Condensed Matter Theory, Department of Theoretical Physics, AlbaNova University Center, Royal Institute of Technology (KTH), 106 91 Stockholm, Sweden.
Phys Rev Lett. 2010 Jun 18;104(24):245703. doi: 10.1103/PhysRevLett.104.245703. Epub 2010 Jun 16.
Large scale molecular dynamics simulations of iron at high pressure and temperature are performed to investigate the physics of shear softening. A solid 16×10(6) atoms sample of iron is grown out of the liquid with a small solid immersed in it at the start of simulation. We observe that diffusion in the sheared solid is similar to that in liquid, even though at different time scales. This allows us to describe the time dependence of shear stress in terms of elastic and hydrodynamic relaxation. The elastic response of the sample is close to the elastic response of Earth's inner core. This explains the abnormally low shear modulus in the core. The reason for the low shear modulus is the presence of defects of the crystal structure.
采用大规模分子动力学模拟方法对高温高压下的铁进行了研究,目的是探索剪切软化的物理机制。在模拟开始时,我们从液态铁中生长出一个包含一小部分固体的 16×10(6) 个原子的固态样品。我们发现,即使在不同的时间尺度下,剪切固态中的扩散与液态中的扩散相似。这使得我们可以用弹性和流体动力学弛豫来描述剪切应力的时间依赖性。样品的弹性响应与地球内核对弹性的响应非常接近。这解释了内核中异常低的剪切模量。剪切模量低的原因是晶体结构缺陷的存在。