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Indexed by:期刊论文

Date of Publication:2011-07-01

Journal:DIAMOND AND RELATED MATERIALS

Included Journals:SCIE、EI

Volume:20

Issue:7

Page Number:891-895

ISSN No.:0925-9635

Key Words:Amorphous B-C-N solid; Mechanical property; Formation ability

Abstract:Based on first-principles calculations, we present the distributions of mechanical properties and formation ability of amorphous B(x)C(y)N(z) solids on the ternary B-C-N phase diagram. Along the C-BN isoelectronic line, the formation energy shows symmetric distributions; the Young's modulus and ratio of bulk modulus and shear modulus (B/G) show zonal distributions. Amazingly, for some peculiar compositions (B: 13-17 at.%; C: 48-52 at.%; N: 33-35 at.%), B-C-N solids exhibit certain ductile characteristic that is comparable to metals. On the phase area (B: 15-30 at.%; C: 50-60 at.%; N: 20-30 at.%), B-C-N solids possess both excellent hardness and good formation ability. These theoretical results provide valuable guidance for intentionally synthesizing B(x)C(y)N(z) materials with desirable mechanical properties. (C) 2011 Elsevier B.V. All rights reserved.