Ti-Mo合金的结构及吸放氢性能研究

INVESTIGATION OF THE STRUCTURE AND THE PROPERTY OF HYDROGEN STORAGE Ti-Mo ALLOYS

利用X衍射等技术对纯钛和5种成分(Ti-5,10,20,30和40Mo,质量分数, ％)Ti—Mo二元合金吸氢前后的相组成、晶格常数变化和吸氢特性进行了研究.结果显示: 5种成分Ti—Mo合金饱和吸氢后均形成了较单一的面心立方δ相氢化物(Ti(1-x)MoxH1.97).δ相晶格常数随Mo含量增加先呈增加趋势,约10％Mo含量处达最大值,Mo含量继续增加则呈降低趋势,而体心立方β相TiMo合金的晶格常数随Mo含量的增加呈单一的减小趋势.随Mo含量的增加,氢化物的室温平衡压逐渐增加,但含Mo量不大于10％时,增加量并不明显.结合第一原理计算的相应结果,对上述现象进行讨论.

By using X-ray diffraction the phase composition, variation of lattice constant and hydrogen absorption properties of pure Ti and five Ti-Mo binary alloys, namely Ti-5, 10, 20, 30 and 40Mo (mass fraction, %) were tested. The results reveal that the single fcc δ phase hydride (Ti(1-x)MoxH1.97) formed after saturated hydrogenation of five Ti-Mo binary alloys. The lattice constant of the 6 phase rises with increasing Mo content and reaches the maximum value when Mo content is about 10%, then drops with more increasing Mo content. While the lattice constant of bcc β Ti-Mo alloy decreases with increasing Mo content. The equilibrium pressure of hydride at room temperature increases gradually with increasing Mo content. But the tendency is not obvious when the Mo content is below 10%. The discussion was made about the above phenomenon based on related results derived from the first-principles calculation.