Mechanical properties and atomistic deformation mechanism of gamma-Y(2)Si(2)O(7) from first-principles investigations
文献类型：期刊论文
| 作者 | J. Y. Wang ; Y. C. Zhou ; Z. J. Lin |
| 刊名 | Acta Materialia
 |
| 出版日期 | 2007 |
| 卷号 | 55期号:17页码:6019-6026 |
| 关键词 | ceramics elastic behaviour quasi-ductility first-principles calculation pressed silicon-nitride ternary carbides strength disilicate ceramics behavior diamond |
| ISSN号 | 1359-6454 |
| 中文摘要 | The theoretical mechanical properties and atomistic shear deformation mechanisms Of gamma-Y(2)Si(2)O(7), one of the most refractory silicates and potentially useful as a high-temperature structural ceramic, were investigated using first-principles calculations. The material shows low shear moduli to bulk modulus ratios, as well as a low ideal shear strength to tensile strength ratio. The unusual low shear deformation resistance of gamma-Y(2)Si(2)O(7) originates from the inhomogeneous strength of its chemical bonds. The Y-O bond is weaker and readily stretches and shrinks; and Si-O bond is stronger and more rigid. The relative softer YO(6) octahedron positively accommodates shear deformation by structural distortion, while the Si(2)O(7) pyrosilicate unit is more resistant to deformation. The reported shear-load-bearing mechanism is quite similar to those found in the "quasi-ductile" LaPO(4) monazite and ternary layered carbides (the so-called MAX phases), and can endow gamma-Y(2)Si(2)O(7) with quasi-ductility and damage tolerance. (C) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33866]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | J. Y. Wang,Y. C. Zhou,Z. J. Lin. Mechanical properties and atomistic deformation mechanism of gamma-Y(2)Si(2)O(7) from first-principles investigations[J]. Acta Materialia,2007,55(17):6019-6026. |
| APA | J. Y. Wang,Y. C. Zhou,&Z. J. Lin.(2007).Mechanical properties and atomistic deformation mechanism of gamma-Y(2)Si(2)O(7) from first-principles investigations.Acta Materialia,55(17),6019-6026. |
| MLA | J. Y. Wang,et al."Mechanical properties and atomistic deformation mechanism of gamma-Y(2)Si(2)O(7) from first-principles investigations".Acta Materialia 55.17(2007):6019-6026. |
入库方式： OAI收割
来源：金属研究所
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