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论文类型： 期刊论文

发表时间： 2011-07-01

发表刊物： DIAMOND AND RELATED MATERIALS

收录刊物： SCIE、EI

卷号： 20

期号： 7

页面范围： 891-895

ISSN号： 0925-9635

关键字： Amorphous B-C-N solid; Mechanical property; Formation ability

摘要： 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.