基板温度对激光选区熔化制备铁基非晶合金晶化的影响

姜晓月; 黄志敏; 王璇; 张响; 杨卫明; 刘海顺

doi:10.7498/aps.74.20240662

摘要

激光选区熔化技术有望实现复杂形状非晶合金部件的制造, 但晶化现象难以避免. 基板是激光选区熔化装置的重要部件, 对打印件质量及微观结构有不容忽视的影响, 但关于其对打印样品影响的研究还不多见. 本文利用分子动力学模拟, 在原子尺度探究了Fe₅₀Cu₂₅Ni₂₅非晶合金激光选区熔化过程中基板温度对晶化及原子团簇的影响. 研究发现, 基板温度低于750 K时, 面心立方(FCC)晶相结构的特征键对1421含量及相应的$ \left\langle{0, {\mathrm{ }}4, {\mathrm{ }}4, {\mathrm{ }}6}\right\rangle $面心立方团簇含量随基板温度升高而明显增加; 基板温度接近玻璃转变温度时, 键对和团簇的演变同时受玻璃形成能力、熔体和冷却速率等的共同影响. 本研究揭示了铁基非晶合金激光选区熔化过程中原子团簇随基板温度的演变及其原子尺度的晶化, 为理解与调控非晶晶化提供了新的思路.

关键词:

Abstract

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 previous 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.

Keywords:

作者及机构信息

1.
中国矿业大学材料与物理学院, 徐州　221116

2.
中国矿业大学力学与土木工程学院, 徐州　221116

通信作者: 刘海顺, liuhaishun@cumt.edu.cn

基金项目: 国家重点研发计划 (批准号: 2021YFF0600500)和国家自然科学基金(批准号: 52371167)资助的课题.

Authors and contacts

1.
School of Materials and Physics, China University of Mining and Technology, Xuzhou 221116, China

2.
School of Mechanics and Civil Engineering, China University of Mining and Technology, Xuzhou 221116, China

Corresponding author: LIU Haishun, liuhaishun@cumt.edu.cn

Funds: Project supported by the National Key Research & Development Program of China (Grant No. 2021YFF0600500) and the National Natural Science Foundation of China (Grant No. 52371167).

文章全文 : translate this paragraph

参考文献

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施引文献

图 1 Fe₅₀Cu₂₅Ni₂₅的玻璃转变温度(a)和熔点温度(b)

Fig. 1. Glass transition temperature (a) and melting point temperature (b) of Fe₅₀Cu₂₅Ni₂₅.

下载: 全尺寸图片幻灯片

图 2 SLM 模拟体系示意图　(a) 透视图; (b) 正视图

Fig. 2. SLM simulation system diagram: (a) Perspective view; (b) front view.

下载: 全尺寸图片幻灯片

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

Fig. 3. Changes of (a) 1421 bond pair content (b) crystal and amorphous bond pairs with substrate temperature.

下载: 全尺寸图片幻灯片

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) 1.0 nm/ps

Fig. 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) 1.0 nm/ps.

下载: 全尺寸图片幻灯片

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

Fig. 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) Variation of the melt peak temperature, melting duration, and cooling rate.

下载: 全尺寸图片幻灯片

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		1.0	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		1.0	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		1.0	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		1.0	3.9	55.0	13.1

