高电场下Cu纳米尖端稳定性的电动力学-分子动力学模拟
Electrodynamics - molecular dynamics simulations of the stability of Cu nanotips under high electric field
摘要：
Cu纳米线的形状记忆效应和伪弹性是阻止高纵横比纳米尺寸场致电子发射体在室温下稳定并允许其在高电场下生长的一对可能的机制。通过利用混合电动力学分子动力学模拟，我们表明，全球电场的1 GV/m或更大的显着增加的稳定性和自发重取向的纳米尺寸的<100>铜场致发射体的临界温度。我们还表明，在所研究的提示的外部施加的电场的稳定效果是一个数量级大于由场发射电流引起的不稳定。我们使用能观察晶体结构变化的工具来检测自发重取向的临界温度。该方法与考虑势能变化的技术兼容，具有更广泛的适用性，并允许精确定位重定向过程中的不同阶段。
英文摘要：
The shape memory effect and pseudoelasticity in Cu nanowires is one possible pair of mechanisms that prevents high aspect ratio nanosized field electron emitters to be stable at room temperature and permits their growth under high electric field. By utilizing hybrid electrodynamics molecular dynamics simulations we show that a global electric field of 1 GV/m or more significantly increases the stability and critical temperature of spontaneous reorientation of nanosized <100> Cu field emitters. We also show that in the studied tips the stabilizing effect of an external applied electric field is an order of magnitude greater than the destabilization caused by the field emission current. We detect the critical temperature of spontaneous reorientation using the tool that spots the changes in crystal structure. The method is compatible with techniques that consider the change in potential energy, has a wider range of applicability and allows pinpointing different stages in the reorientation processes.
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