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First-principles prediction of structure and mechanical properties of TM5SiC2 ternary silicides
Although transition metal silicides are promising advanced functional materials, the
adjustment of strength and ductility behavior is a great challenge. It is believed that the …
adjustment of strength and ductility behavior is a great challenge. It is believed that the …
First‐principles investigation of solution mechanism of C in TM‐Si‐C matrix as the potential high‐temperature ceramics
Abstract Although the TM‐Si‐C ternary compounds are promising advanced ceramics, the
solution mechanism of C element in TM‐Si matrix is entirely unclear. In particular, the …
solution mechanism of C element in TM‐Si matrix is entirely unclear. In particular, the …
First-principles investigation of new structure, mechanical and electronic properties of Mo-based silicides
The adjustment of strength and ductility of high-temperature ceramics is still a big challenge.
Although Mo-based silicides are promising high-temperature materials, the influence of Mo …
Although Mo-based silicides are promising high-temperature materials, the influence of Mo …
Exploring the novel structure, elastic and thermodynamic properties of W3Si silicides from first-principles calculations
The first-principle calculations were selected to investigate the structure, elastic modulus,
electronic properties and thermodynamic properties of three W 3 Si cubic structures (Pm-3m …
electronic properties and thermodynamic properties of three W 3 Si cubic structures (Pm-3m …
Probing the balance between ductility and strength: transition metal silicides
The adjustment of the balance between strength and ductility is still a great challenge for
ultrahigh temperature materials. Essentially, the strength depends on the valence electron …
ultrahigh temperature materials. Essentially, the strength depends on the valence electron …
Exploration of stable stoichiometries, ground-state structures, and mechanical properties of the W–Si system
Refractory tungsten silicides have been identified as typical high-temperature structural
materials with excellent mechanical and thermal properties in various industrial applications …
materials with excellent mechanical and thermal properties in various industrial applications …
Insight into the electronic and mechanical properties of novel TMCrSi ternary silicides from first-principles calculations
Transition metal silicides (TMSis) are attractive advanced functional materials due to their
low electronic resistivity, high melting-point, excellent mechanical properties and thermal …
low electronic resistivity, high melting-point, excellent mechanical properties and thermal …
[HTML][HTML] First-principles study of structural stability and elastic properties of MgPd3 and its hydride
Theoretical study of structural stability and elastic properties of α-and β-MgPd 3 intermetallic
compounds as well as their hydrides have been carried out based on density functional …
compounds as well as their hydrides have been carried out based on density functional …
Effects of Si3N4 addition on the microstructure and mechanical properties of binderless tungsten carbides
A Nino, H Takahashi, T Sekine, S Sugiyama - International Journal of …, 2023 - Elsevier
Binderless tungsten carbide (WC) ceramics containing> 2.5 mol% Si 3 N 4 were
consolidated by resistance-heated hot-pressing over the temperature range of 1500–1700° …
consolidated by resistance-heated hot-pressing over the temperature range of 1500–1700° …
The mechanical and thermo-physical properties and electronic structures of SnS and SnSe in orthorhombic structure
X He, H Shen, W Wang, Z Wang, B Zhang… - Journal of alloys and …, 2013 - Elsevier
The mechanical, thermo-physical properties and electronic band structures of SnS and
SnSe have been calculated using density-functional theory (DFT). The elastic constants of …
SnSe have been calculated using density-functional theory (DFT). The elastic constants of …