论文标题
通过可逆的电化学兴奋剂对加工的非侵入性改进：计算建模的原理证明
Non-invasive improvement of machining by reversible electrochemical doping: a proof of principle with computational modeling
论文作者
论文摘要
我们建议通过可逆的电化学掺杂可以提高硬陶瓷的可加工性。在TIO2的示例中，我们在合并密度的功能理论 - 分子动力学计算研究中表明，少量的插锂锂保存宿主结构并可以可逆地引入，从而降低了工作材料的强度和切割力。尽管事实是，在室温下没有对弹性常数进行显着修改，即效果主要是对塑料特性的。预计这种方法适用于一类陶瓷，这些陶瓷表现出相似的宿主伴侣相互作用的机制，并提出了一种可逆且无损的修改机械性能的方式。
We propose that the machinability of hard ceramics can be improved by reversible electrochemical doping. On the example of TiO2, we show in a combined density functional theory-molecular dynamics computational study that a small amount of intercalated lithium, which preserves the host structure and can be introduced reversibly, leads to a lowering of the strength of work materials and the cutting force. This is in spite of the fact that there are no significant modifications of the elastic constants at room temperature, i.e. the effect is mostly on plastic properties. This approach is expected to be applicable to a class of ceramics exhibiting similar mechanisms of host-dopant interactions and presents a reversible and non-destructive way of modifying mechanical properties.
