Stability of small vacancy clusters in tungsten by molecular dynamics

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F20%3A00523958" target="_blank" >RIV/68081723:_____/20:00523958 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0168583X19307992?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0168583X19307992?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.nimb.2019.11.044" target="_blank" >10.1016/j.nimb.2019.11.044</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Stability of small vacancy clusters in tungsten by molecular dynamics

Popis výsledku v původním jazyce

The vacancies produced in collision cascades of irradiated metals form voids and vacancy clusters. The stability of vacancy clusters and voids is usually studied by kinetic Monte-Carlo methods. We investigated the stability of these vacancy defects at high temperatures using molecular dynamics and recent embedded-atom method potential. We confirm that the vacancy cluster dissociation is thermally activated. We have obtained dissociation energies and characteristic temperatures, both increasing with the number of vacancies and tending to saturate at 3.5 eV and 1200 K, respectively, for large vacancy clusters. Our results qualitatively agree with Monte-Carlo results, but predict somewhat smaller values for both the dissociation energy and characteristic temperature.

Název v anglickém jazyce

Stability of small vacancy clusters in tungsten by molecular dynamics

Popis výsledku anglicky

The vacancies produced in collision cascades of irradiated metals form voids and vacancy clusters. The stability of vacancy clusters and voids is usually studied by kinetic Monte-Carlo methods. We investigated the stability of these vacancy defects at high temperatures using molecular dynamics and recent embedded-atom method potential. We confirm that the vacancy cluster dissociation is thermally activated. We have obtained dissociation energies and characteristic temperatures, both increasing with the number of vacancies and tending to saturate at 3.5 eV and 1200 K, respectively, for large vacancy clusters. Our results qualitatively agree with Monte-Carlo results, but predict somewhat smaller values for both the dissociation energy and characteristic temperature.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Nuclear Instruments & Methods in Physics Research Section B

ISSN

0168-583X

e-ISSN

—

Svazek periodika

464

Číslo periodika v rámci svazku

FEB

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

4

Strana od-do

56-59

Kód UT WoS článku

000510313800011

EID výsledku v databázi Scopus

2-s2.0-85076246493