Technological Process for the execution of the residential building envelope

Obsahem této bakalářské práce je technologický postup realizace provádění obvodového pláště bytového domu. Jedná se o třípodlažní nepodsklepený objekt realizovaný ze zdícího systému Porotherm, který bude sloužit k bydlení osob. Objekt se bude nacházet v lokalitě obce Kobeřice. Součástí bakalářské práce je projektová dokumentace pro stavební povolení dle vyhlášky č. 405/2017 Sb.. Dále je součástí položkový rozpočet stavebního oddílu a časový harmonogram realizace obvodového pláště.This bachelor thesis subject is the technological procedure of Building Envelope realization for a residential building. The object is a three flloors with no cellar, constructed by Porotherm masonry system. The Building is a residential object, located in Kobeřice cadastral. Part of the bachelor's thesis is the project documentation for construction permit according to regulation No. 405/2017 Coll.. The detailed budget and schedule plan of the construction section is included.225 - Katedra pozemního stavitelstvívýborn

Atomistically enabled nonsingular anisotropic elastic representation of near-core dislocation stress fields in α\alpha-iron

The stress fields of dislocations predicted by classical elasticity are known to be unrealistically large approaching the dislocation core, due to the singular nature of the theory. While in many cases this is remedied with the approximation of an effective core radius, inside which ad hoc regularizations are implemented, such approximations lead to a compromise in the accuracy of the calculations. In this work, an anisotropic non-singular elastic representation of dislocation fields is developed to accurately represent the near-core stresses of dislocations in $\alpha$-iron. The regularized stress field is enabled through the use of a non-singular Green's tensor function of Helmholtz-type gradient anisotropic elasticity, which requires only a single characteristic length parameter in addition to the material's elastic constants. Using a novel magnetic bond-order potential to model atomic interactions in iron, molecular statics calculations are performed, and an optimization procedure is developed to extract the required length parameter. Results show the method can accurately replicate the magnitude and decay of the near-core dislocation stresses even for atoms belonging to the core itself. Comparisons with the singular isotropic and anisotropic theories show the non-singular anisotropic theory leads to a substantially more accurate representation of the stresses of both screw and edge dislocations near the core, in some cases showing improvements in accuracy of up to an order of magnitude. The spatial extent of the region in which the singular and non-singular stress differ substantially is also discussed. The general procedure we describe may in principle be applied to accurately model the near-core dislocation stresses of any arbitrarily shaped dislocation in anisotropic cubic media.Comment: Appearing in Phys. Rev.

Numerical modelling of electronic structures

Import 22/07/2015Diplomová práce se zaměřuje na metody modelování elektronických struktur. Uvedeny jsou základní pojmy kvantové mechaniky, z nichž některé jsou demonstrovány na modelových příkladech. Dále jsou zde charakterizovány různé aproximace nečasové Schrödingerovy rovnice pro vícečásticové systémy včetně vybraných numerických metod, které se k jejímu řešení používají. Významnou součástí práce je i implementace vybraných aproximací v Matlabu, na kterou navazují numerické experimenty s jednoduchými reálnými částicovými systémy, konkrétně s atomem helia a molekulami vodíku, kyslíku a vody. Některé experimenty zahrnují srovnání výsledků s naměřenými hodnotami modelovaných veličin a je řešena i jejich numerická stabilita.The thesis aims at methods of modelling of electronic structures. There are shown main concepts of the quantum mechanics and some of them are demonstrated on examples. Further, there are characterised various approximations of the time-independent Schrödinger equation, which describes multi particle systems, and selected numerical methods, that are usually used to solve it. Significant part of the thesis consists of the implementation of chosen approximations in the Matlab, which is followed by numerical experiments with real simple particle systems (helium atom, hydrogen, oxygen and water molecule). Some of the experiments include a comparison between results and measured values of modelled quantities and it's dealt with numerical stability.470 - Katedra aplikované matematikyvýborn

The Variant Solution Technology for the Realization of the Roofing of Residential House

