Investigation the CMP process of 6 H-SiC in H2O2 solution with ReaxFF molecular dynamics simulation
Abstract To observe the chemical mechanical polishing (CMP) process at the atomic scale, reactive force field molecular dynamics (ReaxFF-MD) was employed to simulate the polishing of 6 H-SiC under three conditions: dry, pure water, and H2O2 solution. This study examined the reactants on the surface...
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Nature Portfolio
2025-01-01
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| Online Access: | https://doi.org/10.1038/s41598-025-85536-8 |
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| author | Yanzhang Gu Kaiping Feng Lanxing Xu Liang Zhao Tianchen Zhao Binghai Lyu |
| author_facet | Yanzhang Gu Kaiping Feng Lanxing Xu Liang Zhao Tianchen Zhao Binghai Lyu |
| author_sort | Yanzhang Gu |
| collection | DOAJ |
| description | Abstract To observe the chemical mechanical polishing (CMP) process at the atomic scale, reactive force field molecular dynamics (ReaxFF-MD) was employed to simulate the polishing of 6 H-SiC under three conditions: dry, pure water, and H2O2 solution. This study examined the reactants on the surface of 6 H-SiC during the reaction in the H2O2 solution, along with the dissociation and adsorption processes of H2O2 and water molecules. The mechanisms for atom removal during the CMP process were elucidated. Variations in the number of different bonds over time and changes in the number of amorphous SiC atoms across various environments were analyzed. A comparison was made regarding the surface morphology of SiC after polishing with diamond abrasives in the three distinct environments.The results indicate that H2O2 and water molecules can dissociate into -OH, -H, and -O-. Si atoms form Si-C bonds with carbon atoms in the abrasive or connect with carbon atoms via -O- bridges to form Si-O-C for removal. C atoms are primarily removed in the form of carbon chains. Abrasive grinding can promote the dissociation of -H2O and -OH. Both water and H2O2 solutions can mitigate surface structural damage during the polishing process, with the H2O2 solution showing superior effectiveness. |
| format | Article |
| id | doaj-art-4ae7bbd6377742a0a87fc87eeb0a05cf |
| institution | Kabale University |
| issn | 2045-2322 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Nature Portfolio |
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| series | Scientific Reports |
| spelling | doaj-art-4ae7bbd6377742a0a87fc87eeb0a05cf2025-01-05T12:21:53ZengNature PortfolioScientific Reports2045-23222025-01-0115111210.1038/s41598-025-85536-8Investigation the CMP process of 6 H-SiC in H2O2 solution with ReaxFF molecular dynamics simulationYanzhang Gu0Kaiping Feng1Lanxing Xu2Liang Zhao3Tianchen Zhao4Binghai Lyu5College of Mechanical Engineering, Quzhou UniversityCollege of Mechanical Engineering, Quzhou UniversityCollege of Mechanical Engineering, Quzhou UniversityCollege of Mechanical Engineering, Quzhou UniversityCollege of Mechanical Engineering, Quzhou UniversityCollege of Mechanical Engineering, Zhejiang University of TechnologyAbstract To observe the chemical mechanical polishing (CMP) process at the atomic scale, reactive force field molecular dynamics (ReaxFF-MD) was employed to simulate the polishing of 6 H-SiC under three conditions: dry, pure water, and H2O2 solution. This study examined the reactants on the surface of 6 H-SiC during the reaction in the H2O2 solution, along with the dissociation and adsorption processes of H2O2 and water molecules. The mechanisms for atom removal during the CMP process were elucidated. Variations in the number of different bonds over time and changes in the number of amorphous SiC atoms across various environments were analyzed. A comparison was made regarding the surface morphology of SiC after polishing with diamond abrasives in the three distinct environments.The results indicate that H2O2 and water molecules can dissociate into -OH, -H, and -O-. Si atoms form Si-C bonds with carbon atoms in the abrasive or connect with carbon atoms via -O- bridges to form Si-O-C for removal. C atoms are primarily removed in the form of carbon chains. Abrasive grinding can promote the dissociation of -H2O and -OH. Both water and H2O2 solutions can mitigate surface structural damage during the polishing process, with the H2O2 solution showing superior effectiveness.https://doi.org/10.1038/s41598-025-85536-86H-SiC waferMolecular dynamicsChemical-mechanical polishingMaterial removal |
| spellingShingle | Yanzhang Gu Kaiping Feng Lanxing Xu Liang Zhao Tianchen Zhao Binghai Lyu Investigation the CMP process of 6 H-SiC in H2O2 solution with ReaxFF molecular dynamics simulation Scientific Reports 6H-SiC wafer Molecular dynamics Chemical-mechanical polishing Material removal |
| title | Investigation the CMP process of 6 H-SiC in H2O2 solution with ReaxFF molecular dynamics simulation |
| title_full | Investigation the CMP process of 6 H-SiC in H2O2 solution with ReaxFF molecular dynamics simulation |
| title_fullStr | Investigation the CMP process of 6 H-SiC in H2O2 solution with ReaxFF molecular dynamics simulation |
| title_full_unstemmed | Investigation the CMP process of 6 H-SiC in H2O2 solution with ReaxFF molecular dynamics simulation |
| title_short | Investigation the CMP process of 6 H-SiC in H2O2 solution with ReaxFF molecular dynamics simulation |
| title_sort | investigation the cmp process of 6 h sic in h2o2 solution with reaxff molecular dynamics simulation |
| topic | 6H-SiC wafer Molecular dynamics Chemical-mechanical polishing Material removal |
| url | https://doi.org/10.1038/s41598-025-85536-8 |
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