Molecular dynamics of vitreous silica - Variations in potentials and simulation regimes
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F15%3A43900028" target="_blank" >RIV/60461373:22310/15:43900028 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.jnoncrysol.2015.07.006" target="_blank" >http://dx.doi.org/10.1016/j.jnoncrysol.2015.07.006</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jnoncrysol.2015.07.006" target="_blank" >10.1016/j.jnoncrysol.2015.07.006</a>
Alternative languages
Result language
angličtina
Original language name
Molecular dynamics of vitreous silica - Variations in potentials and simulation regimes
Original language description
Two potential sets, and three thermodynamic regimes were utilised in MD simulations to prepare the corresponding structures of vitreous silica. Standard structure descriptors as RDF's, angle distributions, and primitive ring distributions showed subtle differences among glasses. Structural defects as overcoordinations and dangling bonds revealed higher sensitivity to both used potential sets and TD conditions. Overcoordination is largely driven by the density while the amount of dangling bonds is givenby the type of the potential. Connectivity that balances under- and over-coordination is determined rather by TD conditions than type of potential used. Ring distribution as well as radial distribution function of rings shows robustness to alternating conditions of simulation.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
JH - Ceramics, fire-proof materials and glass
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GA15-12580S" target="_blank" >GA15-12580S: Silicate glass modified with electron beams</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Non-crystalline Solids
ISSN
0022-3093
e-ISSN
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Volume of the periodical
426
Issue of the periodical within the volume
říjen
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
7
Pages from-to
103-109
UT code for WoS article
000359889000018
EID of the result in the Scopus database
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