Ab initio aided strain gradient elasticity theory in prediction of nanocomponent fracture

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F19%3A00509680" target="_blank" >RIV/68081723:_____/19:00509680 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216305:26620/19:PU132295

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0167663619300341?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0167663619300341?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.mechmat.2019.103074" target="_blank" >10.1016/j.mechmat.2019.103074</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Ab initio aided strain gradient elasticity theory in prediction of nanocomponent fracture

Popis výsledku v původním jazyce

The aim of the paper is to address fracture problems in nanoscale-sized cracked components using a simplified form of the strain gradient elasticity theory aided by ab initio calculations. Quantification of the material length scale parameter l(1) of the simplified form of the strain gradient elasticity theory plays a key role in the analysis. The parameter l(1) is identified for silicon and tungsten single crystals using first principles calculations. Specifically, the parameter l(1) is extracted from phonon-dispersions generated by ab-initio calculations and, for comparison, by adjusting the analytical strain gradient elasticity theory solution for the displacement field near the screw dislocation with the ab-initio calculations of this field. The obtained results are further used in the strain gradient elasticity modeling of crack stability in nano-panels made of silicon and tungsten single crystals, where due to size effects and nonlocal material point interactions the classical linear fracture mechanics breaks down. The cusp-like crack tip opening profiles determined by the gradient elasticity theory and a hybrid atomistic approach at the moment of nano-panels fracture revealed a very good mutual agreement.

Název v anglickém jazyce

Ab initio aided strain gradient elasticity theory in prediction of nanocomponent fracture

Popis výsledku anglicky

The aim of the paper is to address fracture problems in nanoscale-sized cracked components using a simplified form of the strain gradient elasticity theory aided by ab initio calculations. Quantification of the material length scale parameter l(1) of the simplified form of the strain gradient elasticity theory plays a key role in the analysis. The parameter l(1) is identified for silicon and tungsten single crystals using first principles calculations. Specifically, the parameter l(1) is extracted from phonon-dispersions generated by ab-initio calculations and, for comparison, by adjusting the analytical strain gradient elasticity theory solution for the displacement field near the screw dislocation with the ab-initio calculations of this field. The obtained results are further used in the strain gradient elasticity modeling of crack stability in nano-panels made of silicon and tungsten single crystals, where due to size effects and nonlocal material point interactions the classical linear fracture mechanics breaks down. The cusp-like crack tip opening profiles determined by the gradient elasticity theory and a hybrid atomistic approach at the moment of nano-panels fracture revealed a very good mutual agreement.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20303 - Thermodynamics

Projekt

<a href="/cs/project/GA17-18566S" target="_blank" >GA17-18566S: Kombinace atomistických modelů s teorií elasticity vyššího řádu v lomové nanomechanice</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Mechanics of Materials

ISSN

0167-6636

e-ISSN

—

Svazek periodika

136

Číslo periodika v rámci svazku

SEP

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

10

Strana od-do

103074

Kód UT WoS článku

000477685800014

EID výsledku v databázi Scopus

2-s2.0-85067312712