金属钛中氦团簇融合的分子动力学模拟

运用分子动力学方法研究了金属钛中氦的扩散聚集行为.在300—800K的温度范围内，模拟了钛基底中氦团簇之间的融合过程.研究发现，温度的升高会加快氦团簇的融合.在300—800K，融合后的氦团簇在所模拟的时间尺度内三维结构保持不变.模拟结果还表明，常温下氦团簇之间的吸引力是导致氦团簇融合的重要因素. 关键词： 氦团簇 团簇融合 分子动力学模拟

Coalescence of helium clusters in titanium crystals: Molecular dynamics simulation

In this paper, the helium behavior in titanium crystals has been simulated by molecular dynamics method. The coalescence of helium clusters has been investigated in great detail in a range from 300 to 800K. It was found that increasing temperature contributes to the coalescence of helium clusters. However, the helium cluster resulting from coalescence assumes its three-dimensional configuration in this temperature range for the time scale of simulation. The simulation results also indicate that, at room temperature, the attractive force between helium clusters plays a key role in helium cluster coalescence.