Stacking faults and the -surface on first-order pyramidal planes in -titanium

Using first principles methods, we calculated the entire -surface of the first-order pyramidal planes in -titanium. Slip on these planes involving dislocations with -type Burgers vectors is one means by which -titanium polycrystals may supplement slip on prism planes with -type Burgers vectors to maintain ductility. We find one low energy and one high energy stacking fault with energies of 163 and 681 , respectively. Contrary to previous suggestions, we do not find a stable stable stacking fault at .

本研究采用第一性原理方法（first principles methods），计算了α钛（α-titanium）一阶锥面的全表面。在这些锥面上发生的、涉及<a>型柏氏矢量（<a>-type Burgers vectors）位错的滑移，是α钛多晶体用以补充具有<a>型柏氏矢量的棱柱面（prism planes）滑移、从而维持塑性变形能力的途径之一。本研究发现了低能层错与高能层错各一处，其层错能分别为163与681。与此前的研究结论相悖，我们并未在[原文未明确的位置]处发现稳定层错。