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金属缺陷的正电子技术与密度泛函理论
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作者 黄素梅 张端明 《广西师范大学学报(自然科学版)》 CAS 1992年第4期40-43,共4页
本文以密度泛函理论为基础,利用简化的胶体模型,在局域密度近似下,系统地研究了金属中点缺陷和类点缺陷的电子结构,以及以正电子寿命为表征的缺陷谱,以AL为样品,计算了单空位和2,4,6,8,13,27空位的电子结构和正电子寿命,并探讨了理论计... 本文以密度泛函理论为基础,利用简化的胶体模型,在局域密度近似下,系统地研究了金属中点缺陷和类点缺陷的电子结构,以及以正电子寿命为表征的缺陷谱,以AL为样品,计算了单空位和2,4,6,8,13,27空位的电子结构和正电子寿命,并探讨了理论计算结果对研究固体电子结构和正电子湮没实验的实用价值。 展开更多
关键词 正电子湮没寿命 密度泛函理论 胶体模型
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胶体模型与金属中点缺陷的研究
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作者 张端明 黄素梅 唐超群 《核技术》 EI CAS CSCD 北大核心 1994年第4期201-204,共4页
在用胶体模型的密度泛函理论方法系统地计算金属Al中的点缺陷和类点缺陷电子结构的基础上,参照有关的实验资料进行比较,探讨了胶体模型方法的可靠性、局限性及对其局限性的修正方法.分析比较了胶体模型、Puska的无相互作用原... 在用胶体模型的密度泛函理论方法系统地计算金属Al中的点缺陷和类点缺陷电子结构的基础上,参照有关的实验资料进行比较,探讨了胶体模型方法的可靠性、局限性及对其局限性的修正方法.分析比较了胶体模型、Puska的无相互作用原子模型、FLAPW等常见的密度泛函理论计算方案,探讨了各自的利弊。得出了胶体模型方法对于研究金属中的小微空洞(平均半径小于4nm)是一种有效、简捷的近似计算方法的结论. 展开更多
关键词 正电子湮没 密度泛函理论 胶体模型
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Interstitial Solution Carbon Concentration and Defects of Ti+Nb ULC-BH Steel by Internal Friction and Positron Annihilation Methods
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作者 Ji-ping CHEN Yong-lin KANG 《Journal of Iron and Steel Research International》 SCIE EI CAS CSCD 2014年第1期91-97,共7页
The interstitial solution carbon concentration and defects in continuously annealed Ti+Nb bearing ULC- BH (ultra-low carbon bake hardening) steel samples are investigated by multi-functional internal friction appar... The interstitial solution carbon concentration and defects in continuously annealed Ti+Nb bearing ULC- BH (ultra-low carbon bake hardening) steel samples are investigated by multi-functional internal friction apparatus, positron annihilation lifetime spectroscopy (PALS) and coincidence Doppler broadening spectroscopy (CDBS). The relationship of internal friction peaks, interstitial solution carbon concentrations and movable dislocations in the sam- ples under different conditions is analyzed. A correlation of lifetime component v~ values with interstitial solution car- bon concentrations in the samples for different continuous annealing processes is established, while a correlation of li- fetime component r2 values with multi-vacancies, vacancy clusters, microvoids and other types of defects for various continuous annealing processes is also demonstrated. Furthermore, the average lifetime results illustrate the overall defect densities for various continuous annealing processes. The CDBS analysis reflects the chemical surroundings of the defects at the annihilation sites and reveals that the peak heights of the ratio curves relate to the total number of defects such as interstitial carbon atoms, dislocations, vacancies and other types of defects. The results show that in- ternal friction, PALS and CDBS are effective techniques to identify and characterize the interstitial solution carbon concentration, multi-vacancies, vacancy clusters, microvoids and other types of microscopic defects in annealed Ti+ Nb bearing ULC-BH steel. 展开更多
关键词 ULC-BH steels internal frictions positron annihilation lifetimes coincidence Doppler broadening
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