Mechanical properties and atomistic deformation mechanism of gamma-y2si2o7 from first-principles investigations
文献类型：期刊论文
| 作者 | Wang, J. Y.; Zhou, Y. C.; Lin, Z. J. |
| 刊名 | Acta materialia
 |
| 出版日期 | 2007-10-01 |
| 卷号 | 55期号:17页码:6019-6026 |
| 关键词 | Ceramics Elastic behaviour Quasi-ductility First-principles calculation |
| ISSN号 | 1359-6454 |
| DOI | 10.1016/j.actamat.2007.07.010 |
| 通讯作者 | Wang, j. y.(jywang@imr.ac.cn) |
| 英文摘要 | The theoretical mechanical properties and atomistic shear deformation mechanisms of gamma-y2si2o7, 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-y2si2o7 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 yo6 octahedron positively accommodates shear deformation by structural distortion, while the si2o7 pyrosilicate unit is more resistant to deformation. the reported shear-load-bearing mechanism is quite similar to those found in the "quasi-ductile" lapo4 monazite and ternary layered carbides (the so-called max phases), and can endow gamma-y2si2o7 with quasi-ductility and damage tolerance. (c) 2007 acta materialia inc. published by elsevier ltd. all rights reserved. |
| WOS关键词 | PRESSED SILICON-NITRIDE ; TERNARY CARBIDES ; STRENGTH ; DISILICATE ; CERAMICS ; BEHAVIOR ; DIAMOND |
| WOS研究方向 | Materials Science ; Metallurgy & Metallurgical Engineering |
| WOS类目 | Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000250355700034 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2381339 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Wang, J. Y. |
| 作者单位 | 1.Chinese Acad Sci, Met Res Inst, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Natl Inst Mat Sci, Int Ctr Young Scientists ICYS, Tsukuba, Ibaraki 3050044, Japan 3.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, J. Y.,Zhou, Y. C.,Lin, Z. J.. Mechanical properties and atomistic deformation mechanism of gamma-y2si2o7 from first-principles investigations[J]. Acta materialia,2007,55(17):6019-6026. |
| APA | Wang, J. Y.,Zhou, Y. C.,&Lin, Z. J..(2007).Mechanical properties and atomistic deformation mechanism of gamma-y2si2o7 from first-principles investigations.Acta materialia,55(17),6019-6026. |
| MLA | Wang, J. Y.,et al."Mechanical properties and atomistic deformation mechanism of gamma-y2si2o7 from first-principles investigations".Acta materialia 55.17(2007):6019-6026. |
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来源：中国科学院大学
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