界面反应产物对B<sub>4</sub>C/Al复合材料颗粒润湿性及界面强度的影响机制

郭文波; 胡启耀; 肖鹏

doi:10.13801/j.cnki.fhclxb.20210707.005

界面反应产物对B₄C/Al复合材料颗粒润湿性及界面强度的影响机制

doi: 10.13801/j.cnki.fhclxb.20210707.005

南昌航空大学　航空制造工程学院，南昌 330063

基金项目: 江西省自然科学基金面上项目(20192BAB206003)；博士科研启动基金项目(EA201803210)

详细信息

通讯作者:
胡启耀，博士，讲师，硕士生导师，研究方向为金属新材料的制备及其数值模拟　E-mail：huqiyao2008@163.com

中图分类号: TB333
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出版历程
- 收稿日期: 2021-05-31
- 修回日期: 2021-06-25
- 录用日期: 2021-06-30
- 网络出版日期: 2021-07-08
- 刊出日期: 2022-06-01

Effect of interfacial reaction products on the wettability and interfacial strength of B₄C/Al composites

School of Aeronautical Manufacturing Engineering, Nanchang Hangkong University, Nanchang 330063, China

摘要

摘要: 采用搅拌铸造法制备了B₄C/Al复合材料，利用实验分析结合第一性原理计算的方法，探讨了界面反应产物Al₃BC和TiB₂对B₄C/Al复合材料颗粒润湿性及界面结合强度的影响机制。结果表明，界面反应产物为Al₃BC时，B₄C颗粒润湿性没有得到实质性改善，存在明显的颗粒团聚现象，界面结合强度较低且过度的界面反应使B₄C颗粒分解损耗严重，导致B₄C颗粒增强效果不明显；而通过添加Ti元素使界面反应产物为TiB₂时，颗粒润湿性明显改善，B₄C颗粒团聚现象显著减少，界面结合强度较高，力学性能得到显著提高。这主要是由于不同终端的Al(111)/TiB₂(0001)界面黏附功均大于Al(111)/B₄C(0001)的界面黏附功，表明界面反应产物TiB₂可以提高B₄C颗粒的润湿性，而界面反应产物Al₃BC对提高B₄C颗粒的润湿性非常有限；Al(111)/Al₃BC(0001)和Al(111)/TiB₂(0001)的界面上均形成了混合的共价键/金属键；Al(111)/TiB₂(0001)的界面上的化学键作用力更大，相应地界面结合强度也更大。
- B₄C/Al复合材料 /
- 第一性原理 /
- 润湿性 /
- 力学性能 /
- 黏附功 /
- 偏态密度(PDOS)
Abstract: The B₄C/Al composites were prepared by stirring casting method. The method of experimental analysis combined with first-principles calculations was used to explore the influence mechanism of the interfacial reaction products Al₃BC and TiB₂ on the wettability of B₄C/Al composite particles and the interfacial bonding strength. The results show that when the interface reaction product is Al₃BC, the wettability of B₄C particles has not been substantially improved, particle agglomeration still exists, and the interface bonding is poor. Excessive interface reaction makes the decomposition and loss of B₄C particles serious, resulting in insignificant strengthening effect of B₄C particles. When the interface reaction product is TiB₂ by adding Ti element, the particle wettability is significantly improved, the agglomeration of B₄C particles is significantly reduced, the interface bonding strength is higher, and the mechanical properties are significantly improved. The Al(111)/TiB₂(0001) interface adhesion work of different terminals is greater than that of Al(111)/B₄C(0001), indicating that the interface reaction product TiB₂ can improve the wettability of B₄C particles. The interface reaction product Al₃BC is very limited in improving the wettability of B₄C particles. A mixed covalent/metallic bond is formed on the interface of Al(111)/Al₃BC(0001) and Al(111)/TiB₂(0001). The chemical bonding strength on the Al(111)/TiB₂(0001) interface is greater, and the interface bonding strength is correspondingly greater.
- B₄C/Al composite /
- first principles /
- wettability /
- mechanical property /
- adhesion work /
- partial density of states (PDOS)

