Mechanical properties and atomistic deformation mechanism of gamma-Y2Si2O7 from first-principles investigations

doi:10.1016/j.actamat.2007.07.010

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	Mechanical properties and atomistic deformation mechanism of gamma-Y2Si2O7 from first-principles investigations
	Wang, J. Y.; Zhou, Y. C.; Lin, Z. J.
刊名	ACTA MATERIALIA
	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研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000250355700034
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/90968]
专题	金属研究所_中国科学院金属研究所
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.