Nanoscale mechanical behavior of kaolinite as a fundamental failure mechanism has been investigated under uniaxial tension and compression using Molecular Dynamics (MD) simulation methods. External deformation has been applied on kaolinite with a strain rate of 5 × 10⁻⁷fs⁻¹ for tensile and compressive tests in the directions parallel (x-, y-direction)/perpendicular (z-direction) to clay mineral layers. Results showed that better mechanical performance was presented in the directions parallel to clay mineral layers than the other direction due to its continuous lattice in this plane. However, the elastic modulus of kaolinite in the z-direction was almost half of that in the other directions, which nearly equals the overall elastic modulus of kaolinite with a value of about 72.6 GPa. Compression in the x- and y-directions resulted in the separation of clay mineral layers then bending toward the octahedral sheet till crack. Compression in the z-direction resulted in slippage of clay mineral layers at the first fracture then resistance till the second fracture at the strain of about 0.2. Tension would cause cracks in the direction perpendicular to the strain direction, which may be a cleavage fracture or cracks in clay mineral sheets. Different failure modes under tension and compression were originated from the layered structure of kaolinite.

高岭石的纳米级力学行为作为基本的破坏机理已经使用分子动力学（MD）模拟方法在单轴拉伸和压缩下进行了研究。在与粘土矿物层平行（x-，y-方向）/垂直（z-方向）的方向上进行拉伸和压缩测试时，已在应变率为5×10 ^-7 fs ^-1的高岭石上施加了外部变形。结果表明，与粘土矿物层平行的方向比另一个方向的机械性能更好，这是由于其在该平面中连续的晶格。但是，z中高岭石的弹性模量方向几乎是其他方向的一半，几乎等于高岭石的总弹性模量，其值约为72.6 GPa。在x和y方向上的压缩导致粘土矿物层的分离，然后向八面体板弯曲直至破裂。z方向的压缩导致粘土矿物层在第一个裂缝处滑动，然后在阻力为0.2的第二个裂缝处滑动。张力会在垂直于应变方向的方向上产生裂纹，这可能是乳沟破裂或粘土矿物板中的裂纹。拉伸和压缩下的不同破坏模式源自高岭石的层状结构。