About: Theoretical studies of grain boundaries with point defects and their aggregates

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Projekt, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	http://linked.opendata.cz/ontology/domain/vavai/Projekt
rdfs:seeAlso	http://www.isvav.cz/projectDetail.do?rowId=GA202/09/1786
Description	The goal of the project is to advance our fundamental understanding of structural and mechanical properties of grain boundaries in selected metals and intermetallic compounds and on interaction of grain boundaries with point defects and their aggregates. To obtain relevant physical characteristics of grain boundaries (atomic configuration, strength etc.), we will use state-of-the-art first principles electronic structure methods combined appropriately with classical molecular dynamics and Monte Carlo methods. As positron annihilation is one of the experimental methods capable to detect grain boundaries and point defects, we plan also to calculate relevant positron annihilation signal from grain boundary and point defect regions. Central topic of the proposed research is to analyze the effect of point defects and their aggregates on structure and strength of grain boundaries. To verify our theoretical results experimentally and to have an access to high-quality experimental data, we will maintain a close collaboration with the leading experimental groups in this field. (en) Cílem projektu je získat nové znalosti o struktuře a mechanických vlastnostech hranic zrn ve vybraných kovech a intermetalických sloučeninách a o interakci hranic zrn s bodovými poruchami a jejich agregáty na základě moderních metod výpočtů elektronové struktury z prvních principů.
Title	Theoretical studies of grain boundaries with point defects and their aggregates (en) Teoretické studium hranic zrn s bodovými poruchami a jejich agregáty
skos:notation	GA202/09/1786
http://linked.open...avai/cep/aktivita	Standard projects
http://linked.open...kovaStatniPodpora	http://linked.opendata.cz/resource/domain/vavai/projekt/GA202%2F09%2F1786/celkovaStatniPodpora
http://linked.open...ep/celkoveNaklady	http://linked.opendata.cz/resource/domain/vavai/projekt/GA202%2F09%2F1786/celkoveNaklady
http://linked.open...datumDodatniDoRIV	2015-03-02 (xsd:date)
http://linked.open...i/cep/druhSouteze	VS - Veřejná soutěž ve výzkumu a vývoji
http://linked.open...ep/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open.../cep/fazeProjektu	91491607
http://linked.open...ai/cep/hlavniObor	BM - Fyzika pevných látek a magnetismus
http://linked.open...hodnoceniProjektu	V - Vynikající výsledky (s mezinárodním významem apod.). Zároveň byly splněny cíle a předpokládané výsledky uvedené ve smlouvě / rozhodnutí o poskytnutí podpory.
http://linked.open...vai/cep/kategorie	ZV - Základní výzkum
http://linked.open.../cep/klicovaSlova	elektronová struktura, hranice zrn, bodové poruchy (en)
http://linked.open...ep/partnetrHlavni	Přírodovědecká fakulta
http://linked.open...inujicichPrijemcu	0 (xsd:int)
http://linked.open...cep/pocetPrijemcu	1 (xsd:int)
http://linked.open...ocetSpoluPrijemcu	1 (xsd:int)
http://linked.open.../pocetVysledkuRIV	23 (xsd:int)
http://linked.open...enychVysledkuVRIV	23 (xsd:int)
http://linked.open...lneniVMinulemRoce	2011-04-16 (xsd:date)
http://linked.open.../prideleniPodpory	http://linked.opendata.cz/resource/domain/vavai/cep/prideleniPodpory/202%2F09%2F1786
http://linked.open...iciPoslednihoRoku	2011
http://linked.open...atUdajeProjZameru	2012
http://linked.open.../vavai/cep/soutez	SGA02009GA-ST
http://linked.open...usZobrazovaneFaze	DUU
http://linked.open...ai/cep/typPojektu	P - Projekt výzkumu a vývoje financovaný ze státního rozpočtu
http://linked.open...ep/ukonceniReseni	2011-12-31 (xsd:date)
http://linked.open...ep/zahajeniReseni	2009-01-01 (xsd:date)
http://linked.open...jektu+dodavatelem	Řešení projektu proběhlo výtečně, jak z hlediska odborného tak i z hlediska čerpání finančních prostředků. (cs) The project was excellent, both in terms of expertise and in terms of disbursement of funds. (en)
http://linked.open...tniCyklusProjektu	ZBKU
http://linked.open.../cep/klicoveSlovo	hranice zrn elektronová struktura
is http://linked.open...vavai/riv/projekt of	Magnetically dead layers at sp-impurity-decorated grain boundaries and surfaces in nickel Structure and magnetism of clean and impurity-decorated grain boundaries in nickel from first principles Strength and Magnetism of Nanocomposites Formed by 3D-Metal Nanochains Embedded in a Non-Magnetic Matrix Transformation paths in transition-metal disilicides Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:From the Electronic Ground State to the Limits of Materials Stability Ab initio study of segregation of impurities at grain boundaries and surfaces in nickel Studium segregace nečistot na hranicích zrn v niklu Šob, Legut, and Friák Reply: Reply to the Comment on Why is Polonium Simple Cubic and So Highly Anisotropic? Ab initio study of effect of segregated sp-impurities at grain boundaries in nickel Phase stability, elasticity, and theoretical strength of polonium from first principles A mechanism of inhibition of phase transitions in nano-grained close-packed Pd thin films Vliv segregace nemagnetických nečistot na strukturu a vlastnosti hranic zrn v niklu Vliv segregovaných nemagnetických sp-nečistot na vlastnosti hranic zrn a povrchů v niklu Ab initio study of phase transformations in transition-metal disilicides Ab initio study of energetics and magnetism of Fe, Co, and Ni along the trigonal deformation path The effect of segregated sp-impurities on grain-boundary and surface structure, magnetism and embrittlement in nickel Stacking Faults and Dislocation Dissociation in MoSi2 The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide Ab initio density functional calculations of ferromagnetism in low-dimensional nanostructures: From nanowires to nanorods Noncollinear magnetism in manganese nanostructures Structure of defects, their interactions and positron characteristics in Fe3Al system Positron annihilation at planar defects in oxides Determining gound state of nickel nitrides NiN and Ni2N with the help of quantum-mechanical calculations
is http://linked.open...vavai/cep/projekt of	http://linked.opendata.cz/resource/domain/vavai/cep/ucast/GA202%2F09%2F1786/2009/orjk%3A11320 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/GA202%2F09%2F1786/2009/orjk%3A14310 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/GA202%2F09%2F1786/2010/orjk%3A11320 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/GA202%2F09%2F1786/2010/orjk%3A14310 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/GA202%2F09%2F1786/2011/orjk%3A11320 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/GA202%2F09%2F1786/2011/orjk%3A14310 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/GA202%2F09%2F1786/2012/orjk%3A11320 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/GA202%2F09%2F1786/2012/orjk%3A14310

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