A combined transport-defect evolution model of microstructure damage in silicon carbide induced by precise irradiation of focused helium ion beams

IF 3.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Vacuum Pub Date : 2024-09-17 DOI:10.1016/j.vacuum.2024.113656

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Abstract

In this paper, a combined transport-defect evolution multiscale model describing the generation and the evolution of microstructure damage in silicon carbide (SiC) induced by focused helium ion beams is developed. In the proposed model, the transport of helium ions and displaced atoms in the SiC substrate and the generation of point defects are described by the Boltzmann transport equations, while the subsequent defect evolution is characterized by a set of rate equations with the contributions of the modeling of the bubble coalescence as well as the substrate swelling. The validity and superiority of the transport equations are verified by comparing the simulation results with the data from experimental measurements and available simulation methods. The subsurface amorphous profile, onsurface swelling profile, and the spatial and size distribution of helium bubbles in a SiC substrate irradiated by focused helium ion beams are simulated using the proposed multiscale model. The damage morphology simulated by the proposed model is in good agreement with the transmission electron microscopy images at different beam energies and doses. This work provides an effective tool for full-stage modeling of complex evolutionary mechanisms of microstructure damage induced by precise and high-throughput helium irradiation.

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聚焦氦离子束精确辐照诱导碳化硅微结构损伤的输运-缺陷演化组合模型

本文建立了一个传输-缺陷演化多尺度组合模型，用于描述聚焦氦离子束诱导碳化硅（SiC）微结构损伤的产生和演化。在所提出的模型中，氦离子和位移原子在碳化硅衬底中的输运以及点缺陷的产生由波尔兹曼输运方程描述，而随后的缺陷演化则由一组速率方程表征，其中包括气泡凝聚和衬底膨胀建模的贡献。通过将模拟结果与实验测量数据和现有模拟方法进行比较，验证了传输方程的有效性和优越性。利用所提出的多尺度模型模拟了聚焦氦离子束辐照下的碳化硅基底中的次表层非晶态轮廓、表层膨胀轮廓以及氦气泡的空间和尺寸分布。模型模拟的损伤形态与不同束流能量和剂量下的透射电子显微镜图像十分吻合。这项工作为精确和高通量氦辐照诱导微结构损伤的复杂演化机制的全阶段建模提供了有效工具。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Vacuum 工程技术-材料科学：综合

CiteScore

6.80

自引率

17.50%

发文量

审稿时长

34 days

期刊介绍： Vacuum is an international rapid publications journal with a focus on short communication. All papers are peer-reviewed, with the review process for short communication geared towards very fast turnaround times. The journal also published full research papers, thematic issues and selected papers from leading conferences. A report in Vacuum should represent a major advance in an area that involves a controlled environment at pressures of one atmosphere or below. The scope of the journal includes: 1. Vacuum; original developments in vacuum pumping and instrumentation, vacuum measurement, vacuum gas dynamics, gas-surface interactions, surface treatment for UHV applications and low outgassing, vacuum melting, sintering, and vacuum metrology. Technology and solutions for large-scale facilities (e.g., particle accelerators and fusion devices). New instrumentation ( e.g., detectors and electron microscopes). 2. Plasma science; advances in PVD, CVD, plasma-assisted CVD, ion sources, deposition processes and analysis. 3. Surface science; surface engineering, surface chemistry, surface analysis, crystal growth, ion-surface interactions and etching, nanometer-scale processing, surface modification. 4. Materials science; novel functional or structural materials. Metals, ceramics, and polymers. Experiments, simulations, and modelling for understanding structure-property relationships. Thin films and coatings. Nanostructures and ion implantation.