非金属元素对工业纯钛相变温度影响的理论研究  

Theoretical Research on Influences of Non-Metal Elements on the Phase Transition Temperature of Commercial Pure Titanium

作　　者：林成[1] 刘志林[2] 尹桂丽[2] 

机构地区：[1]东北大学,辽宁沈阳110004 [2]辽宁工业大学,辽宁锦州121001

出　　处：《稀有金属材料与工程》2008年第4期571-576,共6页Rare Metal Materials and Engineering

基　　金：国家“973”计划(2007CB613807);国家自然科学基金(50471022)

摘　　要：基于"固体与分子经验电子理论",计算了工业纯钛中的α-Ti相及非金属元素形成的α-Ti-S(S代表O、N、C)相的价电子结构,并计算了α-Ti相及α-Ti-S相的α?β转变温度。计算结果表明,工业纯钛中的非金属元素氧、碳、氮能够显著提高α?β转变温度,扩大α相区,是稳定α相区的元素,这与实际情况相符合。Based on the empirical electron theory of solid and molecule （EET）, the valence electron structures of α-Ti and α-Ti-S （S denotes elements of O, N and C） which exist in commercial pure titanium were calculated, and the transition temperatures of α←→β were also calculated for α-Ti and α-Ti-S phases. The results show that the non-metal elements of oxygen, nitrogen and carbon in commercial pure titanium can markedly enhance the transition temperature of α←→β, and enlarge a phase zone, and they are the stable elements of a phase, the theoretically calculated results agree well with the practical situations

关 键 词：价电子结构 工业纯钛 非金属元素 相变温度 

分 类 号：TG146.23[一般工业技术—材料科学与工程]