The existing theories of diffusion of gas-filled and empty bubbles in solids as yet do not have sufficient predictive power and require refinements that can be made using simulation. The method of the accelerated molecular dynamics simulation of the bubble drift in a pressure gradient is theoretically substantiated in this work. This method is used to calculate the diffusion coefficient of empty nanobubbles in aluminum. The theory of diffusion by means of the formation of critical terraces on the faces is supplemented in such a way that there is no contradiction with the continuous model for macroscopic dimensions. The simulation results show the key role of the formation mechanism of terraces in nanobubbles and confirm the amended theory. The inclusion of the effect of gas makes it possible to compare the simulation results with experimental data. The comparison also confirms the formation mechanism of terraces.

现有的气体填充和气泡在固体中扩散的现有理论还没有足够的预测能力，因此需要使用模拟进行改进。在这项工作中理论上证实了气泡在压力梯度中漂移的加速分子动力学模拟方法。该方法用于计算铝中空纳米气泡的扩散系数。通过在表面上形成临界台阶的扩散理论得到了补充，使得与宏观尺寸的连续模型没有矛盾。仿真结果表明了纳米气泡中台阶形成机制的关键作用，并证实了修正理论。包含气体的影响使得可以将模拟结果与实验数据进行比较。