The activation of deformation mechanisms in face-centered cubic materials is considered closely related with the stacking fault energy. Experimentally determined stacking fault energy (SFE) values are exclusively positive. However, results obtained by first principle methods predict that the intrinsic SFE of metastable face-centered cubic metals and alloys is negative. It was previously shown that SFE values from the first principle methods and experiments can be reconciled by accounting for the resolved shear stress for Shockley partial dislocations. Determining this resolved shear stress for Shockley partial dislocations is experimentally challenging, making the reconciliation of experimental and first-principles SFE values a laborious exercise. In the present contribution, we demonstrate that the critical resolved shear stress for Shockley partial dislocations and SFE values can be determined from a single in-situ neutron diffraction experiment, thus enabling more confident and efficient reconciliation of experimental and theoretical SFE values.

中文翻译：

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面心立方高熵合金堆垛层错能的温度依赖性的实验和计算评估


面心立方材料变形机制的激活被认为与堆垛层错能密切相关。实验确定的堆垛层错能 (SFE) 值完全为正值。然而，通过第一原理方法获得的结果预测亚稳态面心立方金属和合金的本征 SFE 为负。先前表明，通过考虑肖克利部分位错的解析剪切应力，可以协调第一原理方法和实验的 SFE 值。确定肖克利部分位错的解析剪切应力在实验上具有挑战性，使得实验和第一原理 SFE 值的协调成为一项艰巨的工作。在本论文中，我们证明了肖克利部分位错的临界解析剪切应力和 SFE 值可以通过单个原位中子衍射实验确定，从而能够更加自信和有效地协调实验和理论 SFE 值。