下载: 导出CSV

[1]	张建强, 秦彦军, 方铮, 范晓珍, 杨慧雅, 邝富丽, 翟耀, 苗艳龙, 赵梓翔, 何佳俊, 叶慧群, 方允樟 2022 物理学报 71 247501 Google Scholar Zhang J Q, Qin Y J, Fang Z, Fan X Z, Yang H Y, Kuang F L, Zhai Y, Miao Y L, Zhao Z X, He J J, Ye H Q, Fang Y Z 2022 Acta Phys. Sin. 71 247501 Google Scholar
[2]	Zou Y M, Qiu Z G, Zheng Z G, Wang G, Yan X C, Yin S, Liu M, Zeng D C 2021 Tribol. Int. 162 107112 Google Scholar
[3]	Suryanarayana C, Inoue A 2013 Int. Mater. Rev. 58 131 Google Scholar
[4]	余秀冬, 刘海顺, 薛琳, 张响, 杨卫明 2024 物理学报 73 098801 Google Scholar Yu X D, Liu H S, Xue L, Zhang X, Yang W M 2024 Acta Phys. Sin. 73 098801 Google Scholar
[5]	Inoue A, Takeuchi A 2004 Mater. Sci. Eng. A 375 16 Google Scholar
[6]	Li H S, Jiang Y Y, Yang D F, Jiang Q, Yang W M 2023 J. Mater. Res. Technol. 26 3070 Google Scholar
[7]	Liu H S, Jiang Q, Huo J T, Zhang Y, Yang W M, Li X P 2020 Addit. Manuf. 36 101568 Google Scholar
[8]	Li X P, Roberts M P, O’Keeffe S, Sercombe T B 2016 Mater. Des. 112 217 Google Scholar
[9]	Li X P, Kang C W, Huang H, Sercombe T B 2014 Mater. Des. 63 407 Google Scholar
[10]	Pauly S, Löber L, Petters R, Stoica M, Scudino S, Kühn U, Eckert J 2013 Mater. Today 16 37 Google Scholar
[11]	Mahbooba Z, Thorsson L, Unosson M, Skoglund P, West H, Horn T, Rock C, Vogli E, Harrysson O 2018 Appl. Mater. Today 11 264 Google Scholar
[12]	Nong X D, Zhou X L, Ren Y X 2019 Opt. Laser Technol. 109 20 Google Scholar
[13]	Żrodowski Ł, Wysocki B, Wróblewski R, Krawczyńska A, Adamczyk-Cieślak B, Zdunek J, Błyskun P, Ferenc J, Leonowicz M, Święszkowski W 2019 J. Alloys Compd. 771 769 Google Scholar
[14]	Luo N, Scheitler C, Ciftci N, Galgon F, Fu Z, Uhlenwinkel V, Schmidt M, Körner C 2020 Mater. Charact. 162 110206 Google Scholar
[15]	Jung H Y, Choi S J, Prashanth K G, Stoica M, Scudino S, Yi S, Kühn U, Kim D H, Kim K B, Eckert J 2015 Mater. Des. 86 703 Google Scholar
[16]	Li N, Zhang J, Xing W, Ouyang D, Liu L 2018 Mater. Des. 143 285 Google Scholar
[17]	糜晓磊, 胡亮, 武博文, 龙强, 魏炳波 2024 物理学报 73 097102 Google Scholar Mi X L, Hu L, Wu B W, Long Q, Wei B B 2024 Acta Phys. Sin. 73 097102 Google Scholar
[18]	Kempen K, Vrancken B, Buls S, Thijs L, Van Humbeeck J, Kruth J P 2014 J. Manuf. Sci. Eng. 136 061026 Google Scholar
[19]	Malý M, Koutný D, Pantělejev L, Pambaguian L, Paloušek D 2022 J. Manuf. Processes 73 924 Google Scholar
[20]	Mertens R, Dadbakhsh S, Humbeeck J V, Kruth J P 2018 Procedia CIRP 74 5 Google Scholar
[21]	Wang W H, Lin W H, Yang R, Wu Y N, Li J P, Zhang Z B, Zhai Z R 2022 Mater. Des. 213 110355 Google Scholar
[22]	Xing W, Ouyang D, Li N, Liu L 2018 Materials 11 1480 Google Scholar
[23]	Li X P, Roberts M, Liu Y J, Kang C W, Huang H, Sercombe T B 2015 Mater. Des. 65 1 Google Scholar
[24]	Wang M Z, Lu S L, Wu S S, Chen X H, Guo W 2022 J. Mater. Res. Technol. 20 3355 Google Scholar
[25]	Dong B S, Zhou S X, Pan S P, Wang Y G, Qin J Y, Xing Y X 2024 J. Alloys Compd. 626 122770 Google Scholar
[26]	Zhang Y, Liu H S, Mo J Y, Wang M Z, Chen Z, He Y Z, Yang W M, Tang C G 2018 Comput. Mater. Sci. 150 62 Google Scholar
[27]	Jiang Q, Liu H S, Li J Y, Yang D F, Zhang Y, Yang W M 2020 Addit. Manuf. 34 101369 Google Scholar
[28]	Bonny G, Pasianot R C, Castin N, Malerba L 2009 Philos. Mag. 89 3531 Google Scholar
[29]	Stukowski A 2010 Modell. Simul. Mater. Sci. Eng. 18 015012 Google Scholar
[30]	Honeycutt J D, Andersen H C 1987 J. Phys. Chem. 91 4950 Google Scholar
[31]	Faken D, Jónsson H 1994 Comput. Mater. Sci. 2 279 Google Scholar
[32]	Sheng H W, Cheng Y Q, Lee P L, Shastri S D, Ma E 2008 Acta Mater. 56 6264 Google Scholar
[33]	Yang D F, Liu H S, Jiang Q, Jiang Y Y, Wang X, Yang W M 2022 J. Non-Cryst. Solids 582 121435 Google Scholar
[34]	Wang H Z, Cheng Y H, Yang J Y, Liang X B 2023 J. Non-Cryst. Solids 602 122081 Google Scholar
[35]	Wu W H, Ye S X, Wang R D, Zhang C, Zhang Y W, Lu X G 2023 J. Mater. Res. Technol. 23 1609 Google Scholar
[36]	汪卫华 2023 非晶物质(上卷) (北京: 科学出版社) 第408页 Wang W H 2023 Amphorous Matter (Vol. 1) (Beijing: Science Press) p408
[37]	Na M Y, Kim W C, Hong S H, Park S H, Kim K C, Kim W T, Kim D H 2019 J. Alloys Compd. 788 5 Google Scholar
[38]	Cui X, Zhang Q D, Li X Y, Zu F Q 2016 J. Non-Cryst. Solids 452 15 Google Scholar
[39]	Li W, Liu J, Zhou Y, Wen S, Wei Q, Yan C, Shi Y 2016 Scr. Mater. 118 13 Google Scholar
[40]	Xu J J, Lin X, Guo P F, Hua Y L, Wen X L, Xue L, Liu J R, Huang W D 2017 Mater. Sci. Eng. , A 691 71 Google Scholar

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