多片式衬底HFCVD系统沉积金刚石颗粒物理场的仿真优化

杨海霞; 伏明将; 罗健; 张韬

doi:10.13394/j.cnki.jgszz.2023.0031

多片式衬底HFCVD系统沉积金刚石颗粒物理场的仿真优化

doi: 10.13394/j.cnki.jgszz.2023.0031

杨海霞^1,,
伏明将²,
罗健³,
张韬^1, ,

1.
无锡职业技术学院, 江苏无锡 214121
2.
江苏科技大学, 江苏镇江 212100
3.
江苏海洋大学, 江苏连云港 222005

基金项目: 国家青年自然科学基金（51605280）；江苏省自然科学基金（BK20201142）。

详细信息

作者简介:
杨海霞，女，1976年生，硕士、副教授。主要研究方向：CVD金刚石的仿真优化。E-mail：906075781@qq.com

通讯作者:
张韬，女，1984年生，博士、副教授。主要研究方向：CVD金刚石的制备及应用。E-mail：zhangt@wxit.edu.cn

中图分类号: TQ164
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出版历程
- 收稿日期: 2023-02-20
- 修回日期: 2023-03-19
- 录用日期: 2023-04-07
- 网络出版日期: 2023-11-06
- 刊出日期: 2023-12-01

Simulation optimization of physical field of diamond particles deposited by multi-piece substrates HFCVD system

1.
Wuxi Institute of Technology, Wuxi 214121, Jiangsu, China
2.
Jiangsu University of Science and Technology, Zhenjiang 212100, Jiangsu, China
3.
Jiangsu Ocean University, Lianyungang 222005, Jiangsu, China

摘要

摘要: 探索热丝化学气相沉积（hot filament chemical vapor deposition, HFCVD）合成高效优质的金刚石已成为研究热点。采用可提高金刚石颗粒单次沉积产量的新型多片式栅状衬底，应用FLUENT流体仿真软件，在原有单个出气口数量及进气总流量保持不变的情况下，优化传统模型，将单个进气口拆分成5个大小相等的进气口，对影响金刚石单晶颗粒均匀性的进气口数量和排布方式工艺参数进行仿真，对比分析HFCVD系统内气体的物理场。结果显示：4组优化模型均提高了衬底温度及流速的均匀性，有利于金刚石单晶颗粒的均匀生长，但对其沉积速率影响不显著；进一步分析优化模型的温度场，发现5个进气口及单个出气口分别位于反应腔体顶部和底部的中间位置时系统的温度差最低，最满足金刚石单晶颗粒在多片式硅衬底上均匀生长的条件。HFCVD金刚石单晶颗粒沉积试验验证了仿真结果的正确性。
- 热丝化学气相沉积法 /
- FLUENT仿真软件 /
- 优化模型 /
- 金刚石颗粒均匀生长
Abstract: Hot filament CVD method, which is used to synthesize high efficiency and high quality superhard abrasives, has become a research hotspot. Based on a new multi-piece grid substrate, which can increase the single deposition yield of micro-powder, and FLUENT, the fluid simulation software, the traditional model is optimized with unchanged number of single outlet and stable total intake flow but the single inlet is split into five equally sized inlet. The number and the arrangement of inlets that affect the process uniformity are simulated. The physical field of gas in the HFCVD system is compared and analyzed. Results show that the four optimized models all perform improved uniformity of substrate temperature and flow rate, which is conducive to the uniform growth of diamond single crystal particles, but the effect of diamond deposition rate is not significant. Further analysis on the temperature field of the optimized model indicates that the temperature difference of the system is the lowest with five inlets located in the middle top and a single outlet in the middle bottom of the reaction chamber, which satisfies the condition of uniform growth of diamond single crystal particles on multi-piece silicon substrate. Finally, CVD single crystal diamond particles are deposited to verify the reliability of the simulation.
- hot filament chemical vapor deposition (HFCVD) /
- FLUENT simulation software /
- optimized model /
- uniform growth of diamond particles

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图 1 简化模型示意图

Figure 1. Schematic diagram of simplified model

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图 2 HFCVD系统中衬底与热丝计算区域的三维网格计算模型

Figure 2. Three-dimensional grid computing model of substrate and hot filament computing regions in HFCVD system

