Zobrazeno 1 - 10
of 172
pro vyhledávání: '"Bi-yu Tang"'
Publikováno v:
Journal of Materials Research and Technology, Vol 26, Iss , Pp 8136-8148 (2023)
Multicomponent ceramics have attracted increasingly attention due to their potential applications. Employing density functional theory (DFT) and the special quasi-random structure (SQS), the structural stability and elastic characteristics of TiCNO a
Externí odkaz:
https://doaj.org/article/f5f416249d9e494294f219561f637b4b
Publikováno v:
Materials & Design, Vol 224, Iss , Pp 111308- (2022)
High-entropy perovskite oxides are novel high-entropy ceramics developing recently. In this work, the local lattice distortion, mechanical and thermodynamic properties of perovskites A(Zr0.2Sn0.2Ti0.2Hf0.2Nb0.2)O3 (A = Sr, Ba) are explored using the
Externí odkaz:
https://doaj.org/article/c513b5facca14f14ab1abb6c6d27fccf
Publikováno v:
Journal of Magnesium and Alloys, Vol 2, Iss 2, Pp 165-174 (2014)
Theoretical study of structural stability and elastic properties of α- and β-MgPd3 intermetallic compounds as well as their hydrides have been carried out based on density functional theory. The results indicate α-MgPd3 is more stable than β phas
Externí odkaz:
https://doaj.org/article/776a301e72e44cca9ee0219fecdc2d94
Publikováno v:
Ceramics International. 48:35353-35364
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aecd32e3b528d74e91f3b4b284e40952
https://doi.org/10.1016/j.ceramint.2022.08.137
https://doi.org/10.1016/j.ceramint.2022.08.137
Publikováno v:
Chinese Journal of Chemical Engineering. 40:315-322
The thermodynamic properties of MgCaSi and its mother phase Ca2Si are comparatively investigated from ab initio calculations and quasi-harmonic Debye-Gruneisen model. At 0 K, MgCaSi is more thermodynamically stable. Under high temperature, the advant
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cc492d98d745e52bc36000eb15dd0e2f
https://doi.org/10.1016/j.cjche.2020.11.033
https://doi.org/10.1016/j.cjche.2020.11.033
Publikováno v:
Journal of Alloys and Compounds. 954:170205
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2114e666b075fc20aa8719eb6189a765
https://doi.org/10.1016/j.jallcom.2023.170205
https://doi.org/10.1016/j.jallcom.2023.170205
Publikováno v:
Ceramics International. 46:15104-15112
The elastic and thermodynamic properties of novel high entropy carbide (HfTaZrTi)C and (HfTaZrNb)C are studied within density functional theory framework, adopting special quasi-random structure to model the chemical disorder of high entropy compound
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cfb2abdd6304735927c765eda7f60be8
https://doi.org/10.1016/j.ceramint.2020.03.045
https://doi.org/10.1016/j.ceramint.2020.03.045
Publikováno v:
Applied Physics A. 127
Ternary alloy ZrHfTi is a novel hexagonal close-packed medium entropy material. As a fundamental parameter for understanding the deformation behavior and mechanical property especially ductility, the stacking fault energy (SFE) of basal plane for ZrH
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5bd21913fdf11bba8a3fadaf29e2bbff
https://doi.org/10.1007/s00339-021-04835-9
https://doi.org/10.1007/s00339-021-04835-9
Publikováno v:
Journal of Chemical Research. 44:50-59
The structural, elastic, and electronic properties of multi-performance ternary phase MgCaSi have been investigated by density functional theory. The present results show that MgCaSi is thermodynamically and mechanically stable. The derived elastic c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8eafb51eb626e60b04e7b1d6ee8b1dd9
https://doi.org/10.1177/1747519819885479
https://doi.org/10.1177/1747519819885479