TY - JOUR
T1 - Notch effects on deformation of crystalline and amorphous AlN – A nanoscale study
AU - Zhao, Yinbo
AU - Peng, Xianghe
AU - Huang, Cheng
AU - Fu, Tao
AU - Yang, Bo
AU - Hu, Ning
AU - Xi, Yunfei
AU - Yan, Cheng
N1 - Funding Information:
The authors gratefully acknowledge the financial support from National Natural Science Foundation of China (Grant nos. 11332013 , 11632004 ), ARC Discovery Project ( 180102003 ), Chongqing Graduate Student Research Innovation Project (Grant no. CYB17019 ), the Program of China Scholarships Council (No. 201606050043 ), Key Program for International Science and Technology Cooperation Projects of Ministry of Science and Technology of China (No. 2016YFE0125900 ), and Key Project of Natural Science Foundation of CQ CSTC (No. cstc2017jcyjBX0063 ). The High Performance Computing (HPC) and CARF at QUT have kindly provided access to their facilities.
Funding Information:
The authors gratefully acknowledge the financial support from National Natural Science Foundation of China (Grant nos. 11332013, 11632004), ARC Discovery Project (180102003), Chongqing Graduate Student Research Innovation Project (Grant no. CYB17019), the Program of China Scholarships Council (No. 201606050043), Key Program for International Science and Technology Cooperation Projects of Ministry of Science and Technology of China (No. 2016YFE0125900), and Key Project of Natural Science Foundation of CQ CSTC (No. cstc2017jcyjBX0063). The High Performance Computing (HPC) and CARF at QUT have kindly provided access to their facilities.
Publisher Copyright:
© 2018 Elsevier Ltd and Techna Group S.r.l.
PY - 2019/1
Y1 - 2019/1
N2 - Aluminum nitrides (AlNs) have many unique properties for broad applications. However, their mechanical behaviour has not been well understood. In this work, the notch effects on the deformation of wurtzite AlN (w-AlN) and amorphous AlN (a-AlN) under tension were investigated using molecular dynamics simulations. As compared to w-AlN, lower strength sensitivity to the notch and the improved fracture toughness are observed in a-AlN, which are attributed to the short-range ordered atomic arrangement, rupture, reconstruction and rotation of bonds during deformation. The introduction of notch leads to obviously reduced strength and ductility in the w-AlN and a-AlN, respectively. The deformation in intact a-AlN is dominated by the formation of shear bands, followed by void coalescence. On the other hand, the deformation in notched a-AlN starts from the development of shear transformation zone near to the notches, followed by void coalescence. These results are useful in design of AlN based systems and devices.
AB - Aluminum nitrides (AlNs) have many unique properties for broad applications. However, their mechanical behaviour has not been well understood. In this work, the notch effects on the deformation of wurtzite AlN (w-AlN) and amorphous AlN (a-AlN) under tension were investigated using molecular dynamics simulations. As compared to w-AlN, lower strength sensitivity to the notch and the improved fracture toughness are observed in a-AlN, which are attributed to the short-range ordered atomic arrangement, rupture, reconstruction and rotation of bonds during deformation. The introduction of notch leads to obviously reduced strength and ductility in the w-AlN and a-AlN, respectively. The deformation in intact a-AlN is dominated by the formation of shear bands, followed by void coalescence. On the other hand, the deformation in notched a-AlN starts from the development of shear transformation zone near to the notches, followed by void coalescence. These results are useful in design of AlN based systems and devices.
KW - Amorphous AlN
KW - Fracture toughness
KW - Molecular dynamics simulations
KW - Notch effect
KW - Wurtzite AlN
UR - http://www.scopus.com/inward/record.url?scp=85054161903&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85054161903&partnerID=8YFLogxK
U2 - 10.1016/j.ceramint.2018.09.266
DO - 10.1016/j.ceramint.2018.09.266
M3 - Article
AN - SCOPUS:85054161903
VL - 45
SP - 907
EP - 917
JO - Ceramics International
JF - Ceramics International
SN - 0272-8842
IS - 1
ER -