Naslov
Multiscale modelling in materials science

Autori
Agić, Ante ; Filipan, Veljko

Vrsta, podvrsta i kategorija rada
Poglavlja u knjigama, znanstveni

Knjiga
DAAAM International Scientific Book 2008

Urednik/ci
Katalinic, Branko

Izdavač
DAAAM International Vienna

Grad
Beč

Godina
2008

Raspon stranica
1-14

ISBN
3-901509-69-0

Ključne riječi
multiscale modelling, quasicontinuum, nanoindentation

Sažetak
The multiscale simulation strategies bridge the models and simulation techniques across a broad range of length and time scales. Several simulation techniques, each one suited for a particular length and time scale, are briefly commented. The quasicontinuum (QC) as one of multiscale methods, which combine atomistic simulation with coarse-graining schemes is described in details and used for an illustrative example (nanoindentation of single Ni crystal with spherical indenter). The original QC code and the procedure based on the concept of mean force potentials were used for modelling. The results of simulation are compared with the data from literature especially for the material elastic constants. The model also enables predictions of materials behaviour outside the range of experiment, and therefore it will be improved and used for further investigations in materials science field. The future work will be directed toward including temperature dependences and speeding up the numerical procedure.

Izvorni jezik
Engleski

Znanstvena područja
Temeljne tehničke znanosti

POVEZANOST RADA