论文标题

三连接几何形状的相对晶界能:假设纳米晶薄膜中的鲱鱼条件的局限性

Relative Grain Boundary Energies from Triple Junction Geometry: Limitations to Assuming the Herring Condition in Nanocrystalline Thin Films

论文作者

Patrick, Matthew J., Rohrer, Gregory S., Chirayutthanasak, Ooraphan, Ratanaphan, Sutach, Homer, Eric R., Hart, Gus L. W., Epshteyn, Yekaterina, Barmak, Katayun

论文摘要

晶界特征分布(GBCD)通常通过电子反向散射衍射(EBSD)从散装微晶样品(EBSD)进行测量,并且可以根据三重线的3D几何形状来重建相对晶界能量分布(GBED),并假设能力平衡的鲱鱼条件是满足力平衡的。这些GBED与分子动力学(MD)预测的GBED相关。此外,发现GBCD和GBED是成反比的。对于纳米晶薄膜,通过进动增强的电子衍射(PED)的方向映射已被证明有效地测量了GBCD,但尚未提取GBED。在这里,已建立的相对能量提取技术适用于四个溅射沉积样品的PED数据:40 nm厚的钨膜和100 nm的铝制膜,在30分钟和150分钟后在400°C退火后。这些薄膜具有柱状晶粒结构,因此不需要串行切片来确定边界倾斜度。除了最能耗能的各向异性和最高种群边界(即铝σ3边界)外,从这些数据中提取的相对GBED与使用MD计算的能量不相关,也不与它们与实验确定的GBCD成eys tungsten或Aluminum Films相关。未能再现预测的能量趋势意味着不能应用常规的鲱鱼方程来确定相对GBEDS,因此在这些薄膜中的三重连接处的几何形状并不能很好地描述这种情况。其他几何因素必须有助于确定在空间约束的多晶材料中确定三连接几何形状和边界网络结构。

Grain boundary character distributions (GBCD) are routinely measured from bulk microcrystalline samples by electron backscatter diffraction (EBSD) and serial sectioning can be used to reconstruct relative grain boundary energy distributions (GBED) based on the 3D geometry of triple lines, assuming that the Herring condition of force balance is satisfied. These GBEDs correlate to those predicted from molecular dynamics (MD); furthermore, the GBCD and GBED are found to be inversely correlated. For nanocrystalline thin films, orientation mapping via precession enhanced electron diffraction (PED) has proven effective in measuring the GBCD, but the GBED has not been extracted. Here, the established relative energy extraction technique is adapted to PED data from four sputter deposited samples: a 40 nm-thick tungsten film and a 100 nm aluminum film as-deposited, after 30 and after 150 minutes annealing at 400°C. These films have columnar grain structures, so serial sectioning is not required to determine boundary inclination. Excepting the most energetically anisotropic and highest population boundaries, i.e. aluminum Σ3 boundaries, the relative GBED extracted from these data do not correlate with energies calculated using MD nor do they inversely correlate with the experimentally determined GBCD for either the tungsten or aluminum films. Failure to reproduce predicted energetic trends implies that the conventional Herring equation cannot be applied to determine relative GBEDs and thus geometries at triple junctions in these films are not well described by this condition; additional geometric factors must contribute to determining triple junction geometry and boundary network structure in spatially constrained, polycrystalline materials.

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