论文标题
修改的langmuir-meclean晶界隔离模型中的肤色
Complexions in a modified Langmuir-McLean model of grain boundary segregation
论文作者
论文摘要
Langmuir-McLean等温线通常被解释为为最可能的晶粒边界隔离提供近似值，这是批量的摩尔溶质分数$ x_b $的函数，即使$ x_b $不是自由能量最小化的独立参数。在本文中，表明指定的$ x_b $的最可能的隔离与标准Langmuir-McLean关系不同。衍生方程的数值解表明，两个潜在的稳定界面组成与大多数散装组成有关。一种溶液代表沿边界相对于散装的边界过量溶质过量的状态，而另一种则代表赤字。界面和大容量之间的空置含量比在确定衍生等温线的形状方面起着重要作用。
The Langmuir-McLean isotherm is often interpreted as providing an approximation to the most probable grain boundary segregation as a function of the bulk mole solute fraction $x_B$, even though $x_B$ is not an independant parameter in the free energy minimization on which it is based. In this paper it is shown that the most probable segregation for a specified $x_B$ differs from the standard Langmuir-McLean relation. Numerical solution of the derived equation suggests that two potentially stable interface compositions are associated with most bulk compositions. One solution represents a state with an excess of solute along the boundary relative to the bulk, while the other represents a deficit. The vacancy content ratio between the interface and the bulk plays a large role in determining the shape of the derived isotherm.
