arXiv 2102.103102021-02-20physics.app-phcond-mat.mtrl-scics.CEnlin.PS

金属导体和锂离子电池中扩散驱动过程的相场模拟

Phase-field modeling on the diffusion-driven processes in metallic conductors and lithium-ion batteries

Jay Santoki

DOI：: 10.5445/IR/1000128098

摘要：

扩散驱动过程是材料科学中能量转换和传输领域的重要现象。在从化学能到电能的转换期间，物质扩散通常与交换速率相关，并且因此与转换装置的性能相关。或者，当电场通过任何介质时，电场的传输使物质扩散。这种效应的结果可以被调节以调谐表面纳米图案。否则，不受控制的形态可能导致金属导体的永久退化。因此，在存在扩散物质的驱动力的情况下，对材料行为的理解具有科学意义。本论文提出了在每种情况下，在能量转换和传输的物种扩散的一个例子进行调查。具体而言，该研究的目的是探索锂离子电池的阴极电极中的锂插入和夹杂物的形态演变，同时在金属导体中的电迁移下传播。本论文表明，相场方法是能够优雅地捕捉基本的物理扩散驱动的现象上面讨论。

英文摘要：

Diffusion-driven processes are important phenomena of materials science in the field of energy conversion and transmission. During the conversion from chemical energy to electrical energy, the species diffusion is generally linked to the rate of exchange, and hence to the performance of the conversion device. Alternatively, the transmission of the electric field diffuses the species when it passes through any medium. The consequences of this effect can be regulated to attune surface nano-patterns. Otherwise, uncontrolled morphologies may lead to permanent degradation of the metallic conductors. Therefore, the understanding of the material behavior, in the presence of the driving forces of the diffusional species, is of scientific interest. The presented dissertation proposes to investigate one example of species diffusion in each case, during energy conversion and transmission. Specifically, the objective of the study is to explore the lithium insertion into the cathode electrode of lithium-ion batteries and the morphological evolution of inclusions, while propagating under the electromigration in the metallic conductors. The presented dissertation demonstrates that the phase-field methods are able to elegantly capture the essential physics of the diffusion-driven phenomena discussed above.

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