Microalloying Boron Carbide with Silicon to Achieve Dramatically Improved Ductility
- Creators
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An, Qi
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Goddard, William A., III
Abstract
Boron carbide (B_4C) is a hard material whose value for extended engineering applications such as body armor; is limited by its brittleness under impact. To improve the ductility while retaining hardness, we used density functional theory to examine modifying B_4C ductility through microalloying. We found that replacing the CBC chain in B_4C with Si–Si, denoted as (B_(11)C_p)–S_i_2, dramatically improves the ductility, allowing a continuous shear to a large strain of 0.802 (about twice of B_4C failure strain) without brittle failure. Moreover, (B_(11)C)–Si_2 retains low density and high hardness. This ductility improvement arises because the Si–Si linkages enable the icosahedra accommodate additional shear by rotating instead of breaking bonds.
Additional Information
© 2014 American Chemical Society. Received: October 27, 2014; Accepted: November 18, 2014; Published: November 18, 2014. We thank Dr. Sergey Zybin and Dr. Andres Jaramillo-Botero at Caltech for the useful discussions. This work was supported by the Defense Advanced Research Projects Agency (W31P4Q-13-1-0010, program manager, Judah Goldwasser). The computers used in these studies were provided by NSF-CSEM and ONR-DURIP grants. The crystal structure was drawn using the VESTA software.Additional details
- Eprint ID
- 53181
- DOI
- 10.1021/jz5022697
- Resolver ID
- CaltechAUTHORS:20150105-123829766
- Defense Advanced Research Projects Agency (DARPA)
- W31P4Q-13-1-0010
- NSF
- Office of Naval Research (ONR)
- Created
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2015-01-06Created from EPrint's datestamp field
- Updated
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2021-11-10Created from EPrint's last_modified field