Mechanical alloying of MoSib>2b> with ternary alloying elements. Part 2 computer simulation

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• 作者：Heron ; A.J. ; Schaffer ; G.B.
• 关键词：MoSib>2b> ; Mechanical alloying ; Computer simulation
• 刊名：Materials Science and Engineering ; A
• 出版年：2003
• 期刊代码：61_09215093
• 类别：ms
• 出版时间：October 25, 2003
• 卷：359
• 期：1-2
• 页码：319-325
• 文件大小：769 K

摘要

A computer model of the mechanical alloying process has been developed to simulate phase formation during the mechanical alloying of Mo and Si elemental powders with a ternary addition of Al, Mg, Ti or Zr. Using the Arhennius equation, the model balances the formation rates of the competing reactions that are observed during milling. These reactions include the formation of tetragonal C11b>bb> MoSib>2b> (t-MoSib>2b>) by combustion, the formation of the hexagonal C40 MoSib>2b> polymorph (h-MoSib>2b>), the transformation of the tetragonal to the hexagonal form, and the recovery of t-MoSib>2b> from h-MoSib>2b> and deformed t-MoSib>2b>. The addition of the ternary additions changes the free energy of formation of the associated MoSib>2b> alloys, i.e. Mo(Si, Al)b>2b>, Mo(Mg, Al)b>2b>, (Mo, Ti)Sib>2b>, (Mo, Zr)Sib>2b> and (Mo, Fe)Sib>2b>, respectively. Variation of the energy of formation alone is sufficient for the simulation to accurately model the observed phase formation.