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Multiscale modelling in materials science (CROSBI ID 37163)

Prilog u knjizi | izvorni znanstveni rad

Agić, Ante ; Filipan, Veljko Multiscale modelling in materials science // DAAAM International Scientific Book 2008 / Katalinic, Branko (ur.). Beč: DAAAM International Vienna, 2008. str. 1-14

Podaci o odgovornosti

Agić, Ante ; Filipan, Veljko

engleski

Multiscale modelling in materials science

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.

multiscale modelling, quasicontinuum, nanoindentation

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Podaci o prilogu

1-14.

objavljeno

Podaci o knjizi

DAAAM International Scientific Book 2008

Katalinic, Branko

Beč: DAAAM International Vienna

2008.

3-901509-69-0

Povezanost rada

Temeljne tehničke znanosti