基于蒙特卡罗随机模型,模拟铝钢焊接接头界面金属间化合物Fe2Al5的生长过程。针对Fe2Al5的特殊晶体结构,通过随机选定Fe2Al5的 c 轴方向与形核界面的夹角来确定晶粒生长取向,以实际焊接过程的热循环作为模型的温度参考,采用局部抽象的...基于蒙特卡罗随机模型,模拟铝钢焊接接头界面金属间化合物Fe2Al5的生长过程。针对Fe2Al5的特殊晶体结构,通过随机选定Fe2Al5的 c 轴方向与形核界面的夹角来确定晶粒生长取向,以实际焊接过程的热循环作为模型的温度参考,采用局部抽象的网格之间的结合能的变化作为生长驱动力来建立模型。模拟结果表明,不同形核取向下的晶粒生长存在明显的竞争生长现象,而夹角为90°的晶粒生长竞争优势明显,使界面上生长的Fe2Al5呈现“板条状”分布,导致这一现象的根本影响因素为Fe,Al原子在Fe2Al5晶粒中的扩散机制不同,这与实际的试验结果非常符合。展开更多
The crystallographic and magnetic structures of Er2Fe15Al2 and Er2Fe12Al5 have been refined in Gaussian peak-shape by Rietveld analysis of Neutron diffrac- tion data. The refined results indicated that Er2Fe15Al2 comp...The crystallographic and magnetic structures of Er2Fe15Al2 and Er2Fe12Al5 have been refined in Gaussian peak-shape by Rietveld analysis of Neutron diffrac- tion data. The refined results indicated that Er2Fe15Al2 compound has Th2Ni17-type hexagonal structure （space group: P63/mmc） and Er2Fe12Al5 has Th2Zn17-type rhom- bohedral structure （space group:R 3m）. The Al atoms prefer 12j and 12k sites with occupancies 0.21 and 0.13, respectively, in Er2Fe15Al2 and prefer 18f, 18h and 6c sites with occupancies 0.35, 0.36 and 0.37, respectively, in Er2Fe12Al5. The magnetic mo- ments of all Fe atoms display ferromagnetically arrangement and the moments of Er atoms couple ferrimagnetically to the moments of the Fe atoms. The moments lie in the plane perpendicular to the six-fold axis and exhibit planar magnetic anisotropy in both samples. The values of To were given and the neutron refined results coincide with that of the magnetic measurements. The relation between magnetic properties and structures was discussed.展开更多
文摘基于蒙特卡罗随机模型,模拟铝钢焊接接头界面金属间化合物Fe2Al5的生长过程。针对Fe2Al5的特殊晶体结构,通过随机选定Fe2Al5的 c 轴方向与形核界面的夹角来确定晶粒生长取向,以实际焊接过程的热循环作为模型的温度参考,采用局部抽象的网格之间的结合能的变化作为生长驱动力来建立模型。模拟结果表明,不同形核取向下的晶粒生长存在明显的竞争生长现象,而夹角为90°的晶粒生长竞争优势明显,使界面上生长的Fe2Al5呈现“板条状”分布,导致这一现象的根本影响因素为Fe,Al原子在Fe2Al5晶粒中的扩散机制不同,这与实际的试验结果非常符合。
基金Nuclear Industry Science Foundation !(H7196B0109) National Nature Science Foun dation of China (19835050)
文摘The crystallographic and magnetic structures of Er2Fe15Al2 and Er2Fe12Al5 have been refined in Gaussian peak-shape by Rietveld analysis of Neutron diffrac- tion data. The refined results indicated that Er2Fe15Al2 compound has Th2Ni17-type hexagonal structure （space group: P63/mmc） and Er2Fe12Al5 has Th2Zn17-type rhom- bohedral structure （space group:R 3m）. The Al atoms prefer 12j and 12k sites with occupancies 0.21 and 0.13, respectively, in Er2Fe15Al2 and prefer 18f, 18h and 6c sites with occupancies 0.35, 0.36 and 0.37, respectively, in Er2Fe12Al5. The magnetic mo- ments of all Fe atoms display ferromagnetically arrangement and the moments of Er atoms couple ferrimagnetically to the moments of the Fe atoms. The moments lie in the plane perpendicular to the six-fold axis and exhibit planar magnetic anisotropy in both samples. The values of To were given and the neutron refined results coincide with that of the magnetic measurements. The relation between magnetic properties and structures was discussed.
