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Selective laser melting (SLM) has potential to prepare complex shaped amorphous alloy parts , however, the almost inevitable crystallization makes it very difficult to obtain excellent performance parts. Most of studies focus on improving properties by optimizing parameters such as laser power, scanning speed, and scanning strategy . As is well known, the substrate is an important component in SLM devices, which directly supports and contacts the initial powder and melting pool, affecting the absorption and transfer of heat, the formation and cooling of the melting pool, and therefore exerts a significant influence on the quality and microstructure of printed parts. However, there is relatively little research on its influence. It is important and necessary to understand the influence of substrate temperature on crystallization behavior of Fe-based amorphous alloy during SLM process. Molecular dynamics (MD) simulations can provide direct evidence for the evolution of clusters and band pairs, which can help clarify the crystallization mechanism and alleviate the crystallization. In this work, the influence of substrate temperature on the crystallization and evolution of atomic clusters in Fe50Cu25Ni25 amorphous alloy during SLM is investigated on an atomic scale, using MD simulation under different substrate temperatures (300–900 K), laser power values (500–800 eV/ps), and scanning speeds (0.1–1.0 nm/ps). The research results show that when the substrate temperature is lower than 750 K, the content of characteristic bond pair 1421 and the corresponding $ \left\langle{0,{\mathrm{ }}4,{\mathrm{ }}4,{\mathrm{ }}6}\right\rangle $ cluster increase with the substrate temperature rising, thereby increasing face-centered cubic bond pair and cluster and promoting the crystallization. When the substrate temperature rises to a value close to the glass transition temperature, the evolution of bond pairs and clusters becomes complex, which is influenced by the collaborative and competitive effects, such as the ability to form glass, melting and cooling rate. This work reveals the evolution of atomic clusters and band pairs in the SLM process of Fe-based amorphous alloys, and the initiation of crystal phases at different substrate temperatures, providing new ideas for understanding and regulating crystallization.
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Keywords:
- Fe-based amorphous alloy /
- selective laser melting /
- molecular dynamics simulation /
- substrate temperature /
- crystallization
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图 1 Fe50Cu25Ni25的玻璃转变温度(a)和熔点温度(b)
Figure 1. Glass transition temperature (a) and melting point temperature (b) of Fe50Cu25Ni25.
图 2 SLM 模拟体系示意图 (a) 透视图; (b) 正视图
Figure 2. SLM simulation system diagram: (a) Perspective view; (b) front view.
图 3 (a) 1421键对含量和(b)晶体及非晶键对含量随基板温度的变化
Figure 3. Changes of (a) 1421 bond pair content (b) crystal and amorphous bond pairs with substrate temperature.
图 4 不同扫描速率下基板温度对FCC团簇和冷却速率的影响 (a) 0.1 nm/ps; (b) 0.5 nm/ps; (c) 0.8 nm/ps; (d) 1 nm/ps
Figure 4. Effects of substrate temperature on FCC clusters and cooling rate under different scanning speeds: (a) 0.1 nm/ps; (b) 0.5 nm/ps; (c) 0.8 nm/ps; (d) 1 nm/ps.
图 5 熔池温度随基板温度的变化 (a) 300 K; (b) 450 K; (c) 600 K; (d) 750 K; (e) 900 K; (f) 熔体峰值温度、熔体停留时间和冷却速率随基板温度的变化
Figure 5. Variation of the molten pool temperature with substrate temperatures: (a) 300 K; (b) 450 K; (c) 600 K; (d) 750 K; (e) 900 K; (f) the variation of the melt peak temperature, melting duration, and cooling rate.
表 1 基板温度对样品晶体和非晶键对的影响
Table 1. Effects of substrate temperatures on crystal and amorphous bond pairs.
样品 基板
温度
/K扫描
速率
/(nm·ps–1)激光
能量密度/
(J·mm–3)晶体
键对含量
/%非晶
键对含量
/%1 300 0.1 39.2 62.1 16.4 2 0.5 7.8 37.7 31.2 3 0.8 4.9 33.4 31.8 4 1 3.9 27.9 36.5 5 450 0.1 39.2 64.6 12.8 6 0.5 7.8 40.3 27.2 7 0.8 4.9 46.7 21.6 8 1 3.9 34.2 30.4 9 600 0.1 39.2 64.9 18.4 10 0.5 7.8 54.8 17.2 11 0.8 4.9 49.7 18.4 12 1 3.9 46.0 19.6 13 750 0.1 39.2 72.0 5.1 14 0.5 7.8 54.0 16.5 15 0.8 4.9 48.7 20.8 16 1.0 3.9 61.6 13.0 17 900 0.1 39.2 65.7 5.7 18 0.5 7.8 59.3 10.8 19 0.8 4.9 43.5 22.6 20 1 3.9 55.0 13.1 
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