ATOMIC STATES AND BRITTLENESS OF hcp Ti3Al-ORDERED-TYPE ALLOYS
来源期刊：Acta Metallurgica Sinica2007年第4期
论文作者：H.J. Peng Y.Q. Xie
Key words：Ti3Al alloy; atomic state; brittleness;
Abstract: On the basis of the framework of systematic science of alloys (SSA), the basic information such as states, volumes, and potential energies of characteristic atoms in hcp Ti-Al system have been determined. The average atomic state of the hcp Ti3Al compound consisting of ψTi4 and ψAl0 atoms is 0.75[Ar] (3dn)0.573 (3dc)2.1685 (4sc)0.972 (4sf)0.3093 + 0.25[Ne] (3sc)1.32(3pc)1.19(3sf + 3pf)0.49. The brittleness of the ordered hcp Ti3Al compound has been discussed considering the fundamental factors, which are atomic states, bond networks, potential energy wave planes, and the ratio xT1/xAl. The existence of more pc and more dc directional electrons in the hcp Ti3Al compound lead to considerable brittleness; From bond networks and potential energy wave planes, the hcp Ti3Al compound has poorer ductility than the pure hcp Ti metal and the pure fcc Al metal; The Al-rich hcp Ti3Al ordered type alloys have poorer ductility than the Ti-rich hcp Ti3Al ordered type alloys.
H.J. Peng1，Y.Q. Xie2
(1.College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China;
2.College of Materials Science and Engineering, Central South University, Changsha 410083, China)
Abstract:On the basis of the framework of systematic science of alloys (SSA), the basic information such as states, volumes, and potential energies of characteristic atoms in hcp Ti-Al system have been determined. The average atomic state of the hcp Ti3Al compound consisting of ψTi4 and ψAl0 atoms is 0.75[Ar] (3dn)0.573 (3dc)2.1685 (4sc)0.972 (4sf)0.3093 + 0.25[Ne] (3sc)1.32(3pc)1.19(3sf + 3pf)0.49. The brittleness of the ordered hcp Ti3Al compound has been discussed considering the fundamental factors, which are atomic states, bond networks, potential energy wave planes, and the ratio xT1/xAl. The existence of more pc and more dc directional electrons in the hcp Ti3Al compound lead to considerable brittleness; From bond networks and potential energy wave planes, the hcp Ti3Al compound has poorer ductility than the pure hcp Ti metal and the pure fcc Al metal; The Al-rich hcp Ti3Al ordered type alloys have poorer ductility than the Ti-rich hcp Ti3Al ordered type alloys.
Key words:Ti3Al alloy; atomic state; brittleness;
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