Electronic Theory Analysis of Ti Refining Grain Size in Pure Aluminum

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Electronic Theory Analysis of Ti Refining Grain Size in Pure Aluminum
Vol. 31, Issue 7, Pages: 664-667(2011)
Published： 2011 ，
DOI：

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[1]张东升,王杰芳,苟微娟,刘忠侠.Ti对纯Al晶粒细化作用的电子理论分析[J].特种铸造及有色合金,2011,31(07):664-667.

Zhang Dongsheng, Wang Jiefang, Gou Weijuan, et al. Electronic Theory Analysis of Ti Refining Grain Size in Pure Aluminum. [J]. Special Casting & Nonferrous Alloys 31(7):664-667(2011)
[1]张东升,王杰芳,苟微娟,刘忠侠.Ti对纯Al晶粒细化作用的电子理论分析[J].特种铸造及有色合金,2011,31(07):664-667. DOI：

Zhang Dongsheng, Wang Jiefang, Gou Weijuan, et al. Electronic Theory Analysis of Ti Refining Grain Size in Pure Aluminum. [J]. Special Casting & Nonferrous Alloys 31(7):664-667(2011) DOI：

摘要

传统的相图理论无法从本质上解释Ti对纯Al的细化机理

特别是当加入少量（小于包晶成分）的Ti时

也可以使纯Al细化的现象。运用固体与分子经验电子理论（EET理论）研究了Ti、Al、AlTi和Al3Ti的价电子结构

通过计算共价电子对数和键能

指出了当加入微量的Ti时会形成以Al3Ti相为主的细化相

Al3Ti作为异质质点形核从而细化纯Al。

Abstract

The mechanism of Ti refining pure aluminum could not be described substantially by the theory of classical phase diagram

especially trace Ti on refining effects of pure Al. Valence electron structure of Ti

Al AlTi and Al3Ti phase was investigated by the empirical electron theory of solids and molecules （EET）

and covalent bond electron numbers and bonding energy were calculated. It is found that

with trace Ti addition

Al3Ti phase can be created in the pure Al to refine grain size as heterogeneous nuclei.

关键词

价电子结构键能Al3TiTi晶粒细化

Keywords

Valence Electron StructureBonding EnergyAl3TiTiGrain Refinement

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