• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >First-Principles Molecular Dynamics Study of Silicon-Based Ceramics: Different Tribochemical Reaction Mechanisms during the Running-in Period of Silicon Nitride and Silicon Carbide
【24h】

First-Principles Molecular Dynamics Study of Silicon-Based Ceramics: Different Tribochemical Reaction Mechanisms during the Running-in Period of Silicon Nitride and Silicon Carbide

机译：硅基陶瓷的第一原理分子动力学研究：氮化硅和碳化硅连续时期不同的杂物化学反应机制

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Because silicon-based ceramics show superlow friction in aqueous environments, these materials have attracted much attention for the development of water lubrication systems. The superlow friction is thought to be derived from a tribolayer that is formed through complicated tribochemical reactions during the running-in period. Atomic-scale insights into the tribochemical reactions during the running-in period are crucial to the development of sliding materials with superlow friction and high wear resistance. This study was focused on the running-in period of two silicon-based ceramics, Si3N4 and SiC. Understanding of the differences and similarities of Si3N4 and SiC during the running-in period is expected to identify principles for the design of water lubrication systems with superlow friction and high wear resistance. We performed self-mated sliding simulations of Si3N4 and SiC using first-principles molecular dynamics. We discovered that a lower tribochemical reaction energy barrier and stable highly coordinated Si-atom intermediates favored the tribochemical reactions of Si3N4 versus SiC. This proposed nanoscale mechanism is in good agreement with previously reported experimental results in which the running-in period has been shorter for Si3N4 than for SiC. Finally, we concluded that this novel understanding of the differences and similarities of the tribochemical reaction mechanisms of Si3N4 and SiC is likely to contribute to the design of sliding materials with high performance and high wear resistance.
机译：由于基于硅的陶瓷在水环境中显示出超级摩擦，因此这些材料引起了水润滑系统的发展的巨大关注。认为超流体摩擦源自在运行期间通过复杂的培养学反应形成的二级摩擦。在运行期间，在运行期间对摩擦反应的原子规模见解对于具有超级摩擦和高耐磨性的滑动材料的开发至关重要。本研究专注于两种硅基陶瓷，Si3N4和SiC的运行期。期望了解Si3N4和SiC在运行期间的差异和相似性，以识别具有超流摩擦和高耐磨性的水润滑系统设计的原理。我们使用一原子分子动力学进行了SI3N4和SIC的自交配滑动模拟。我们发现，培养基反应能量屏障和稳定的高度协调的Si-Atom中间体赞成Si3N4与SiC的致性化学反应。该提出的纳米级机制与先前报道的实验结果吻合良好，其中Si3N4的运行期比SiC更短。最后，我们得出结论，这种新颖的对Si3N4和SiC的杂志反应机制的差异和相似性可能有助于设计具有高性能和高耐磨性的滑动材料。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号