Attributes | Values |
---|
rdf:type
| |
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/predkladatel
| |
http://linked.open...avai/riv/aktivita
| |
http://linked.open...avai/riv/aktivity
| |
http://linked.open...iv/cisloPeriodika
| |
http://linked.open...vai/riv/dodaniDat
| |
http://linked.open...aciTvurceVysledku
| |
http://linked.open.../riv/druhVysledku
| |
http://linked.open...iv/duvernostUdaju
| |
http://linked.open...titaPredkladatele
| |
http://linked.open...dnocenehoVysledku
| |
http://linked.open...ai/riv/idVysledku
| - RIV/68378271:_____/13:00398486
|
http://linked.open...riv/jazykVysledku
| |
http://linked.open.../riv/klicovaSlova
| - halide crystals; nucleation (en)
|
http://linked.open.../riv/klicoveSlovo
| |
http://linked.open...odStatuVydavatele
| - US - Spojené státy americké
|
http://linked.open...ontrolniKodProRIV
| |
http://linked.open...i/riv/nazevZdroje
| - Advanced Science, Engineering and Medicine
|
http://linked.open...in/vavai/riv/obor
| |
http://linked.open...ichTvurcuVysledku
| |
http://linked.open...cetTvurcuVysledku
| |
http://linked.open...vavai/riv/projekt
| |
http://linked.open...UplatneniVysledku
| |
http://linked.open...v/svazekPeriodika
| |
http://linked.open...iv/tvurceVysledku
| - Demo, Pavel
- Kožíšek, Zdeněk
- Polák, Karel
- Sveshnikov, Alexey
- Kulveit, Jan
|
issn
| |
number of pages
| |
http://bibframe.org/vocab/doi
| |