"http://www.isvav.cz/projectDetail.do?rowId=GAP108/10/1908"^^ . . . . . "23"^^ . "23"^^ . . "Thermodynamics of intermetallic phases using combined theoretical and experimental approach"@en . "2012-12-31+01:00"^^ . " thermodynamic" . " initio" . . . . . "GAP108/10/1908" . "The project contributed to study of thermodynamic properties of secondary phases, which play an important role in the stability of advanced steels or superalloys, by combination of ab initio, semiempirical and experimental approaches. Important apllications for modelling of technologically important phases, excelent outputs: 8 impacted papers published, others in press or submitted."@en . "Projekt p\u0159isp\u011Bl ke studiu termodynamick\u00FDch vlastnost\u00ED sekund\u00E1rn\u00EDch f\u00E1z\u00ED, kter\u00E9 hraj\u00ED d\u016Fle\u017Eitou roli ve stabilit\u011B pokro\u010Dil\u00FDch ocel\u00ED \u010Di superslitin, kombinac\u00ED ab initio, semiempirick\u00FDch a experiment\u00E1ln\u00EDch p\u0159\u00EDstup\u016F. V\u00FDznamn\u00E9 aplikace pro modelov\u00E1n\u00ED technologicky v\u00FDznamn\u00FDch f\u00E1z\u00ED, vynikaj\u00EDc\u00ED publika\u010Dn\u00ED v\u00FDsledky: ji\u017E vy\u0161lo v osmi impaktovan\u00FDch publikac\u00EDch, dal\u0161\u00ED jsou v tisku \u010Di recenzn\u00EDm \u0159\u00EDzen\u00ED."@cs . . "2012-03-30+02:00"^^ . . "Termodynamika intermetalick\u00FDch f\u00E1z\u00ED z pohledu teoretick\u00FDch a experiment\u00E1ln\u00EDch p\u0159\u00EDstup\u016F" . . . . "intermetallic; phases; CALPHAD; ab; initio; thermodynamic; modelling"@en . . "intermetallic" . "0"^^ . . . " ab" . "Projekt roz\u0161i\u0159uje mo\u017Enosti popisu termodynamick\u00FDch \u010Di magnetick\u00FDch charakteristik intermetalick\u00FDch slou\u010Denin, kter\u00E9 z\u00E1sadn\u00EDm zp\u016Fsobem ovliv\u0148uj\u00ED vlastnosti speci\u00E1ln\u00EDch ocel\u00ED \u010Di technologicky zaj\u00EDmav\u00FDch kovov\u00FDch syst\u00E9m\u016Fm a jejich\u017E chov\u00E1n\u00ED nen\u00ED v\u017Edy dostate\u010Dn\u011B pops\u00E1no. Mezi tyto slou\u010Deniny pat\u0159\u00ED v\u011Bt\u0161ina sekund\u00E1rn\u00EDch f\u00E1z\u00ED - Lavesova, sigma, Z apod. Projekt t\u011B\u017E\u00ED z jedine\u010Dn\u00E9 mo\u017Enosti kombinovat studium materi\u00E1l\u016F na r\u016Fzn\u00FDch \u00FArovn\u00EDch: ab initio (v\u00FDpo\u010Dty termodynamick\u00FDch a magnetick\u00FDch veli\u010Din), semiempiricky (v\u00FDpo\u010Dty f\u00E1zov\u00FDch rovnov\u00E1h) a experiment\u00E1ln\u011B (ov\u011B\u0159en\u00ED teoretick\u00FDch v\u00FDsledk\u016F). Tato kombinace rozv\u00EDj\u00ED mo\u017Enosti modelov\u00E1n\u00ED termodynamick\u00FDch vlastnost\u00ED a f\u00E1zov\u00FDch diagram\u016F v\u00EDceslo\u017Ekov\u00FDch soustav, co\u017E vede k ucelen\u00E9mu pohledu na problematiku, kter\u00FD je na jednotliv\u00FDch \u00FArovn\u00EDch t\u011B\u017Eko dosa\u017Eiteln\u00FD. \u0158e\u0161itelsk\u00FD kolektiv pat\u0159\u00ED k pr\u016Fkopn\u00EDk\u016Fm tohoto postupu. Z\u00EDskan\u00E9 v\u00FDsledky prohloub\u00ED znalosti o oblastech\u00A0stability d\u016Fle\u017Eit\u00FDch sekund\u00E1rn\u00EDch f\u00E1z\u00ED v modern\u00EDch materi\u00E1lech a p\u0159isp\u011Bj\u00ED k tvorb\u011B spolehliv\u00E9 a konsistentn\u00ED termodynamick\u00E9 datab\u00E1ze, kter\u00E1 umo\u017En\u00ED teoretickou predikci chov\u00E1n\u00ED t\u011Bchto f\u00E1z\u00ED." . "1"^^ . . "1"^^ . . " phases" . . "The project extends the possibilities of description of thermodynamic or magnetic properties of intermetallic compounds which strongly influence properties of special steels or technologically interesting metallic systems and whose behavior is not satisfactorily described. Most of secondary phases (Laves, sigma, Z etc.) belong to these compounds. This project profits from the unique opportunity to combine the material studies on various levels: ab initio (thermodynamic and magnetic quantities calculations), semiempirical (phase equilibria calculations) and experimental (theoretical results verification). This combination develops potential of modeling of thermodynamic quantities and phase diagrams of multicomponent systems leading to the complex insight into the issue hardly accessible on separate levels. The results obtained will advance our fundamental understanding of\u00A0stability regions of important secondary phases in modern materials and will contribute to the creation of a reliable and consistent thermodynamic database allowing theoretical prediction of behavior of these phases."@en . "2014-01-30+01:00"^^ . " CALPHAD" . "2010-01-01+01:00"^^ .