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图 1 Al(111)/B₄C(0001) ((a)、(b))、Al(111)/Al₃BC (0001) ((c)~(e)) 和Al(111)/TiB₂(0001) ((f)、(g)) 的界面模型

Figure 1. Interface models of Al(111)/B₄C(0001) interface ((a), (b)), Al(111)/Al₃BC (0001) interface ((c)-(e)) and Al(111)/TiB₂(0001) ((f), (g))

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图 2 B₄C/Al复合材料的SEM图像：(a)、(b)不含Ti，颗粒团聚明显；(c)、(d)含Ti，颗粒分布较均匀

Figure 2. SEM images of B₄C/Al composites: (a), (b) Without Ti, obvious particle agglomeration; (c), (d) With Ti, more uniform particle distribution

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图 3 B₄C/Al复合材料界面微结构的TEM图像：(a)、(b)不含Ti复合材料界面存在微缝隙；(c)、(d)含Ti复合材料界面存在TiB₂细晶层

Figure 3. TEM images of interfacial microstructure in B₄C/Al composites: (a), (b) Showing the interfacial cracks of the Ti-free composite; (c), (d) Showing a continuous TiB₂ layer of the Ti-containing composite

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图 4 B₄C/Al复合材料的SEM断口形貌：(a)、(b)不含Ti；(c)、(d)含Ti

Figure 4. SEM fracture surface morphologies of B₄C/Al composites: (a), (b) Without Ti; (c), (d) With Ti

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图 5 Al(111)/Al₃BC(0001)界面 (a) 和Al(111)/TiB₂(0001)界面 (b) 附近原子层的偏态密度(PDOS)

Figure 5. Partial density of states (PDOS) of the atomic layers near Al(111)/Al₃BC(0001) interface (a) and Al(111)/TiB₂(0001) interface (b)

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图 6 Al(111)/Al₃BC(0001)界面(a) 和Al(111)/TiB₂(0001)界面 (b) 的差分电荷密度

Figure 6. Charge density differences of Al(111)/Al₃BC(0001) interface (a) and Al(111)/TiB₂(0001) interface (b)

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表 1 B₄C/Al复合材料的力学性能

Table 1. Mechanical properties of B₄C/Al composites

Sample	Particle content/wt%	Poriness/%	Hardness/MPa	Tensile strength/MPa	Ductility/%
Pure aluminium	−	−	−	40±2.7	34.2±0.7
B₄C/Al, Ti 0.0wt%	10	3.6±1.3	45.6±0.3	89±6.8	5.2±2.6
B₄C/Al, Ti 3.5wt%	10	1.8±0.3	52.1±0.2	139±6.5	9.7±1.9
B₄C/Al, Ti 1.5wt%^a	15	−	−	111.1±0.5	19.1±2.8
B₄C/Al, Ti 1.5wt%^b	15	−	34±0.9	100.9±0.4	23.1±1.5
Notes: ^a Ref. [22]; ^b Ref. [23].

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表 2 Al(111)/B₄C(0001)、Al(111)/Al₃BC(0001)和Al(111)/TiB₂(0001)界面的黏附功W_ad

Table 2. Adhesion work W_ad of Al(111)/B₄C(0001) interfaces, Al(111)/Al₃BC(0001) interfaces and Al(111)/TiB₂(0001) interfaces

Interface	Termination	W_ad/(J·m⁻²)
Al(111)/B₄C(0001)	B-	1.328
Al(111)/B₄C(0001)	C-	1.853
Al(111)/Al₃BC(0001)	B-	1.976
	AlC-	0.560
	Al-	1.352
Al(111)/TiB₂(0001)	Ti-	3.085
Al(111)/TiB₂(0001)	B-	2.631

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