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The role of grain boundary character in solute segregation and thermal stability of nanocrystalline Pt–Au
Nanoscale ( IF 6.7 ) Pub Date : 2021-1-25 , DOI: 10.1039/d0nr07180c Christopher M. Barr 1, 2, 3, 4, 5 , Stephen M. Foiles 1, 2, 3, 4, 5 , Malek Alkayyali 6, 7, 8, 9 , Yasir Mahmood 6, 7, 8, 9 , Patrick M. Price 1, 2, 3, 4, 5 , David P. Adams 1, 2, 3, 4, 5 , Brad L. Boyce 1, 2, 3, 4, 5 , Fadi Abdeljawad 6, 7, 8, 9, 10 , Khalid Hattar 1, 2, 3, 4, 5
Nanoscale ( IF 6.7 ) Pub Date : 2021-1-25 , DOI: 10.1039/d0nr07180c Christopher M. Barr 1, 2, 3, 4, 5 , Stephen M. Foiles 1, 2, 3, 4, 5 , Malek Alkayyali 6, 7, 8, 9 , Yasir Mahmood 6, 7, 8, 9 , Patrick M. Price 1, 2, 3, 4, 5 , David P. Adams 1, 2, 3, 4, 5 , Brad L. Boyce 1, 2, 3, 4, 5 , Fadi Abdeljawad 6, 7, 8, 9, 10 , Khalid Hattar 1, 2, 3, 4, 5
Affiliation
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Nanocrystalline (NC) metals suffer from an intrinsic thermal instability; their crystalline grains undergo rapid coarsening during processing treatments or under service conditions. Grain boundary (GB) solute segregation has been proposed to mitigate grain growth and thermally stabilize the grain structures of NC metals. However, the role of GB character in solute segregation and thermal stability of NC metals remains poorly understood. Herein, we employ high resolution microscopy techniques, atomistic simulations, and theoretical analysis to investigate and characterize the impact of GB character on segregation behavior and thermal stability in a model NC Pt–Au alloy. High resolution electron microscopy along with X-ray energy dispersive spectroscopy and automated crystallographic orientation mapping is used to obtain spatially correlated Pt crystal orientation, GB misorientation, and Au solute concentration data. Atomistic simulations of polycrystalline Pt–Au systems are used to reveal the plethora of GB segregation profiles as a function of GB misorientation and the corresponding impact on grain growth processes. With the aid of theoretical models of interface segregation, the experimental data for GB concentration profiles are used to extract GB segregation energies, which are then used to elucidate the impact of GB character on solute drag effects. Our results highlight the paramount role of GB character in solute segregation behavior. In broad terms, our approach provides future avenues to employ GB segregation as a microstructure design strategy to develop NC metallic alloys with tailored microstructures.
中文翻译：
晶界特征在Pt-Au纳米晶溶质偏析和热稳定性中的作用
纳米晶体（NC）金属具有固有的热不稳定性。它们的晶粒在加工过程中或在使用条件下会迅速变粗。已经提出晶界（GB）溶质偏析以减轻晶粒生长并热稳定NC金属的晶粒结构。然而，对GB特性在NC金属的溶质偏析和热稳定性中的作用仍然知之甚少。本文中，我们采用高分辨率显微镜技术，原子模拟和理论分析来研究和表征GB特性对NC Pt-Au合金模型中的偏析行为和热稳定性的影响。高分辨率电子显微镜以及X射线能量色散光谱和自动的晶体学取向映射用于获得与空间相关的Pt晶体取向，GB取向度和金溶质浓度数据。多晶Pt–Au系统的原子模拟被用来揭示GB偏析的过多与GB取向失调有关，以及对晶粒生长过程的相应影响。借助界面偏析的理论模型，GB浓度曲线的实验数据可用于提取GB偏析能，然后用于阐明GB字符对溶质拖曳效应的影响。我们的结果强调了GB字符在溶质偏析行为中的最重要作用。从广义上讲，
更新日期：2021-01-25
中文翻译：
晶界特征在Pt-Au纳米晶溶质偏析和热稳定性中的作用
纳米晶体（NC）金属具有固有的热不稳定性。它们的晶粒在加工过程中或在使用条件下会迅速变粗。已经提出晶界（GB）溶质偏析以减轻晶粒生长并热稳定NC金属的晶粒结构。然而，对GB特性在NC金属的溶质偏析和热稳定性中的作用仍然知之甚少。本文中，我们采用高分辨率显微镜技术，原子模拟和理论分析来研究和表征GB特性对NC Pt-Au合金模型中的偏析行为和热稳定性的影响。高分辨率电子显微镜以及X射线能量色散光谱和自动的晶体学取向映射用于获得与空间相关的Pt晶体取向，GB取向度和金溶质浓度数据。多晶Pt–Au系统的原子模拟被用来揭示GB偏析的过多与GB取向失调有关，以及对晶粒生长过程的相应影响。借助界面偏析的理论模型，GB浓度曲线的实验数据可用于提取GB偏析能，然后用于阐明GB字符对溶质拖曳效应的影响。我们的结果强调了GB字符在溶质偏析行为中的最重要作用。从广义上讲，
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