第一原理计算和对WC-Co-Y水泥碳化的界面稳定性,电子特性和机械性能的实验研究
Zewen Li1,2, Hao Chen1,3, Liyong Chen1,3,4
1School of Materials Science and Engineering, Jiangxi University of Science and Technology, Ganzhou 341000, China.
Materials (Basel, Switzerland)
|January 28, 2026
概括
兴奋剂优化了 (Y) 硬化碳化物,通过增强接口粘合,从而获得优越的硬度,性和耐磨性. 这项研究阐明了提高材料性能的机制.
科学领域:
- 材料科学 材料科学 材料科学
- 金工业是金工业的一个方面.
- 纳米技术 纳米技术
背景情况:
- 碳化物 (WC) / (Co) 凝固碳化物是重要的工程材料.
- 优化接口粘合是提高硬度和性等机械性能的关键.
- (Y) 兴奋剂为界面调节提供了一个潜在的策略.
研究的目的:
- 为了阐明 (Y) 兴奋剂优化WC/Co水泥化碳化物界面结合的机制.
- 为了获得具有高硬度,高性和优异耐磨性组合的材料.
- 研究Y加法对界面能量,结合和宏观性质的影响.
主要方法:
- 第一个原则计算来研究界面能量,状态密度和电荷密度.
- 对WC-10Co,WC-10Co-0.5Y和WC-10Co-1Y合金进行实验准备.
- 微观结构的表征,机械测试 (维克尔硬度,断裂性) 和部落学实验.
主要成果:
- Y兴奋剂减少了界面能量,并增强了界面粘合,增加了性.
- 原子尺度分析显示,Y-W轨道杂交促进了界面上的强有力的共价键.
- 实验性合金在添加Y时显示出显著的性能改善.
- WC-10Co-0.5Y合金表现出最佳性能:1454 ± 1.3 HV硬度,9.84 ± 0.15 MPa·m1/2破裂性,以及0.794 × 10-5 mm3·N-1·m-1磨损率.
结论:
- 兴奋剂有效地增强了WC/Co水泥化碳化物中的接口粘合.
- 通过Y-W共价键驱动的增强的界面粘合,显著提高了硬度,性和耐磨性.
- 优质材料性能的最佳Y含量被确定为0.5%的重量.
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