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
计量
- 文章访问数: 857
- HTML全文浏览量: 588
- PDF下载量: 49
- 被引次数: 0
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)

HTML全文

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))

下载: 全尺寸图片幻灯片

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

下载: 全尺寸图片幻灯片

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

下载: 全尺寸图片幻灯片

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

下载: 全尺寸图片幻灯片

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)

下载: 全尺寸图片幻灯片

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)

下载: 全尺寸图片幻灯片

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].

下载: 导出CSV

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

下载: 导出CSV

参考文献(25)

[1]	杨涛, 刘润爱, 王文先, 等. 热轧高含量B₄C颗粒增强Al基复合材料的成形性能[J]. 复合材料学报, 2021, 38(7):2234-2243. YANG T, LIU R A, WANG W X, et al. Theformability of high content B₄C particle reinforced Al matrix composites by hot rolling[J]. Acta Materiae Compositae Sinica,2021,38(7):2234-2243(in Chinese).
[2]	童攀, 林立, 王全兆, 等. 颗粒尺寸对B₄C增强铝基中子吸收材料界面反应与力学性能的影响[J]. 复合材料学报, 2019, 36(4):927-937. TONG P, LIN L. WANG Q Z, et al. Effects of particle size on interfacial reaction and mechanical properties of B₄C reinforced aluminum matrix neutron absorber materials[J]. Acta Materiae Compositate Sinica,2019,36(4):927-937(in Chinese).
[3]	靳涛, 王伟, 庞晓轩, 等. 热轧工艺对20% B₄C/Al复合材料显微组织及缺陷的影响[J]. 材料导报, 2017, 31(S1):102-104. JIN Tao, WANG Wei, PANG Xiaoxuan, et al. Effect of hot rolling process on the microstructures and defects of 20wt% B₄C/Al composites[J]. Materials Reports,2017,31(S1):102-104(in Chinese).
[4]	周丽, 张鹏飞, 王全兆, 等. B₄C/6061Al复合材料热压缩断裂行为的多尺度研究[J]. 金属学报, 2019, 55(7):911-918. ZHOU Li, ZHANG Pengfei, WANG Quanzhao, et al. Multi-scale study on the fracture behavior of hot compression B₄C/6061Al composite[J]. Acta Metallurgica Sinica,2019,55(7):911-918(in Chinese).
[5]	KALAISELVAN K, MURUGAN N, PARAMESWARAN S. Production and characterization of AA6061–B₄C stir cast composite[J]. Materials & Design,2011,32(7):4004-4009.
[6]	邹爱华, 周贤良, 康志兵, 等. 不连续界面相Al₄C₃对SiC/Al复合材料界面结合影响的第一性原理及实验[J]. 复合材料学报, 2021, 38(3):824-831. ZOU Aihua, ZHOU Xianliang, KANG Zhibing, et al. Effect of discontinuous interfacial phase Al₄C₃ on interface bonding of SiC/Al composites: A first-principle and experiment[J]. Acta Materiae Compositae Sinica,2021,38(3):824-831(in Chinese).
[7]	GUO Hao, ZHANG Zhongwu, ZHANG Yang, et al. Improving the mechanical properties of B₄C/Al composites by solidstate interfacial reaction[J]. Journal of Alloys and Compounds,2020,829:154521. doi: 10.1016/j.jallcom.2020.154521
[8]	MO Zhuoqiang, LIU Yunzhong, GENG Jiangjiang, et al. The effects of temperatures on microstructure evolution and mechanical properties of B₄C-AA2024 composite strips prepared by semi-solid powder rolling[J]. Materials Science & Engineering A,2016,652(15):305-314.
[9]	CHEN H S, WANG W X, LI Y L, et al. The design, microstructure and tensile properties of B₄C particulate reinforced 6061Al neutron absorber composites[J]. Journal of Alloys and Compounds,2015,632:23-29. doi: 10.1016/j.jallcom.2015.01.048
[10]	LI Yuli, WANG Wenxian, ZHOU Jun, et al. ¹⁰B areal density: A novel approach for design and fabrication of B₄C/6061Al neutron absorbing materials[J]. Journal of Nuclear Mater-ials,2017,487:238-246. doi: 10.1016/j.jnucmat.2017.02.020
