18 research outputs found

    Anti-Nazi Resistance Fighters from Teplice and Northwestern Bohemia

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    Katedra dějin a didaktiky dějepisuPedagogická fakultaFaculty of Educatio

    Folding kinetics of a polymer [corrigendum]

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    In our original article (Phys. Chem. Chem. Phys., 2012, 14, 60446053) a convergence problem resulted in an averaging error in computing the entropy from a set of Wang-Landau Monte-Carlo simulations. Here we report corrected results for the freezing temperature of the homopolymer chain as a function of the range of the non-bonded interaction. We find that the previously reported forward-flux sampling (FFS) and brute-force (BF) simulation results are in agreement with the revised Wang-Landau (WL) calculations. This confirms the utility of FFS for computing crystallisation rates in systems of this kind.Comment: 2 pages, 4 figure

    A collective translational and rotational Monte Carlo cluster move for general pairwise interaction

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    Virtual move Monte Carlo (VMMC) is a cluster algorithm which was originally developed for strongly attractive colloidal, molecular or atomistic systems in order to both approximate the collective dynamics and avoid sampling of unphysical kinetic traps. In this paper, we present the algorithm in the form, which selects the moving cluster through a wider class of virtual states, and which is applicable to general pairwise interactions, including hard-core repulsion. The newly proposed way of selecting the cluster increases the acceptance probability by up to several orders of magnitude especially for rotational moves. The results have their applications in simulations of systems interacting via anisotropic potentials both to enhance the sampling of the phase space and to approximate the dynamics

    Georeferenced Data Visualization on Web-Based Map Interface

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    Tato diplomová práce se zabývá návrhem a implementací knihovny, jako rozšíření pro OpenLayers. Řešení tohoto projektu bylo napsáno v programovacím jazyce JavaScript. Součástí práce je seznámení se standardy pro ukládání a přenos geografické informace, s JavaScriptovými knihovnami pro zobrazování mapových podkladů a službami REST.The master's thesis is concerned with design and implementation of library extending OpenLayers. For the solution was used JavaScript programming language. Part of this thesis is devoted to description of standards for maintaining and transfering geographic information and to JavaScript map presenting libraries and REST services.

    Computer simulation of mesocrystals

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    The mesoscale is a thousand times larger than the atomistic scale with colloidal particles, rather than atoms or molecules, forming the constituent building blocks for organized structures. Nanotechnology has recently started interpreting colloidal units as colloidal molecules, and a lot of interest emerged in their assembly into self-organized structures called colloidal crystals. A mesocrystal is a special type of colloidal crystal, where constituent colloidal units are crystallographically registered nanocrystals. Computer simulation of colloidal self-assembly requires coarse-graining, where short-range attraction is usually the dominant force on the colloidal scale. In this thesis, moderately deep quenches of short-range attractive spherical colloids at low packing fractions are performed, because strong clustering into liquid drops preceding crystallization is known to follow quenching and is reminiscent of mesocrystallization. Moreover, variation of simulation parameters in those models allows an easy investigation of the competition between the fundamental processes of multiscale assembly such as coarsening, crystallization, gelation, and phase separation interfering with the dynamical slowing down. Since colloidal building blocks are usually characterized by complex anisotropic interactions we use Monte Carlo rather than dynamical simulations. The thesis is focused on the development of the Virtual Move Monte Carlo which is a Monte Carlo cluster algorithm selecting the moving clusters according to the local energy gradients. The algorithm allows one to control the rates of local crystal evolution and a larger scale cluster aggregation. The thesis investigates the conditions at which the crystallization precedes the aggregation and vice versa. It is confirmed by the Monte Carlo simulations that the properties of kinetically slowed down structures are independent of the microscopic dynamics, and that three different linear growth regimes, correlated to the local order, are present in systems where structure evolves mainly via single particle exchange. It is also shown that long-range repulsions are necessary to stabilize the phase separated aggregates, and that a renormalization of the repulsion leads to a significant decrease of polydispersity of the liquid or recrystallized drops. The efficiency of rotational cluster moves simulating the alignment into crystallographic register is enhanced by several orders of magnitude in this thesis. The results are discussed in the language of recent colloidal physics and related to a wider range of coarsening and self-assembly phenomena observed during the nonclassical crystallization or mesocrystallization processes

    HPLC method development for carotenoids determination in fruits

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    Charles University in Prague Faculty of Pharmacy in Hradec Králové Department of Analytical Chemistry Candidate: Štěpán Růžička Supervisor: Doc. RNDr. Dalibor Šatínský, Ph.D. Title of the diploma thesis: HPLC method development for carotenoids determination in fruits In this thesis was optimized and developed a new HPLC method for the determination of specific carotenoids (betacarotene, lutein and zeaxanthin) content in selected species of sweet cherries. The method used Supelco Analytical RP-Amide (100 x 4.6 mm; 5 µm) column for separation and UV detection at a wavelength of 450 nm. There was used isocratic elution of the mobile phase acetonitrile:hexan:methylene chloride (96.6:1.7:1.7) at a flow rate of 1.409 ml/min during the measurement. The cherry samples were extracted to chloroform in ultrasound bath, centrifuged, and after filtration injected into HPLC system. The temperature was set at 30 řC and injected volume was 5 µl. The amount of betacarotene was quantified in a few cherry samples because of too low concentration of carotenoids

    The magazine World Literature in the 60th 20th century.

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    This bachelor thesis concerns at content analysis of World Literature magazine in years 1960-1969, which was the era of enourmous development in this periodical and also in a culture of Czechoslovakia. Magazine World Literature is regarded in context of political and cultural dogmatism of regime after February 1948 and also in context of liberalization in 1960s. The work of the redaction of the magazine and its choise of translations and book reviews is analysed quantitatively and also qualitatively and compared with tendentions of State publisher of literatura, music and arts (Odeon) and also with influences of the official socialistic ideology. The main objective of this thesis is to find out what the influence of magazine World Literature was on publishing translations in context of historical and cultural conections in 1960s, especially focused on English and American literature

    Collective translational and rotational Monte Carlo moves for attractive particles

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    Virtual move Monte Carlo is a Monte Carlo (MC) cluster algorithm forming clusters via local energy gradients and approximating the collective kinetic or dynamic motion of attractive colloidal particles. We carefully describe, analyze, and test the algorithm. To formally validate the algorithm through highlighting its symmetries, we present alternative and compact ways of selecting and accepting clusters which illustrate the formal use of abstract concepts in the design of biased MC techniques: the superdetailed balance and the early rejection scheme. A brief and comprehensive summary of the algorithms is presented, which makes them accessible without needing to understand the details of the derivation
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