Understanding Mechanical Characteristics of FeNiCrCoCu HEA in Nanoscale Laser Powder Bed Fusion via Molecular Dynamics

TL;DR

This study uses molecular dynamics simulations to explore how laser process parameters during powder bed fusion affect the mechanical properties of FeNiCrCoCu high entropy alloys, revealing optimal conditions for enhanced strength.

Contribution

It systematically investigates the impact of laser scan speed, passes, and power on HEA mechanical characteristics, providing insights for optimizing additive manufacturing processes.

Findings

Reducing laser scan speed to 0.2 Å/ps improves strength.

Annealing with multiple laser passes enhances ultimate tensile strength.

Higher laser power increases material density and UTS.

Abstract

The concept of alloying multiple principal elements at high concentrations has led to the development of High Entropy Alloys (HEAs) with exceptional mechanical properties, making them the focus of major recent scientific endeavors. Geometrically complex HEAs with tailored microstructural characteristics can be produced using additive manufacturing technologies such as powder bed fusion (PBF). However, an in-depth study on the effect of process thermal conditions during PBF is required to effectively fabricate HEAs with desirable mechanical characteristics. Thus, in our present molecular dynamic (MD) study we have explored the implication of PBF process thermal conditions on the mechanical characteristics of FeNiCrCoCu HEA by systematically varying laser scan speed from 0.4 {\AA}/ps to 0.1 {\AA}/ps, unidirectional and reversing laser passes from 1 to 4, and laser power from 100 microwatts to 220 microwatts. Our investigation suggests that reducing the laser scanning speed up to a critical velocity of 0.2 {\AA}/ps considerably improves mechanical strengths, with further reduction creating severe surface defects. Decreased ultimate tensile strength (UTS) is associated with the annihilation of the bulk sessile dislocations during tensile straining marking an early yield failure. Alternately, the material's strength could be improved by annealing with several unidirectional laser passes over the same target region, resulting in enhanced UTS due to subtler yield points. Increasing laser power aids in ameliorating material density ultimately leading to higher UTS even in non-dislocation-free structures. These findings will assist researchers to understand the underlying effects and optimize process thermal parameters to fabricate superior HEAs utilizing additive manufacturing.