About: Formation of structured nanophases in halide crystals

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We examined the problem of impurity nucleation in a solid matrix on several alkali halide crystals. While the studied NaCl and KCl form simple ionic crystals, when impurities are introduced and the crystals subjected to heat treatment, complex aggregation phenomena do occur. In the theoretical part of the work, we tried to follow the aggregation of these impurities using computational modeling approach. We examined the possibilities and based the model on interionic potentials (IOPs) lattice modeling standing in the model hierarchy (and computational demands) between ab-initio approaches such as DFT models and classical nucleation theory. We determined formation energies for clusters, treated as defects, starting from single impurity-vacancy dipole and small aggregates to possible configurations of larger clusters. Experimentally, we studied the system using optical spectroscopy. We examined the problem of impurity nucleation in a solid matrix on several alkali halide crystals. While the studied NaCl and KCl form simple ionic crystals, when impurities are introduced and the crystals subjected to heat treatment, complex aggregation phenomena do occur. In the theoretical part of the work, we tried to follow the aggregation of these impurities using computational modeling approach. We examined the possibilities and based the model on interionic potentials (IOPs) lattice modeling standing in the model hierarchy (and computational demands) between ab-initio approaches such as DFT models and classical nucleation theory. We determined formation energies for clusters, treated as defects, starting from single impurity-vacancy dipole and small aggregates to possible configurations of larger clusters. Experimentally, we studied the system using optical spectroscopy. (en)
Title	Formation of structured nanophases in halide crystals Formation of structured nanophases in halide crystals (en)
skos:prefLabel	Formation of structured nanophases in halide crystals Formation of structured nanophases in halide crystals (en)
skos:notation	RIV/68378271:_____/13:00398486!RIV14-GA0-68378271
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(GAP108/12/0891)
http://linked.open...iv/cisloPeriodika	6
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Kulveit, Jan Demo, Pavel Kožíšek, Zdeněk Sveshnikov, Alexey Polák, Karel
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Fyzikální ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	75528
http://linked.open...ai/riv/idVysledku	RIV/68378271:_____/13:00398486
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	halide crystals; nucleation (en)
http://linked.open.../riv/klicoveSlovo	nucleation halide crystals
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[10B579386623]
http://linked.open...i/riv/nazevZdroje	Advanced Science, Engineering and Medicine
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	5 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Nucleation of diamond on strongly curved surfaces of PLGA-based nanofibers
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	5
http://linked.open...iv/tvurceVysledku	Demo, Pavel Kožíšek, Zdeněk Polák, Karel Sveshnikov, Alexey Kulveit, Jan
issn	2164-6627
number of pages	5 (xsd:int)
http://bibframe.org/vocab/doi	10.1166/asem.2013.1332

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