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Experimental and first-principles investigation of crystal structure of powder metallurgy Al-1.1Sc and Al-2Sc alloys
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作者 Hamza Yasar OCAK ercan ugun Rahmi NAL 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2013年第10期3020-3026,共7页
Al-1.1%Sc and A1-2%Sc (mass fraction) alloys were prepared using gas atomized alloy particles. Samples from consolidated alloys were analyzed by XRD for the determination of lattice parameters. Using these lattice p... Al-1.1%Sc and A1-2%Sc (mass fraction) alloys were prepared using gas atomized alloy particles. Samples from consolidated alloys were analyzed by XRD for the determination of lattice parameters. Using these lattice parameters, the mechanical properties of the alloys were calculated theoretically with WIEN2k and EMTO programs, respectively. The elasticity moduli of the experimentally produced alloys were compared with the theoretical calculation results. The calculated mechanical properties of A13Sc phase and A1-Sc alloys were discussed to determine the optimum Sc content of Al-Sc alloys. It may be concluded that the Sc content should be the maximum about 1.0%, much more Sc addition could not improve the mechanical properties of the alloys. 展开更多
关键词 A1-Sc alloy lattice constant elastic properties Ab initio calculations first principles
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