New insight into the structural, hydrogen storage capacity, dehydrogenated mechanism and physical properties of Alkali metal AMAlH4 hydrides

Journal of Alloys and Compounds, Год журнала: 2025, Номер 1021, С. 179661 - 179661

Опубликована: Март 10, 2025

Язык: Английский

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Study of the Microstructure, Physical and Mechanical Properties of Zirconium Disilicide Ceramics: Synthesis, Experimental Characterization and Theoretical Calculations

Inorganic Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Апрель 3, 2025

Zirconium disilicide (ZrSi2) is often used in high-temperature applications due to its excellent mechanical properties and thermal stability. This study aims investigate the microstructure physical of ZrSi2 ceramics prepared under high-pressure (HPHT) sintering conditions. The research results show that density, Vickers hardness, fracture toughness ceramic sample reach 4.7 g/cm3, 10.547 GPa, 6.905 MPa·m1/2, respectively. It worth noting exhibits oxidation resistance starting temperature 1463 °C. experimentally measured diffusion coefficient 2.815 mm2/s, specific heat capacity 0.48 J/g·K, from which conductivity calculated be 6.354 W/m·K. first-principles calculation crystal structure has good dynamic stability, silicon atoms zirconium are connected by strong covalent bonds. At same time, obtained this experiment a uniform grain size distribution, high dislocation texture. crucial for preparation application ceramics.

Язык: Английский

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The influence of Ce element doping on the mechanical properties of ZrO2 ceramic from first-principles calculations

Solid State Ionics, Год журнала: 2025, Номер 424, С. 116865 - 116865

Опубликована: Апрель 12, 2025

Язык: Английский

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First-principles calculations of M2SB (M = Hf, Zr and Nb) under high pressure

Physics Letters A, Год журнала: 2025, Номер unknown, С. 130551 - 130551

Опубликована: Апрель 1, 2025

Язык: Английский

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