Research on the formation and evolution mechanism of cracks in laser stealth dicing of silicon carbide crystals

IF 2.7 4区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Journal of molecular graphics & modelling Pub Date : 2024-07-18 DOI:10.1016/j.jmgm.2024.108830
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Abstract

In this study, to enhance the cutting efficiency and precision of the chip while minimizing waste from cutting damage, molecular dynamics simulation is used to investigate the formation mechanism of defects and cracks of silicon carbide crystals during the laser stealth dicing. The results showed that the high thermal stress generated by the laser scanning induced the production and expansion of cracks. Thus, the crack propagates in the direction of [100], and subsequently forms branches in the directions of [101] and [101]. It also can be found that the silicon carbide crystals produced dislocation slip, and the dislocation lines moved along the slip surface, which impeded the crack extension in the directions of [101] and [101]. In addition, atomic phase transformation and loss is occurred under the high-temperature environment of the laser heating process. Cubic diamond crystal structure atoms are partially transformed into amorphous structure, while a small portion transformed into hexagonal diamond structure. The crystal structural arranged orderliness temporarily increased and then rapidly decreased due to prefabrication defects, and new unknown crystal structures are produced.

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碳化硅晶体激光隐形切割中裂纹的形成与演化机理研究
为了提高切削效率和切削精度,同时最大限度地减少切削损伤造成的浪费,本研究采用分子动力学模拟研究了激光隐形切割过程中碳化硅晶体缺陷和裂纹的形成机理。结果表明,激光扫描产生的高热应力诱导了裂纹的产生和扩展。因此,裂纹沿[100]方向扩展,随后在[101]和[101‾]方向形成分支。研究还发现,碳化硅晶体产生位错滑移,位错线沿滑移面移动,阻碍了裂纹向[101‾]和[1‾01‾]方向扩展。此外,在激光加热过程的高温环境下,还发生了原子相变和损耗。立方金刚石晶体结构原子部分转化为无定形结构,小部分转化为六方金刚石结构。由于预制缺陷,晶体结构排列的有序性暂时提高,然后迅速降低,并产生了新的未知晶体结构。
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来源期刊
Journal of molecular graphics & modelling
Journal of molecular graphics & modelling 生物-计算机:跨学科应用
CiteScore
5.50
自引率
6.90%
发文量
216
审稿时长
35 days
期刊介绍: The Journal of Molecular Graphics and Modelling is devoted to the publication of papers on the uses of computers in theoretical investigations of molecular structure, function, interaction, and design. The scope of the journal includes all aspects of molecular modeling and computational chemistry, including, for instance, the study of molecular shape and properties, molecular simulations, protein and polymer engineering, drug design, materials design, structure-activity and structure-property relationships, database mining, and compound library design. As a primary research journal, JMGM seeks to bring new knowledge to the attention of our readers. As such, submissions to the journal need to not only report results, but must draw conclusions and explore implications of the work presented. Authors are strongly encouraged to bear this in mind when preparing manuscripts. Routine applications of standard modelling approaches, providing only very limited new scientific insight, will not meet our criteria for publication. Reproducibility of reported calculations is an important issue. Wherever possible, we urge authors to enhance their papers with Supplementary Data, for example, in QSAR studies machine-readable versions of molecular datasets or in the development of new force-field parameters versions of the topology and force field parameter files. Routine applications of existing methods that do not lead to genuinely new insight will not be considered.
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