[11]	ZHANG Z, FORTIN K, CHARETTE A, et al. Effect of titanium on microstructure and fluidity of Al-B₄C composites[J]. Journal of Materials Ence,2011,46(9):3176-3185.
[12]	HU Qiyao, ZHAO Haidong, LI Fangdong et al. Effects of manufacturing processes on microstructure and properties of Al/A356-B₄C composites[J]. Materials and Manufacturing Processes,2016,31(10):1292-1300. doi: 10.1080/10426914.2016.1151049
[13]	朱刚. SiCp/6061搅拌制备及铸造组织性能的研究[D]. 广州: 华南理工大学, 2015. ZHU Gang. Research on microstructure and mechanical properities of SiCp/6061 composites prepared by stirring technology[D]. Guangzhou: South China University of Technology, 2015(in Chinese).
[14]	PERDEW J P, BURKE K, ERNZERHOF M, et al. Generalized gradient approximation made simple[J]. Physical Review Letters,1996,77:3865.
[15]	LAASONEN K, PASQUARELLO A, CAR R, et al. Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials[J]. Physical Review B Condensed Matter,1993,47(16):10142. doi: 10.1103/PhysRevB.47.10142
[16]	FROYEN S. Brillouin-zone integration by Fourier quadra-ture: Special points for superlattice and supercell calculations[J]. Physical Review B Condensed Matter,1989,39(5):3168-3172. doi: 10.1103/PhysRevB.39.3168
[17]	DENG Chao, XU Ben, WU Ping, et al. Stability of the Al/TiB₂ interface and doping effects of Mg/Si[J]. Applied Surface Science,2017,425:639-645. doi: 10.1016/j.apsusc.2017.06.227
[18]	XIAN Yajiang, QIU Ruizhi, WANG Xin, et al. Interfacial properties and electron structure of Al/B₄C interface: A first-principles study[J]. Journal of Nuclear Materials,2016,478:227-235. doi: 10.1016/j.jnucmat.2016.06.015
[19]	YANG Jian, HUANG Jihua, FAN Shuhai, et al. LaAlO₃ as the heterogeneous nucleus of ferrite: Experimental investigation and theoretical calculation[J]. Journal of Alloys and Compounds,2016,683:357-369. doi: 10.1016/j.jallcom.2016.05.091
[20]	HU Qiyao, ZHAO Haidong, GE Jilong, et al. Microstructure and mechanical properties of (B₄C+Al₃Ti)/Al hybrid composite fabricated by a two-step stir casting process[J]. Materials Science & Engineering A,2016,650:478-482.
[21]	ZHANG Jingjing, JUNG Moolee, YOUNG Heecho, et al. Effect of the Ti/B₄C mole ratio on the reaction products and reaction mechanism in an Al-Ti-B₄C powder mixture[J]. Materials Chemistry and Physics,2014,147(3):925-933. doi: 10.1016/j.matchemphys.2014.06.039
[22]	RUAN Qing, JIA Yuzhen, ZHENG Jiyun et al. Improvement on mechanical property of B₄C/Al composites by addition of Ti through interfacial reaction[J]. Rare Metal Materials and Engineering,2019,48(6):1777-1784.
[23]	LI Yu, LI Qinliu, LIU Wei, et al. Effect of Ti content and stirring time on microstructure and mechanical behavior of Al-B₄C composites[J]. Journal of Alloys and Compounds,2016,684:496-503. doi: 10.1016/j.jallcom.2016.05.135
[24]	ZHANG W, SMITH J R. Stoichiometry and adhesion of Nb/Al₂O₃[J]. Physical Review B,2000,61(24):16883-16889.
[25]	WANG Zhixuan, LI Qiulin, ZHENG Jiyuan, et al. Improving Al wettability on B₄C by transition metal doping: A combined DFT and experiment study[J]. Rare Metal Materials and Engineering,2017,46(9):2345-2351. doi: 10.1016/S1875-5372(17)30195-9