Matusalem Filipe, Santos Rego Jéssica, de Koning Maurice
Instituto de Física "Gleb Wataghin", Universidade Estadual de Campinas, UNICAMP, Campinas, 13083-859 São Paulo, Brazil.
Center for Computing in Engineering & Sciences, Universidade Estadual de Campinas, UNICAMP, Campinas, 13083-861 São Paulo, Brazil.
Proc Natl Acad Sci U S A. 2022 Nov 8;119(45):e2203397119. doi: 10.1073/pnas.2203397119. Epub 2022 Nov 2.
Due to their potential role in the peculiar geophysical properties of the ice giants Neptune and Uranus, there has been a growing interest in superionic (SI) phases of water ice. So far, however, little attention has been given to their mechanical properties, even though plastic deformation processes in the interiors of planets are known to affect long-term processes, such as plate tectonics and mantle convection. Here, using density functional theory calculations and machine learning techniques, we assess the mechanical response of high-pressure/temperature solid phases of water in terms of their ideal shear strength (ISS) and dislocation behavior. The ISS results are well described by the renormalized Frenkel model of ideal strength and indicate that the SI ices are expected to be highly ductile. This is further supported by deep neural network molecular dynamics simulations for the behavior of lattice dislocations for the SI face-centered cubic (fcc) phase. Dislocation velocity data indicate effective shear viscosities that are orders of magnitude smaller than that of Earth's lower mantle, suggesting that the plastic flow of the internal icy layers in Neptune and Uranus may be significantly faster than previously foreseen.
由于水冰在冰巨行星海王星和天王星独特的地球物理性质中可能发挥的作用,人们对水冰的超离子(SI)相越来越感兴趣。然而,到目前为止,尽管已知行星内部的塑性变形过程会影响诸如板块构造和地幔对流等长期过程,但人们对其力学性质关注甚少。在这里,我们使用密度泛函理论计算和机器学习技术,根据其理想剪切强度(ISS)和位错行为来评估高压/高温水固相的力学响应。理想剪切强度结果可以很好地用理想强度的重整化弗伦克尔模型来描述,这表明超离子冰预计具有高延展性。面心立方(fcc)相超离子冰的晶格位错行为的深度神经网络分子动力学模拟进一步支持了这一点。位错速度数据表明,其有效剪切粘度比地球下地幔的粘度小几个数量级,这表明海王星和天王星内部冰层的塑性流动可能比之前预想的要快得多。