分子动力学模拟用于冷喷雾中撞击时Ti颗粒的沉积和结合机制
Xinyue Dai1, Hongxia Zhou1, Xinying Wei1
1School of Mechanical Engineering, Qinghai University, Xining, Qinghai 810016, China.
分子动力学模拟显示,在冷喷雾中 (Ti) 颗粒沉积涉及原子混合和脱位核化. 高的正常应力驱动界面无形化,对于粘合至关重要,与铜 (Cu) 系统不同.
科学领域:
- 材料科学 材料科学 材料科学
- 计算物理 计算物理
背景情况:
- 分子动力学 (MD) 模拟对于了解原子层面的冷喷雾沉积至关重要.
- 以前的研究集中在铜 (Cu),但 (Ti) 呈现出不同的沉积行为.
研究的目的:
- 通过使用MD模拟,研究在冷喷过程中 (Ti) 的沉积行为.
- 将Ti/Ti沉积机制与Cu/Cu系统中观察到的机制进行比较.
主要方法:
- 利用分子动力学 (MD) 模拟来建模Ti/Ti冷喷沉积.
- 分析了原子混合,脱位核化,应力分布和接口微观结构.
主要成果:
- 在Ti/Ti接口观察到的原子混合,甚至低于临界速度,局部在中心和环状区域.
- 粒子反弹减少了中心混合,削弱了结合; 位移核化和传播.
- 与Cu/Cu相比,Ti/Ti系统的正常和剪切应力差异较高,正常应力主要影响Ti的变形和结合.
- 由高正常应力驱动的界面无形化,对Ti粒子结合有显著的贡献.
结论:
- MD模拟提供了对冷喷雾中Ti沉积和粘合机制的见解.
- 正常应力和界面无形化是冷喷射过程中Ti粒子结合的关键因素.
- 这些发现有助于进一步了解Ti冷喷雾沉积,尽管模拟规模的局限性.
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