Abstract

Segregation and grain boundary sliding were studied using atomistic modeling methods for special Σ5{013}〈100〉 and Σ5{012}〈100〉 grain boundaries in Al–3 at % Mg and Al–3 at % Ni alloys bicrystals. To reveal the mechanisms controlling the sliding processes, the energy of generalized grain boundary stacking faults (GB-SF) was determined in the plane of grain boundaries, the crystallography of grain boundary shears was analyzed, and the preferable directions and energy barrier of grain boundary sliding were established. It was shown that alloying with Mg and Ni essentially modified the GB-SF energy, increasing the resistance to sliding.

中文翻译：

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合金元素偏析对Al-Mg和Al-Ni合金双晶中晶界滑动的影响：原子建模

摘要

使用原子建模方法研究了Al-3（％Mg）和Al-3（％Ni）合金双晶中特殊Σ5{013} 〈100〉和Σ5{012} 〈100〉的晶界的偏析和晶界滑动。为了揭示控制滑动过程的机理，在晶界平面内确定了广义晶界堆积断层的能量（GB-SF），分析了晶界剪切的晶体学，并确定了晶界的优选方向和能垒建立滑动。结果表明，与Mg和Ni合金化实质上改变了GB-SF能量，从而增加了抗滑动性。