Misorientation dependence of atomic structure and energy of < 10(1)over-bar0 > symmetric tilt boundaries in magnesium

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F18%3A00496950" target="_blank" >RIV/68081723:_____/18:00496950 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1080/14786435.2018.1524160" target="_blank" >http://dx.doi.org/10.1080/14786435.2018.1524160</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1080/14786435.2018.1524160" target="_blank" >10.1080/14786435.2018.1524160</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Misorientation dependence of atomic structure and energy of < 10(1)over-bar0 > symmetric tilt boundaries in magnesium

Popis výsledku v původním jazyce

Twelve < 10 (1) over bar0 > symmetric tilt boundaries in magnesium spanning misorientation range 78.29 degrees <= theta <= 145.85 degrees are investigated with molecular dynamics simulation at 0 K, using an embedded-atom method. Three favoured boundaries are identified in this range: {1 (2) over bar 14}78.29 degrees, {1 (2) over bar 12}116.88 degrees and {1 (2) over bar 11}145.85 degrees. Boundary structures intermediate between the first two boundaries are predicted by the structural unit model, which cannot be applied, however, to the misorientation range 116.88 degrees < theta < 145.85 degrees. A sharp transition between the structural units of the {1 (2) over bar 12}116.88 degrees and {1 (2) over bar 11}145.85 degrees boundaries is observed within the narrow misorientation range 135 degrees < theta < 138 degrees at or close to the energy maximum. The transition is obviously caused by avoidance of long-range compatibility stresses between these units.

Název v anglickém jazyce

Misorientation dependence of atomic structure and energy of < 10(1)over-bar0 > symmetric tilt boundaries in magnesium

Popis výsledku anglicky

Twelve < 10 (1) over bar0 > symmetric tilt boundaries in magnesium spanning misorientation range 78.29 degrees <= theta <= 145.85 degrees are investigated with molecular dynamics simulation at 0 K, using an embedded-atom method. Three favoured boundaries are identified in this range: {1 (2) over bar 14}78.29 degrees, {1 (2) over bar 12}116.88 degrees and {1 (2) over bar 11}145.85 degrees. Boundary structures intermediate between the first two boundaries are predicted by the structural unit model, which cannot be applied, however, to the misorientation range 116.88 degrees < theta < 145.85 degrees. A sharp transition between the structural units of the {1 (2) over bar 12}116.88 degrees and {1 (2) over bar 11}145.85 degrees boundaries is observed within the narrow misorientation range 135 degrees < theta < 138 degrees at or close to the energy maximum. The transition is obviously caused by avoidance of long-range compatibility stresses between these units.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/LQ1601" target="_blank" >LQ1601: CEITEC 2020</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2018

Kód důvěrnosti údajů

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

Název periodika

Philosophical Magazine

ISSN

1478-6435

e-ISSN

—

Svazek periodika

98

Číslo periodika v rámci svazku

36

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

12

Strana od-do

3235-3246

Kód UT WoS článku

000449523100001

EID výsledku v databázi Scopus

2-s2.0-85055161561