Obsahem této diplomové práce je Variantní řešení technologie pro realizaci zastřešení bytového domu. Jedná se o čtyřpodlažní podsklepený objekt realizovaný ze zdícího systému Porotherm, který bude sloužit k bydlení osob. Objekt se bude nacházet v lokalitě obce Bolatice. Součástí diplomové práce je projektová dokumentace ve stupni pro stavební povolení dle vyhlášky č. 405/2017 Sb.. Dále jsou součástí položkové rozpočty a časové harmonogramy pro realizaci jednotlivých variant zastřešení.The subject of this diploma work is Alternative technology solutions of roofing of residential house. The object is a three floor bulding with basement, constructed by Porotherm mansory system. The building is a residentioal object, located at Bolatice cadastral. Part of the diploma work is project documentation meeting the requirements for building permit according to regulation No. 405/2017 Coll.. The detailed budgets and time schedule plans of each alternative are part of this diploma work.225 - Katedra pozemního stavitelstvívýborn

Matematické metody výpočtů elektronové struktury velkých systémů

This thesis focuses on mathematical methods of the quantum chemistry. It consists of several thematic parts. The first part focuses on tensor numerical methods which serve as a~tool for storing and numerical treatment of large multidimensional data. We focus on an efficient numerical representation of several types of basis functions that can be used in electronic structure calculations. In the second part we present our development of an~optimization algorithm intended for solving Kohn-Sham equations. It can be understood as an alternative to standard iterative methods, where problems with the convergence to the ground state energy occur. Finally, our parallel software for electronic structure calculations based on the Hartree-Fock approximation and the density functional theory together with achieved results is presented.Tato disertační práce se zaměřuje na matematické metody kvantové chemie a skládá se z několika tematických okruhů. V první části se věnuje tenzorovým numerickým metodám jakožto efektivnímu nástroji pro práci s rozsáhlýmí vícedimenzionálními numerickými daty. V rámci našeho výzkumu se zabýváme numerickou reprezentací bázových funkcí využívaných ve výpočtech elektronových struktur. Ve druhé části se věnujeme vývoji optimalizačního algoritmu, který je určen pro řešení Kohnovy-Shamovy rovnice. Algoritmus je primárně určen jako alternativa ke standardním metodám, u nichž jsou známy problémy s konvergencí k energii základního stavu. Na závěr se věnujeme námi vyvíjenému paralelnímu softwaru pro výpočty elektronových struktur založených na Hartreeho-Fockově aproximaci a teorii funkcionálu hustoty. V této části jsou rovněž prezentovány vybrané dosažené výsledky.470 - Katedra aplikované matematikyvyhově

Bond-Order Potentials with Analytic Environment-Dependent Tight-Binding Integrals: Application to BCC Molybdenum

We present a new Screened Bond-Order Potential (SBOP) for molybdenum in which the environmental dependence of two-center tight-binding bond integrals has been implemented via a recently developed analytic expression. These bond integrals reproduce very well the numerical ab-intio values of screened LMTO bond integrals. In particular, they display the large discontinuity in ddpi between the first and second nearest neighbor of the bcc lattice whereas they do not show any discontinuity in ddsigma. This dependence can be traced directly to the angular character of the analytic screening function and is shown to be critical for the behavior of the second nearest neighbor force constants. The new BOP eliminates the problem of the very soft T2 phonon mode at the N point that is found in most two-center tight-binding models. Preliminary study of the core structure of 1/2\u3c111\u3e screw dislocations performed using SBOP indicates that the core is narrower and less asymmetric than structures found in previous studies, in agreement with recent ab-initio calculations

Non-collinear Magnetic Atomic Cluster Expansion for Iron

The Atomic Cluster Expansion (ACE) provides a formally complete basis for the local atomic environment. ACE is not limited to representing energies as a function of atomic positions and chemical species, but can be generalized to vectorial or tensorial properties and to incorporate further degrees of freedom (DOF). This is crucial for magnetic materials with potential energy surfaces that depend on atomic positions and atomic magnetic moments simultaneously. In this work, we employ the ACE formalism to develop a non-collinear magnetic ACE parametrization for the prototypical magnetic element Fe. The model is trained on a broad range of collinear and non-collinear magnetic structures calculated using spin density functional theory. We demonstrate that the non-collinear magnetic ACE is able to reproduce not only ground state properties of various magnetic phases of Fe but also the magnetic and lattice excitations that are essential for a correct description of the finite temperature behavior and properties of crystal defects.Comment: 19 pages, 20 figures, 2 table