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Effect of Decomposition of Chemically Precipitated Al(OH)3 on nano Silicon Carbide Experimental and Reaxff Molecular Dynamic Study
Materials Today Communications ( IF 3.7 ) Pub Date : 2020-09-18 , DOI: 10.1016/j.mtcomm.2020.101683
Garip Erdogan

Chemically precipitated Al(OH)3 on SiC particles are effective and economical additives as sintering aids for silicon carbide materials. Nanocomposite SiC powder was produced by chemically precipitated Al(OH)3 via heterogeneous nucleation. Produced powder was calcined under controlled atmosphere at 1350 °C for 1 hour. Effect of calcination of Al(OH)3 on the nano sized SiC particles was investigated experimentally using XRD, Thermogravimetric Analysis and Transmission Electron Microscope. Molecular dynamic study using ReaxFF reactive force field was performed to understand the mechanism of Al2O3 and SiC interaction at elevated temperatures under oxygen free environment. The experimental analyses showed polymorphic transition sequence of alumina was retarded. Molecular dynamic study revealed that silicon site is more prone to oxidation and silicon atoms preferred to react with Al-O species.



中文翻译:

化学沉淀Al(OH)3的分解对纳米碳化硅实验和Reaxff分子动力学研究的影响

在SiC颗粒上化学沉淀的Al(OH)3是有效且经济的添加剂,可作为碳化硅材料的烧结助剂。纳米复合SiC粉末是通过异质形核化学沉淀Al(OH)3制备的。将产生的粉末在受控气氛下在1350℃下煅烧1小时。利用X射线衍射,热重分析和透射电子显微镜实验研究了Al(OH)3煅烧对纳米SiC颗粒的影响。使用ReaxFF反作用力场进行了分子动力学研究,以了解Al 2 O 3的机理在无氧环境下,在高温下与SiC相互作用。实验分析表明,氧化铝的多晶型转变序列受阻。分子动力学研究表明,硅位点更易于氧化,并且硅原子更喜欢与Al-O物种反应。

更新日期:2020-09-20
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