71 research outputs found
Mobile Client for a Restaurant Information System
Tato diplomová práce se zabývá analýzou informačního systému pro podporu provozu restaurace od firmy Keloc CS s.r.o. Dalším cílem je navrhnout a implementovat jeho varianty pro mobilní platformu Android na zařízení typu tablet. Součástí analýzy modulu Restaurace je pohled na funkce IS včetně možností uživatelské customizace. Pozornost je věnována i implementaci a návrhu databáze.This master’s thesis analyze the information system for a restaurant business support by Keloc CS company. There are design and implementation of mobile version for Android tablet platform. Analysis of Restaurant module is about functions of IS and customization options. Attention is focused on implementation and database design.
On energetics of allotrope transformations in transition-metal diborides via plane-by-plane shearing
Transition metal diborides crystallise in the , , or
type structure, in which pure transition metal layers alternate with pure boron
layers stacked along the hexagonal [0001] axis. Here we view the prototypes as
different stackings of the transition metal planes and suppose they can
transform from one into another by a displacive transformation. Employing
first-principles calculations, we simulate sliding of individual planes in the
group IV-VII transition metal diborides along a transformation pathway
connecting the , , and structure. Chemistry-related
trends are predicted in terms of energetic and structural changes along a
transformation pathway, together with the mechanical and dynamical stability of
the different stackings. Our results suggest that MnB and MoB possess
the overall lowest sliding barriers among the investigated TMBs.
Furthermore, we discuss trends in strength and ductility indicators, including
Young's modulus or Cauchy pressure, derived from elastic constants.Comment: 12 pages, 6 figures, accepted for publication in Vacuum, before proo
Transformation Paths from Cubic to Low-Symmetry Structures in Heusler Ni2MnGa Compound
In order to explain the formation of low-temperature phases in stoichiometric Ni2MnGa 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. Despite having a total energy larger than the other martensitic phases, the 10M phase will spontaneously form at 0 K, because there is no energy barrier on the path and the energy decreases with a large negative slope. Moreover, a similar negative slope in the beginning of path is found also for the transformation to the 6M premartensite, which appears as a local minimum on the path leading further to 10M martensite. Transformation paths to other structures exhibit more or less significant barriers in the beginning hindering such a transformation from austenite. These findings correspond to experiment and demonstrates that the kinetics of the transformation is decisive for the selection of the
particular low-symmetry structure
An Ab Initio Study of Connections between Tensorial Elastic Properties and Chemical Bonds in Sigma5(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 Sigma5(210) grain boundaries (GBs) in cubic L12-structure Ni3Si. 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, C55, is negative). This instability is found for a rectangular-parallelepiped supercell obtained when applying standard coincidence-lattice construction. Our elastic-constant analysis allowed us to identify a shear-deformation mode reducing the energy and, eventually, to obtain mechanically stable ground-state characterized by a shear-deformed parallelepiped supercell. Alternatively, we tested a stabilization of this GB interface state by Al substituents replacing Si atoms at the GB.We further
discuss an atomistic origin of this instability in terms of the crystal orbital Hamilton population (COHP) and phonon dispersion calculations. We find that the unstable GB variant shows a very strong interaction between the Si atoms in the GB plane and Ni atoms in the 3rd plane off the GB interface. However, such bond reinforcement results in weakening of interaction between the Ni atoms in the 3rd plane and the Si atoms in the 5th plane making this GB variant mechanically unstable
Kelainan Peak Expiratory Flow Rate Dibandingkan dengan Keluhan Sistim Pernapasan – studi pada 75 anggota pasukan kuning, Surabaya
Telah dilakukan kajian untuk membandingkan hasil pemeriksaan faal paru Peak Expiratory Flow Rate (PEFR) dalam mendeteksi kelainan paru obstruktif dengan anamnesis adanya keluhan batuk, pengeluaran dahak, sesak nafas dan nafas berbunyi. Sebagai subyek penelitian adalah anggota pasukan kuning Kotamadya Surabaya yang bertugas di jalan raya sebanyak 75 orang. Dipilih anggota pasukan kuning karena dalam melaksanakan tugas sehari-hari diduga mendapat pemaparan polusi debu dan gas buang kendaraan bermotor. Hasil yang didapat adalah proporsi kelainan PEFR secara keseluruhan sebesar 42,67%, di antara yang mengeluh keluhan batuk sebesar 24,00%, di antara yang mengeluarkan dahak sebesar 14,67%, di antara yang sesak nafas sebesar 22,67% dan di antara yang nafasnya berbunyi sebesar 10,67%.
