Temperature-dependent dynamics and dislocation behavior in nanoscale machining of FeCoNiCrAl high-entropy alloys: Molecular dynamics simulation

IF 3.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Vacuum Pub Date : 2024-10-04 DOI:10.1016/j.vacuum.2024.113701

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引用次数: 0

Abstract

This study investigates the impact of machining parameters on forces, thermal dynamics, dislocation behavior, and crystalline structure changes in FeCoNiCrAl high-entropy alloys during nanoscale material removal using molecular dynamics (MD) simulations. Utilizing Embedded Atom Method (EAM) and Tersoff interaction potentials, simulations were performed at cryogenic (73 K) and room (293 K) temperatures. Novel findings reveal that at 73 K, cutting velocities below 200 m/s produced the highest forces along the [001] direction, whereas at 200 m/s, the peak force shifted to [100]. Increasing velocity decreased the force along [001], while [100] exhibited an inverse relationship. At 293 K, the force remained highest along [001] across all velocities. Notably, forces at 73 K were 1.82, 1.79, and 1.58 times higher than at 293 K for velocities of 100, 200, and 300 m/s, respectively. Dislocation density, particularly 1/6<112> (Shockley) dislocations, peaked under all machining conditions, with a slight initial decrease at 293 K before a significant drop with higher cutting speeds. At 293 K and a cutting speed of 100 m/s, dislocation densities for depths of 5, 10, 15, and 20 Å were approximately 1.04, 1.54, 1.17, and 1.14 times greater than those at 73 K, respectively.

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铁钴镍铬铝高熵合金纳米级加工过程中与温度有关的动力学和位错行为：分子动力学模拟

本研究利用分子动力学（MD）模拟研究了加工参数对纳米级材料去除过程中 FeCoNiCrAl 高熵合金中的力、热动力学、位错行为和晶体结构变化的影响。利用嵌入式原子法（EAM）和特尔索夫相互作用势，在低温（73 K）和室温（293 K）下进行了模拟。新发现表明，在 73 K 时，切割速度低于 200 m/s 时，沿 [001] 方向产生的力最大，而在 200 m/s 时，峰值力转移到 [100]。速度越快，沿[001]方向的力越小，而[100]方向则呈现反比关系。在 293 K 时，沿 [001] 方向的力在所有速度下都保持最高。值得注意的是，当速度为 100、200 和 300 m/s 时，73 K 时的力分别是 293 K 时的 1.82、1.79 和 1.58 倍。位错密度，尤其是 1/6<112>（肖克利）位错密度，在所有加工条件下均达到峰值，在 293 K 时最初略有下降，然后随着切削速度的提高而显著下降。在 293 K 和 100 m/s 的切削速度下，深度为 5、10、15 和 20 Å 的位错密度分别是 73 K 时的约 1.04、1.54、1.17 和 1.14 倍。

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来源期刊

Vacuum 工程技术-材料科学：综合

CiteScore

6.80

自引率

17.50%

发文量

审稿时长

34 days

期刊介绍： Vacuum is an international rapid publications journal with a focus on short communication. All papers are peer-reviewed, with the review process for short communication geared towards very fast turnaround times. The journal also published full research papers, thematic issues and selected papers from leading conferences. A report in Vacuum should represent a major advance in an area that involves a controlled environment at pressures of one atmosphere or below. The scope of the journal includes: 1. Vacuum; original developments in vacuum pumping and instrumentation, vacuum measurement, vacuum gas dynamics, gas-surface interactions, surface treatment for UHV applications and low outgassing, vacuum melting, sintering, and vacuum metrology. Technology and solutions for large-scale facilities (e.g., particle accelerators and fusion devices). New instrumentation ( e.g., detectors and electron microscopes). 2. Plasma science; advances in PVD, CVD, plasma-assisted CVD, ion sources, deposition processes and analysis. 3. Surface science; surface engineering, surface chemistry, surface analysis, crystal growth, ion-surface interactions and etching, nanometer-scale processing, surface modification. 4. Materials science; novel functional or structural materials. Metals, ceramics, and polymers. Experiments, simulations, and modelling for understanding structure-property relationships. Thin films and coatings. Nanostructures and ion implantation.