Modeling time-resolved kinetics in solids induced by extreme electronic excitation
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F22%3A00560303" target="_blank" >RIV/68378271:_____/22:00560303 - isvavai.cz</a>
Alternative codes found
RIV/61389021:_____/22:00579469
Result on the web
<a href="https://doi.org/10.1002/adts.202200091" target="_blank" >https://doi.org/10.1002/adts.202200091</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/adts.202200091" target="_blank" >10.1002/adts.202200091</a>
Alternative languages
Result language
angličtina
Original language name
Modeling time-resolved kinetics in solids induced by extreme electronic excitation
Original language description
The authors present a concurrent Monte Carlo (MC)–molecular dynamics (MD) approach to modeling matter response to excitation of its electronic system at nanometric scales. The two methods are combined on-the-fly at each time step in one code, TREKIS-4. The MC model describes the arrival of irradiation (a photon, an electron, or a fast ion). It traces induced cascades of secondary electrons and holes, and their energy exchange with atoms due to scattering. The excited atomic system is simulated with an MD model. An efficient way is proposed to account for nonthermal effects in the electron-atom energy transfer in covalent materials via the conversion of the potential energy of the electronic ensemble into the kinetic energy of atoms. Such a combined MC–MD approach enables a time-resolved tracing of the excitation kinetics of both, the electronic and atomic systems, and their simultaneous response to a deposited dose.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10305 - Fluids and plasma physics (including surface physics)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Advanced Theory and Simulations
ISSN
2513-0390
e-ISSN
2513-0390
Volume of the periodical
5
Issue of the periodical within the volume
8
Country of publishing house
DE - GERMANY
Number of pages
19
Pages from-to
2200091
UT code for WoS article
000806004600001
EID of the result in the Scopus database
2-s2.0-85131204187