IMR OpenIR
Theoretical investigations of the effects of ordered carbon vacancies in ZrC1-x on phase stability and thermo-mechanical properties
Zhang, Yanhui; Liu, Bin; Wang, Jiemin; Wang, Jingyang; Wang, JY (reprint author), Chinese Acad Sci, Inst Met Res, High Performance Ceram Div, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China.
2016-06-01
Source PublicationACTA MATERIALIA
ISSN1359-6454
Volume111Pages:232-241
AbstractThe carbon deficiency and the ordering of carbon vacancies (V(C)s) in ZrC1-x are well known phenomena and significant for the performance management and service reliability. Using first-principles calculations to identify structural characteristics and stabilities, we report three kinds of vacancy-ordered phases, stable, metastable and "faulted" structures among vast ZrC1-x configurations. The intrinsic elasticity and hardness of ordered ZrCi, are shown in linear dependence on carbon composition. In contrast, the thermal conductivity of ZrC1-x is not only dependent on the composition, but also strongly modified by the vacancy configuration. These results ensure the prediction of mechanical properties and also provide a guideline to tailor the thermal conductivity of ZrC1-x through tuning the V-C characteristics. The variable-composition, diverse-configuration and tunable-property of ZrC1-x promise the engineering of its ordered phases, service performance and consequently the extension of its technological applications in the future. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
description.department[zhang, yanhui ; wang, jiemin ; wang, jingyang] chinese acad sci, inst met res, high performance ceram div, shenyang natl lab mat sci, shenyang 110016, peoples r china ; [liu, bin] shanghai univ, sch mat sci & engn, 99 shangda, shanghai 20044, peoples r china
KeywordZirconium Carbide Sub-stoichiometry Mechanical/thermal Properties First-principles Calculations
Subject AreaMaterials Science ; Metallurgy & Metallurgical Engineering
Funding OrganizationNatural Sciences Foundation of China [51032006, 51372252]
Indexed Bysci
Language英语
WOS IDWOS:000375812100025
Citation statistics
Cited Times:12[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/75861
Collection中国科学院金属研究所
Corresponding AuthorWang, JY (reprint author), Chinese Acad Sci, Inst Met Res, High Performance Ceram Div, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China.
Recommended Citation
GB/T 7714
Zhang, Yanhui,Liu, Bin,Wang, Jiemin,et al. Theoretical investigations of the effects of ordered carbon vacancies in ZrC1-x on phase stability and thermo-mechanical properties[J]. ACTA MATERIALIA,2016,111:232-241.
APA Zhang, Yanhui,Liu, Bin,Wang, Jiemin,Wang, Jingyang,&Wang, JY .(2016).Theoretical investigations of the effects of ordered carbon vacancies in ZrC1-x on phase stability and thermo-mechanical properties.ACTA MATERIALIA,111,232-241.
MLA Zhang, Yanhui,et al."Theoretical investigations of the effects of ordered carbon vacancies in ZrC1-x on phase stability and thermo-mechanical properties".ACTA MATERIALIA 111(2016):232-241.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Zhang, Yanhui]'s Articles
[Liu, Bin]'s Articles
[Wang, Jiemin]'s Articles
Baidu academic
Similar articles in Baidu academic
[Zhang, Yanhui]'s Articles
[Liu, Bin]'s Articles
[Wang, Jiemin]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Zhang, Yanhui]'s Articles
[Liu, Bin]'s Articles
[Wang, Jiemin]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.