Rational Design of Advanced
Energy Device and System Based on MGE
Xiaokun
Zhang1*, Yong Xiang1,
Xiaoli Peng1, Zongkai Yan1, Lin Zuo1, Jingjing
Li1, Xiaoqiang Zhang2, Jingying Xie3
1 University
of Electronic Science and Technology of China, Chengdu, Sichuan, 611731, China；
2 China Academy of Engineering Physics, Mianyang, Sichuan, 621999, China;
3 Shanghai Institute of Space Power Source, Shanghai, 200245, China.
ABSTRACT: Nowadays, the R&D of energy device
and system depends on the research experience, scientific insight, and a lot of
trial-and-error, which results in the low R&D efficiency and design
reliability. Meanwhile, a new round of technological revolution, which is
characterized by the integration of big data and AI with physics, chemistry,
mechanics, and electronics, is accelerated evolving. Materials genome
engineering (MGE), which can significantly reduce the time and economic cost of
new materials R&D through integrating combinatorial materials experimentation,
high-throughput computation, and big materials data, is a practice of this
technological revolution in the field of materials science. It is potential to
realize rational design of energy device and system (RDEDS) on demand,
utilizing the paradigm of MGE. In order to fulfil the concept of RDEDS, there
are 5 key issues needing to be addressed. First, building the functional model
of controllable design parameters and key performances. Second, exploring data
acquisition approaches covering the total process of R&D, application, and
deployment. Third, developing the special algorithms to solve the function of
design parameters and key performance. Forth, developing the software tool for
Multiphysics simulation and digital design. Fifth, building the ecosystem of
RDEDS, and providing the systematic solution for industrial application. Here,
we propose the workflow and technical architecture of RDEDS, and report the
research progress related to lithium-ion batteries and thermal batteries,
including the advances in developing functional model, algorithms, data
acquisition technologies, and software platform.
Keywords: Material
Genome Engineering; Rational Design; Lithium Batteries; Thermal Batteries;
Modeling
* Corresponding author:
zxk@uestc.edu.cn.
Xiaokun Zhang is an Associate Professor at the School of Materials and Energy, University of Electronic Science and Technology of China. He received his BS in Microelectronics and PhD in Materials Science and Engineering from University of Electronic Science and Technology of China in 2010 & 2018, respectively. His current research is focused on high-throughput materials experimentation, solid-state device for high-density energy storage, and integrated device or system for energy storage and management. He has published more than 40 papers in reputed journals, and filed over 60 patents, 7 of which has been authorized. He won the award of Excellent Young Scientists at International Forum on Advanced Materials in 2019.