Unprecedented plastic flow channel in γB28 through ultrasoft bonds: A challenge to superhardness

S. H. Zhang, X. Zheng, Q. Q. Jin, S. J. Zheng, D. Legut, X. H. Yu, H. Y. Gou, Z. H. Fu, Y. Q. Guo, B. M. Yan, C. Peng, C. Q. Jin, T. C. Germann, and R. F. Zhang
Phys. Rev. Materials 2, 123602 – Published 13 December 2018
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Abstract

A longstanding controversy remains whether γB28 is intrinsically superhard or not, i.e., Hv40GPa. Here we perform comprehensive investigations on the mechanical properties of γB28 to reveal the plasticity and failure mode of γB28 through the unique combination of microindentation experiment, the ideal strength approach, and the ab initio informed Peierls-Nabarro model. A low load-invariant hardness of ∼30 GPa is found for both polycrystalline and monocrystalline γB28. By carefully checking the strength anisotropy and strain facilitated phonon instability, a surprising ideal strength of 23.1 GPa is revealed along the (001)[010] slip system for γB28, together with an inferior Peierls stress of 3.2 GPa, both of which are close to those of B6O and ZrB12 yet much lower than those of diamond and c-BN. These results suggest that γB28 could not be intrinsically superhard. Atomistic simulation and electronic structure analysis uncover an unprecedented plastic flow channel through the specific ultrasoft bonding, which causes a dramatic softening of γB28. These findings highlight an approach to quantifying the realistic hardness by means of two plasticity descriptors beyond the elastic limit, i.e., the ideal strength approach and the Peierls-Nabarro model.

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  • Received 19 March 2018
  • Revised 9 August 2018

DOI:https://doi.org/10.1103/PhysRevMaterials.2.123602

©2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

S. H. Zhang1,2, X. Zheng3, Q. Q. Jin4, S. J. Zheng4, D. Legut5, X. H. Yu3,*, H. Y. Gou6,*, Z. H. Fu1,2, Y. Q. Guo1,2, B. M. Yan6, C. Peng6, C. Q. Jin3, T. C. Germann7, and R. F. Zhang1,2,*

  • 1School of Materials Science and Engineering, Beihang University, Beijing 100191, People's Republic of China
  • 2Center for Integrated Computational Materials Engineering, International Research Institute for Multidisciplinary Science, Beihang University, Beijing 100191, People's Republic of China
  • 3Beijing National Laboratory for Condensed Matter, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, People's Republic of China
  • 4Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
  • 5IT4Innovations Center, VSB-Technical University of Ostrava, CZ-70833 Ostrava, Czech Republic
  • 6Center for High Pressure Science and Technology Advanced Research Room C208, No.10 Dongbeiwang West Road, Haidian, Beijing 100094, China
  • 7Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA

  • *Corresponding authors: yuxh@iphy.ac.cn; huiyang.gou@hpstar.ac.cn; zrf@buaa.edu.cn

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Issue

Vol. 2, Iss. 12 — December 2018

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