structure and for designed\nservice life, the knowledge of calibration functions is important. The cracks usually\npropagate from the edge or the surface of the structural element. The theoretical model\nof fatigue crack propagation is based on linear fracture mechanics (Paris law). Steel\nstructural elements are subjected to various bending load (three- and four-point bending,\npure bending etc.). The calibration functions for the edge cracks are calculated for\nvarious load and appropriate polynomial function independent on the distance are\nproposed for 3PB and 4PB load.
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