Please use this identifier to cite or link to this item: https://doi.org/10.3139/146.110422
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dc.titleElastic constants and thermophysical properties of Al-Mg-Si alloys from first-principles calculations
dc.contributor.authorLiu, F.
dc.contributor.authorGuo, F.
dc.contributor.authorChen, H.
dc.contributor.authorOuyang, Y.
dc.contributor.authorTao, X.
dc.contributor.authorFeng, Y.
dc.contributor.authorDu, Y.
dc.date.accessioned2014-10-16T09:50:14Z
dc.date.available2014-10-16T09:50:14Z
dc.date.issued2010
dc.identifier.citationLiu, F., Guo, F., Chen, H., Ouyang, Y., Tao, X., Feng, Y., Du, Y. (2010). Elastic constants and thermophysical properties of Al-Mg-Si alloys from first-principles calculations. International Journal of Materials Research 101 (11) : 1392-1397. ScholarBank@NUS Repository. https://doi.org/10.3139/146.110422
dc.identifier.issn18625282
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/98689
dc.description.abstractThe lattice constants and elastic constants for Al-Mg-Si alloys have been calculated by using first-principles total energy calculations within the generalized gradient approximation. The calculated results are in good agreement with available experimental and theoretical results. The polycrystalline shear modulus, Young's modulus and Poisson's ratio are also estimated from the calculated single crystalline elastic constants. The Young's modulus and shear modulus increase following the precipitation sequence in Al-Mg-Si. The Debye sound velocity, Debye temperature, Grüneisen constant, heat capacity and linear coefficients of thermal expansion are predicted for the considered Al-Mg-Si alloys based on the Debye-Grüneisen model. The calculated values of Mg2Si agree well with the previous experimental and theoretical results. © Carl Hanser Verlag GmbH & Co. KG.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.3139/146.110422
dc.sourceScopus
dc.subjectAl-Mg-Si
dc.subjectElastic constants
dc.subjectFirst-principles
dc.subjectHeat capacity
dc.subjectLinear coefficients of thermal expansion
dc.typeConference Paper
dc.contributor.departmentPHYSICS
dc.description.doi10.3139/146.110422
dc.description.sourcetitleInternational Journal of Materials Research
dc.description.volume101
dc.description.issue11
dc.description.page1392-1397
dc.identifier.isiut000284672000009
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