Abstract

The Irving–Kirkwood stress tensor has been calculated in a spherical slit inside an amorphous solid, with the slit simulating an adsorbate-containing spherical pore in an adsorbent. Both normal and tangential components of the stress tensor have been calculated. Although their local variations are similar, the normal component is about two times higher than the tangential one. At a preset slit width, the stress tensor components take different values on the surfaces bounding the slit, and the absolute values of the components on a nanoparticle surface are higher than those on a macrophase surface. The contribution of an empty cavity to the stresses of a spherical film has been estimated to be insignificant. The disjoining pressure of the spherical slit has been calculated and compared with that in a plane-parallel slit. The average difference between the two functions is approximately 20%. It is seen that the slit curvature leads to an increase in the absolute value of the disjoining pressure along the entire slit.

中文翻译：

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具有色散相互作用的球形狭缝中的局部应力

摘要

Irving-Kirkwood 应力张量是在无定形固体内的球形狭缝中计算的，该狭缝模拟吸附剂中含有吸附质的球形孔。应力张量的法向分量和切向分量都已计算。尽管它们的局部变化相似，但法向分量比切向分量高出大约两倍。在预设的狭缝宽度下，狭缝边界表面的应力张量分量取不同的值，纳米粒子表面的应力张量分量的绝对值高于宏观相表面的分量。据估计，空腔对球形薄膜应力的贡献微不足道。计算了球形狭缝的分离压力并与平面平行狭缝中的分离压力进行了比较。两个函数之间的平均差异约为 20%。可以看出，狭缝曲率导致沿整个狭缝分离压力的绝对值增加。