IMR OpenIR
Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures
Niu, Haiyang; Oganov, Artem R.; Chen, Xing-Qiu; Li, Dianzhong; artem.oganov@stonybrook.edu; xingqiu.chen@imr.ac.cn
2015
Source PublicationSCIENTIFIC REPORTS
ISSN2045-2322
Volume5Pages:-
AbstractThe Mg-Si-O system is the major Earth and rocky planet-forming system. Here, through quantum variable-composition evolutionary structure explorations, we have discovered several unexpected stable binary and ternary compounds in the Mg-Si-O system. Besides the well-known SiO2 phases, we have found two extraordinary silicon oxides, SiO3 and SiO, which become stable at pressures above 0.51 TPa and 1.89 TPa, respectively. In the Mg-O system, we have found one new compound, MgO3, which becomes stable at 0.89 TPa. We find that not only the (MgO)(x)center dot(SiO2)(y) compounds, but also two (MgO3)(x)center dot(SiO3)(y) compounds, MgSi3O12 and MgSiO6, have stability fields above 2.41 TPa and 2.95 TPa, respectively. The highly oxidized MgSi3O12 can form in deep mantles of mega-Earths with masses above 20 M-circle plus (M-circle plus:Earth's mass). Furthermore, the dissociation pathways of pPv-MgSiO3 are also clarified, and found to be different at low and high temperatures. The low-temperature pathway is MgSiO3. Mg2SiO4 + MgSi2O5 -> SiO2 + Mg2SiO4 -> MgO + SiO2, while the high-temperature pathway is MgSiO3 center dot Mg2SiO4 + MgSi2O5 center dot MgO + MgSi2O5 center dot MgO + SiO2. Present results are relevant for models of the internal structure of giant exoplanets, and for understanding the high-pressure behavior of materials.
description.department[niu, haiyang ; oganov, artem r.] moscow inst phys & technol, dolgoprudny city 141700, moscow region, russia ; [niu, haiyang ; chen, xing-qiu ; li, dianzhong] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china ; [oganov, artem r.] skolkovo innovat ctr, skolkovo inst sci & technol, moscow 143026, russia ; [niu, haiyang ; oganov, artem r.] suny stony brook, ctr mat design, dept geosci, stony brook, ny 11794 usa ; [niu, haiyang ; oganov, artem r.] suny stony brook, inst adv computat sci, stony brook, ny 11794 usa ; [oganov, artem r.] northwestern polytech univ, sch mat sci, xian 710072, peoples r china
Funding OrganizationGovernment of the Russian Federation [14.A12.31.0003]; US National Science Foundation [EAR-1114313, DMR-1231586]; DARPA [W31P4Q1310005]; "Hundred Talents Project" of Chinese Academy of Sciences; NSFC of China [51074151]; Beijing Supercomputing Center of CAS (including its Shenyang branch)
Indexed Bysci
Language英语
WOS IDWOS:000367034600001
Citation statistics
Cited Times:26[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/75067
Collection中国科学院金属研究所
Corresponding Authorartem.oganov@stonybrook.edu; xingqiu.chen@imr.ac.cn
Recommended Citation
GB/T 7714
Niu, Haiyang,Oganov, Artem R.,Chen, Xing-Qiu,et al. Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures[J]. SCIENTIFIC REPORTS,2015,5:-.
APA Niu, Haiyang,Oganov, Artem R.,Chen, Xing-Qiu,Li, Dianzhong,artem.oganov@stonybrook.edu,&xingqiu.chen@imr.ac.cn.(2015).Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures.SCIENTIFIC REPORTS,5,-.
MLA Niu, Haiyang,et al."Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures".SCIENTIFIC REPORTS 5(2015):-.
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
[Niu, Haiyang]'s Articles
[Oganov, Artem R.]'s Articles
[Chen, Xing-Qiu]'s Articles
Baidu academic
Similar articles in Baidu academic
[Niu, Haiyang]'s Articles
[Oganov, Artem R.]'s Articles
[Chen, Xing-Qiu]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Niu, Haiyang]'s Articles
[Oganov, Artem R.]'s Articles
[Chen, Xing-Qiu]'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.