梁勇
,
赵新清
,
郑丰
,
肖克沈
,
胡壮麒
材料研究学报
以SF_6为光敏剂,用CW CO_2激光诱导气相Fe(CO)_5热解反应,在室温下高效率地制备出了γ-Fe 纳米粒子(20—40nm),并对其进行了分析和表征研究。
关键词:
γ-Fe
,
laser pyrolysis
,
Fe(CO)_5
,
nanopowders
余勇
,
潘晓霞
,
戎咏华
金属学报
doi:10.3321/j.issn:0412-1961.2007.01.001
利用分子静力学计算了γ-Fe中的空位(V)、自间隙原子(SIA)、间隙氦原子(HeI)和氦-空位(He-V)团簇的形成能.Fe-Fe,Fe-He和He-He原子间相互作用分别用修正嵌入原子法(MEAM)、Wilson-Johnson势和Beck势来描述.计算结果表明,SIA<100>形成能远小于α-Fe中的SIA<110>形成能,HeI在γ-Fe中的四面体间隙位最稳定.团簇HenV0,HenV1,HenV2和HenV3中的He原子数n分别达到2,5,9和11时即可形成Frenkel对来实现自捕陷,实现自捕陷时的He/V个数比不是定值,且随空位数的增加有逐渐下降趋势.
关键词:
γ-Fe
,
点缺陷
,
形成能
,
氦-空位团簇
,
自捕陷
YU Zongsen CHEN Ning University of Science and Technology Beijing
,
Beijing
,
China
金属学报(英文版)
Mechanism for diffusion of B in γ-Fe is believed to be mainly by means of boron-vacancy complexes other than as interstitial atoms previously.This was made of calculation on the ba- sis of theoretical model proposed by the authors.The calculated diffusion coefficient of B in γ-Fe after this mechanism is consistent with the experimental values.In addition,this is also supported by the non-equilibrium segregation phenomenon of B at grain boundaries of γ-Fe and the lattice constant measurement of Fe-B alloy.
关键词:
boron
,
null
,
null
,
null
,
null