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考虑表面效应,利用改进Miedema模型推导得到纳米二元合金形成焓的计算公式,并将它用于二元Ti-M(M=Si,Fe,Zn,Tc,Cd,Re,Os,Pb,Bi)纳米合金形成焓的研究。结果表明,对于同一成分的纳米合金来说,随着晶粒粒径的减小,形成焓增加,合金稳定性降低。晶粒尺寸在10nm以下时,成分聚集现象十分明显,合金的聚集方向和聚集程度由聚集驱动能控制。
Considering the surface effect, the formula for calculating the formation enthalpy of nano-binary alloys is deduced by using the improved Miedema model, and it is used in the binary Ti-M (M = Si, Fe, Zn, Tc, Cd, Re, Os, Pb, Bi Study on Formation Enthalpies of Nanostructures. The results show that for the same composition of nano-alloy, as the grain size decreases, the enthalpy of formation increases and the stability of the alloy decreases. When the grain size is under 10nm, the component aggregation phenomenon is very obvious. The aggregation direction and aggregation degree of the alloy are controlled by the aggregation driving energy.