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Abstract:
The site occupancy ordering behaviours of the alloying elementi in Ti-Al intermetallic compounds are of fundamental and technical importance. Based on the crystallographic information of Ti3Al and Ti2AlNb- based intermetallics , the two-sublattice model and three-sublattice model were established , respectively. The quantitative relationship among the site occupying fraction of the constituent elements vs. alloy composition and temperature were studied theoretically without referring experimental data as input. The predicted results show that for the ternary alloying element in D019-type Ti3A-based alloys ,Ga and Sn atoms occupy Al sites (2c) , while V ,Cr ,Mn ,Zr ,Nb ,Mo ,Ta and Zn atoms occupy Ti sites (6h). The site occupation of elements in alloys weakly depends on temperature. While in Ti2AlNb-based intermetallics , the predicted results show that the site occupying preference of the alloying elements V or Hf is similar to Ti (8g) ,and the Mo or Ta is similar to Nb (4c2). The alloys compositions have no significant influence on the site preference of Al atoms (4c1). The site occupation of elements in alloys change continuously with temperature except Al , which means there is a second order character concerning with the order-disorder transition. Compared with the study in literature referring to special supercell , the model employed in this contribution is not limited by the numbers of component or the alloy composition. More additional alloying elements contained in the same alloy can be calculated easily in a considerable accuracy.
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Year: 2012
Volume: 2
Page: 1519-1522
Language: English
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ESI Highly Cited Papers on the List: 0 Unfold All
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30 Days PV: 2
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