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图 3 传统HFCVD模型物理场的分布云图

Figure 3. Distribution cloud image of physical field in traditional HFCVD model

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图 4 硅片序号图

Figure 4. Wafer serial number diagram

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图 5 HFCVD系统进气口的优化排布方案

Figure 5. Optimal arrangement scheme for inlet of HFCVD system

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图 6 4种优化模型的流速场分布图

Figure 6. Velocity field distribution diagram of four optimization models

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图 7 4种优化模型的密度场分布图

Figure 7. Density field distribution diagram of four optimization models

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图 8 4种优化模型的气体温度场分布图

Figure 8. Gas temperature field distribution diagram of four optimization models

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图 9 优化模型各衬底温度差对比数据图

Figure 9. Comparison data graph of temperature difference between substrates in the optimization model

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图 10 CVD金刚石颗粒的 FESEM形貌图

Figure 10. FESEM morphology of CVD diamond particles

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图 11 CVD金刚石颗粒的 Micro-Raman谱图

Figure 11. Micro-Raman spectra of CVD diamond particles

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表 1 材料属性

Table 1. Material properties

材料	密度 ρ / (kg·m⁻³)	热导率 λ / (W·m⁻¹·K⁻¹)	热容 c / (J·kg⁻¹·K⁻¹)
H₂	不可压缩气体	0.167 2	14 283
Si	2 330	149.000 0	703
Ta（热丝）	15 500	63.000 0	185
Cu （衬底支撑台）	8 978	388.000 0	381

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表 2 进出气口不同分布位置的参数设置

Table 2. Parameter setting of different distribution positions of the inlet and outlet

编号	模型	进气口数量	单个进气口直径 D / mm	单个进气口流速 v /（m·s⁻¹）	进气口的分布位置	出气口的分布位置
0	传统模型	1	10.000	0.169	反应腔体左底部	反应腔体右底部
1	优化模型	5	4.472	0.849	反应腔体左侧壁	反应腔体右底部
2	优化模型	5	4.472	0.849	反应腔体顶端	反应腔体底部中间
3	优化模型	5	4.472	0.849	反应腔体左侧壁	反应腔体左底部
4	优化模型	5	4.472	0.849	反应腔体左侧壁	反应腔体底部中间
注：进出气口的分布位置均在xz平面内进行观测。

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表 3 传统模型—适宜金刚石微粉生长的衬底上的温度极值

Table 3. Traditional model: temperature extremum on the substrate suitable for the growth of diamond powder

硅片序号	最高温度 T_max / K	最低温度 T_min / K	温差 ΔT /K
2	1 191.60	1 127.46	64.14
5	1 201.82	1 129.00	72.82
8	1 198.84	1 129.06	69.78
11	1 200.64	1 128.20	72.44
14	1 186.58	1 123.91	62.67

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表 4 优化模型—适宜金刚石微粉生长的衬底上的温度极值

Table 4. Optimization model: Temperature extremum on the substrate suitable for the growth of diamond powder

硅片序号	优化模型1			优化模型2			优化模型3			优化模型4
硅片序号	最高温度 T_max / K	最低温度 T_min / K	温差 ΔT / K	最高温度 T_max / K	最低温度 T_min / K	温差 △T / K	最高温度 T_max / K	最低温度 T_min / K	温差 ΔT / K	最高温度 T_max / K	最低温度 T_min / K	温差 ΔT / K
2	1 196.46	1 133.1	63.36	1 198.54	1 135.41	63.13	1 199.23	1 135.88	63.35	1 196.57	1 133.15	63.42
5	1 207.41	1 134.92	72.49	1 209.87	1 137.62	72.25	1 210.71	1 137.74	72.97	1 208.00	1 135.08	72.92
8	1 205.04	1 135.35	69.69	1 207.18	1 137.67	69.51	1 208.4	1 138.16	70.24	1 205.49	1 135.54	69.95
11	1 207.78	1 134.9	72.88	1 209.82	1 137.43	72.39	1 210.57	1 137.68	72.89	1 207.88	1 135.07	72.81
14	1 195.83	1 133.02	62.81	1 198.54	1 136.28	62.26	1 198.38	1 135.76	62.62	1 195.63	1 133.11	62.52

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表 5 CVD金刚石单晶颗粒沉积参数

Table 5. CVD single crystal diamond particle deposition parameters

沉积参数	形核参数	生长参数
丙酮与氢气的比例	1.5%	2.0%
硼碳摩尔比率 [B]/[C]_gas / 10⁻⁶	5 000	5 000
压强 p / Pa	3 000	3 000
偏流强度 B /A	4.0	4.0
衬底温度 $ {T}_{\mathrm{c}} $ /℃	700	950
热丝温度 $ {T}_{\mathrm{r}} $ /℃	2 000±200	2 2 200±200
沉积时间 t / min	40	80

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