000022821 001__ 22821
000022821 005__ 20220110134528.0
000022821 04107 $$aeng
000022821 046__ $$k2018-05-14
000022821 100__ $$aMikeš, K.
000022821 24500 $$aMolecular statics simulation of dislocation pileup using quasicontinuum method

000022821 24630 $$n24.$$pEngineering Mechanics 2018
000022821 260__ $$bInstitute of Theoretical and Applied Mechanics of the Cech Academy of Sciences, Prague
000022821 506__ $$arestricted
000022821 520__ $$2eng$$aIn this contribution, accuracy of the QuasiContinuum (QC) methodology is studied for the case of dislocation pileup against an impenetrable obstacle in two-dimensional hexagonal lattices. To this end, a simplified shear test with a predetermined horizontal glide plane and next-to-nearest interactions described by the Lennard-Jones potential is adopted. The full molecular statics solution is computed, which is compared to two different QC simulations in terms of spatial positioning of individual dislocations along the glide plane, corresponding disregistry profiles, and dislocation core structures.

000022821 540__ $$aText je chráněný podle autorského zákona č. 121/2000 Sb.
000022821 653__ $$aatomistic simulation, molecular statics, QuasiContinuum, dislocation pileup

000022821 7112_ $$aEngineering Mechanics 2018$$cSvratka, CZ$$d2018-05-14 / 2018-05-17$$gEM2018
000022821 720__ $$aMikeš, K.$$iRokoš, O.$$iPeerlings, R.H.J.
000022821 8560_ $$ffischerc@itam.cas.cz
000022821 8564_ $$s3533242$$uhttps://invenio.itam.cas.cz/record/22821/files/553.pdf$$yOriginal version of the author's contribution in proceedings, page , section SOL.
000022821 962__ $$r21225
000022821 980__ $$aPAPER