人工智能与计算化学:电子电镀表界面研究的新视角

Artificial intelligence and computational chemistry:a new perspective for electroplating-surface-interface research

电子电镀是以芯片为代表的高端电子制造业核心技术之一,其过程耦合了宏观多场作用下的物质传输与微观界面电化学过程,且受动力学影响.如何利用计算化学的方法来研究其中的电沉积是一个挑战.电极与电镀液构成的界面是电镀过程重要的反应场所,明确电子电镀表界面的双电层结构以及电沉积作用机理能够加快镀液配方的研发效率.本文重点介绍适用于电子电镀表界面机理研究的各类计算方法,包括分子动力学模拟、数值仿真和数据驱动方法,以启发读者充分利用人工智能的技术优势,将适用于各种研究尺度的计算化学方法积极应用到电子电镀表界面基础研究中.

Electronic plating is one of the core technologies of high-end electronics manufacturing represented by chips.Its process is coupled with material transport under the action of macroscopic multi-fields and microscopic interface electrochemistry and is affected by kinetic processes.How to use computational chemistry to study the electrodeposition process is a challenge.The interface formed by the electrode and the electroplating solution is the reaction site in the electroplating process.Clarifying the electric double-layer structure of the surface interface of electronic plating and the mechanism of the electrodeposition process can speed up the development of the plating solution formula and improve efficiency.This article focuses on various computational methods applicable to the study of the surface-interface mechanism of electronic electroplating,including molecular dynamics simulation,numerical simulation and data-driven methods,in order to inspire readers to make full use of the technical advantages of artificial intelligence,and actively apply computational chemistry methods to fundamental research on the electroplating surface.