Cristiano Woellner1 Chandkiram Gautam2 3 Dibyendu Chakravarty3 Vijay Mishra4 Naseer Ahamad4 Amarendra Gautam3 Sehmus Ozden5 Sujin Jose6 Santoshkumar Biradar2 Robert Vajtai2 Ritu Trivedi4 Chandra Tiwary2 Douglas Galvao1 Pulickel Ajayan2

1, University of Campinas, Campinas, , Brazil
2, Rice University, Houston, Texas, United States
3, University of Lucknow, Lucknow, , India
4, CSIR-Central Drug Research Institute, Lucknow, , India
5, Los Alamos National Laboratory, Los Alamos, New Mexico, United States
6, Madurai Kamaraj University, Madurai, , India

Recent demands and advances in biomedical applications drive a large amount of research to synthesize easily scalable low-density high strength and wear resistant biomaterials [1]. The chemical inertness and low density combined with high strength makes hexagonal boron nitride (h-BN) one of the promising materials for such application [2]. In this work [3], 3D h-BN interconnected with boron trioxide (B2O3) was prepared by easily scalable and energy efficient spark plasma sintering (SPS) process. The composite structure shows significant densification and high surface area at an extremely low SPS temperature. A high compressive strength with a reasonably good wear resistance was obtained for the composite structure. In order to understand the effect of SPS processing on the mechanical property enhancement in the h-BN/B2O3 composites, a structural model mimicking SPS process was proposed and carried out through full atomistic molecular dynamics simulations [4,5]. The efficiency of the mechanical response of the composite can be attributed to the formation of strong covalent bonds between h-BN and B2O3.

[1] D. Chakravarty, C. S. Tiwary, C. F. Woellner, S. Radhakrishnan, S. Vinod, S. Ozden, P. A. S. Autreto, S. Bhowmick, S. Asif, S. A. Mani, D. S. Galvao and P. M. Ajayan, Adv. Mater. 28, 8959 (2016).
[2] J. Yin, X. Li, J. Zhou, W. Guo, Nano Lett. 13, 3232 (2013).
[3] C. Gautam, D. Chakravarty, C. F. Woellner, V. K. Mishra, N. Ahamad, A. Gautam, S. Ozden, S. Jose, S. Biradar, R. Vajtai, R. Trivedi, C. S. Tiwary, D.S. Galv√£o, and P.M. Ajayan (submitted).
[4] S. Plimpton, J. Comput. Phys. 117, 1 (1995).
[5] A. C. T. van Duin, S. Dasgupta, F. Lorant, and W. A. Goddard III, J. Phys. Chem. A 105, 9396 (2001).