Ternyata didapatkan hubungan antara kelainan faal paru PEFR dengan adanya keluhan batuk (p = 0,0216), dengan keluhan pengeluaran dahak (p = 0,0005), dengan keluhan sesak nafas (p = 0,018) dan dengan keluhan nafas berbunyi (p = 0,0000). Subyek dengan kelainan faal paru PEFR tanpa keluhan berkisar antara 30,67 –36% dari seluruh subyek yang diperiksa
Low temperature a/b nanotwins in Ni50Mn25+xGa25x Heusler alloys
We have found low temperature a/b nanotwins having (110) twinning plane in a five-layered modulated martensite phase of Ni50Mn25+xGa25x (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. The merging of (400) and (040) lines upon cooling for 2.6 < x < 3.5 indicated a/b nanotwinning originating from the refinement of initially coarse a/b twins. Refinement of the twins with decreasing temperature was observed directly using scanning electron microscopy. The prerequisite for nanotwinning is an extremely low twin boundary energy, which we estimated using first-principles calculations to be 0.16 meV/2. As the nanotwinning distorts the relation between the crystal lattice and the X-ray diffraction pattern, it should be taken into consideration in structural studies of Ni-Mn-Ga Heusler alloys
Magnetic and Magneto-Optical Properties of Fe75-xMn25Gax Heusler-like Compounds
Fe75-xMn25Gax 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. Optical and magneto-optical (MO) measurements were employed to shed more light on the magnetic state and electronic structure of investigated materials. Magnetization measurements indicated that in the vicinity of stoichiometry (Fe2MnGa) the compounds are ferro/ferrimagnetic, whereas the Fe-deficient compound is paramagnetic and at high Fe concentration the antiferromagnetic interaction prevails. Theoretical calculations of corresponding ordered and disordered stoichiometric compounds were carried out and compared to the experiment on the level of net magnetic moment as well as magneto-optical spectra. This comparison suggests that the Heusler crystal structure, L2(1), is not present even close to stoichiometry. Moreover, the comparison of density of states (DOS) for ordered and disordered structures allowed us to explain missing martensitic transformation (MT) in investigated materials
Effect of electron localization in theoretical design of Ni-Mn-Ga based magnetic shape memory alloys
The precise determination of the stability of different martensitic phases is an essential task in the successful design of (magnetic) shape memory alloys. We evaluate the effect of electron delocalization correction on the predictive power of density functional theory for Ni-Mn-Ga, the prototype magnetic shape memory compound. Using the corrected Hubbard-model-based generalized gradient approximation (GGA+U), we varied the Coulomb repulsion parameter U from 0 eV to 3 eV to reveal the evolution of predicted material parameters. The increasing localization on Mn sites results in the increasing stabilization of 10M modulated structure in stoichiometric Ni2MnGa in agreement with experiment whereas uncorrected GGA and meta-GGA functional provide the lowest energy for 4O modulated structure and nonmodulated structure, respectively. GGA+U calculations indicate that 10M structure is more stable than other martensitic structures for U > 1.2 eV. The key features of density of states (DOS) responsible for the stabilization or destabilization of particular martensitic phases calculated with GGA+U are found also in DOS calculated with advanced quasi-particle self-consistent GW (QSGW) method. It supports the physical background of Hubbard correction. Moreover, the calculations with U = 1.8 eV provide the best agreement with experimental data for lattice parameters of stoichiometric and off-stoichiometric alloys. (C) 2021 The Authors. Published by Elsevier Ltd
An Ab Initio Study of Pressure-Induced Changes of Magnetism in Austenitic Stoichiometric Ni2MnSn
We have performed a quantum-mechanical study of a series of stoichiometric Ni2MnSn structures focusing on pressure-induced changes in their magnetic properties. Motivated by the facts that (i) our calculations give the total magnetic moment of the defect-free stoichiometric Ni2MnSn higher than our experimental value by 12.8% and (ii) the magnetic state is predicted to be more sensitive to hydrostatic pressures than seen in our measurements, our study focused on the role of point defects, in particular Mn-Ni, Mn-Sn and Ni-Sn swaps in the stoichiometric Ni2MnSn. For most defect types we also compared states with both ferromagnetic (FM) and anti-ferromagnetic (AFM) coupling between (i) the swapped Mn atoms and (ii) those on the Mn sublattice. Our calculations show that the swapped Mn atoms can lead to magnetic moments nearly twice smaller than those in the defect-free Ni2MnSn. Further, the defect-containing states exhibit pressure-induced changes up to three times larger but also smaller than those in the defect-free Ni2MnSn. Importantly, we find both qualitative and quantitative differences in the pressure-induced changes of magnetic moments of individual atoms even for the same global magnetic state. Lastly, despite of the fact that the FM-coupled and AFM-coupled states have often very similar formation energies (the differences only amount to a few meV per atom), their structural and magnetic properties can be very different
TRY plant trait database – enhanced coverage and open access
Plant traits - the morphological, anatomical, physiological, biochemical and phenological characteristics of plants - determine how plants respond to environmental factors, affect other trophic levels, and influence ecosystem properties and their benefits and detriments to people. Plant trait data thus represent the basis for a vast area of research spanning from evolutionary biology, community and functional ecology, to biodiversity conservation, ecosystem and landscape management, restoration, biogeography and earth system modelling. Since its foundation in 2007, the TRY database of plant traits has grown continuously. It now provides unprecedented data coverage under an open access data policy and is the main plant trait database used by the research community worldwide. Increasingly, the TRY database also supports new frontiers of trait‐based plant research, including the identification of data gaps and the subsequent mobilization or measurement of new data. To support this development, in this article we evaluate the extent of the trait data compiled in TRY and analyse emerging patterns of data coverage and representativeness. Best species coverage is achieved for categorical traits - almost complete coverage for ‘plant growth form’. However, most traits relevant for ecology and vegetation modelling are characterized by continuous intraspecific variation and trait–environmental relationships. These traits have to be measured on individual plants in their respective environment. Despite unprecedented data coverage, we observe a humbling lack of completeness and representativeness of these continuous traits in many aspects. We, therefore, conclude that reducing data gaps and biases in the TRY database remains a key challenge and requires a coordinated approach to data mobilization and trait measurements. This can only be achieved in collaboration with other initiatives
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