This work deals with study of stability of solid crystals under isotropic loading. Ab initio methods were used for this purpose. Crystals of four fcc metals (Al, Cu, Ir, Au) and diamond were subjected to simulated isotropic tensile deformation and maximum value of isotropic stress was evaluated for them. Consequently, phonon spectra were calculated for several strain values in order to assess crystal stability. Phonon instabilities in dispersion curves of diamond, Al, Ir and Au appeared at strains lower than those corresponding to their decohesion. This appearance of instability determinates the value of ideal strength. However, significant reduction (by about 20%) was found only in the cases of Au and Ir.
| Identifer | oai:union.ndltd.org:nusl.cz/oai:invenio.nusl.cz:228571 |
| Date | January 2009 |
| Creators | Řehák, Petr |
| Contributors | Šob, Mojmír, Černý, Miroslav |
| Publisher | Vysoké učení technické v Brně. Fakulta strojního inženýrství |
| Source Sets | Czech ETDs |
| Language | Czech |
| Detected Language | English |
| Type | info:eu-repo/semantics/masterThesis |
| Rights | info:eu-repo/semantics/restrictedAccess |
Page generated in 0.0022 seconds