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基于“固体与分子经验电子理论”(EET),计算了Al-5Zr中间合金熔体的价电子结构参数统计值,构建了高温与低温浇注时铝锆熔体中Al3Zr相的结晶过程模型,研究了浇注温度对Al-5Zr中间合金初生Al3Zr相形貌、尺寸及数量的影响。结果表明:随着浇注温度的升高,Al3Zr晶体的形貌由小块状逐渐长成长条状,平均尺寸增加,数量减少;当温度低于1000℃时,数量较多、A E?值较大的Al-Zr、Zr-Zr原子团簇不断聚集形核,最终形成大量小块状Al3Zr晶体;温度高于1000℃时,数量少、A E?值较大的Zr-Zr原子团簇聚集形核,从而形成数量较少的长条状Al3Zr晶体。建立的模型与实验结果符合较好。
Based on the “empirical electron theory of solid and molecule” (EET), the statistical valence electron structure parameters of Al-5Zr intermediate alloy melt were calculated and the crystallization process model of Al3Zr phase in Al-Zr melt was established , The effect of pouring temperature on the morphology, size and amount of primary Al3Zr phase in Al-5Zr master alloy was studied. The results show that with the increase of pouring temperature, the morphology of Al3Zr crystal grows in the shape of small strips and the average size increases and the number decreases. When the temperature is lower than 1000 ℃, the number is larger and the AE value is larger Al-Zr and Zr-Zr clusters continue to aggregate and form a large number of small Al3Zr crystals. When the temperature is higher than 1000 ℃, Zr-Zr clusters with fewer AE and AE values gather and form nuclei The formation of a small number of strip Al3Zr crystal. The established model is in good agreement with the experimental results.