Structural, electronic, elastic and thermal properties of Cr-doped U3Si2: A DFT study

Qiao, Li; Qiu, Nianxiang; Liu, Zhen; Huang, Qing; An, Peng; Du, Shiyu

doi:10.1016/j.jnucmat.2023.154388

Cited by 1 publication

(2 citation statements)

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“…To quantitatively study the mechanical properties of the matrix and carbides of highcarbon chromium-bearing steels, the bulk modulus (B), shear modulus (G), Young's modulus (E), and Poisson's ratio (v) of the matrix and carbides were calculated based on Hooke's law [29,30] and the Voigt-Reuss-Hill model. The bulk modulus (B) reflects the ability of matter to resist bond length, while the shear modulus (G) reflects the ability of matter to resist bond angle; thus, the B/G (class) ratio is commonly used to compare the brittle plasticity of materials.…”

Section: Calculation Of Mechanical Properties Of Carbidesmentioning

confidence: 99%

“…The bulk modulus (B) reflects the ability of matter to resist bond length, while the shear modulus (G) reflects the ability of matter to resist bond angle; thus, the B/G (class) ratio is commonly used to compare the brittle plasticity of materials. A material with a B/G value less than 1.75 was considered brittle, and a material with a value greater than 1.75 was considered plastic [30]. The calculation formulas were as follows.…”

Section: Calculation Of Mechanical Properties Of Carbidesmentioning

confidence: 99%

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Effect of Carbides on Thermos-Plastic and Crack Initiation and Expansion of High-Carbon Chromium-Bearing Steel Castings

Feng,

Zeng,

et al. 2024

Metals

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The bearing steel’s high-temperature brittle zone (1250 °C–1100 °C), second brittle zone (1100 °C–950 °C), and low-temperature brittle zone (800 °C–600 °C) were determined by the reduction in area and true fracture toughness. The crack sensitivity was strongest at temperatures of 1200 °C, 1000 °C, and 600 °C, respectively. Various experimental and computational methods were used to establish the phase type, microstructure, size, and mechanical properties of carbides in bearing steel. The critical conditions for crack initiation in the matrix (FCC-Fe, FCC-Fe, and BCC-Fe)/carbides (striped Fe0.875Cr0.125C, netted Fe2.36Cr0.64C, and spherical Fe5.25Cr1.75C3) were also investigated. The values for the high-temperature brittle zone, the second brittle zone, and the low-temperature brittle zone were 13.85 MPa and 8.21 × 10−3, 4.64 MPa and 6.52 × 10−3, and 17.86 MPa and 1.86 × 10−2, respectively. These were calculated using Eshelby’s theory and ABAQUS 2021 version software. The ability of the three carbides to cause crack propagation was measured quantitatively by energy diffusion: M3C > MC > M7C3. This study analyzed the mechanism of carbide precipitation on the formation of high-temperature cracks in bearing steel casting. It also provided the critical conditions for carbide/matrix interface cracks in bearing steel continuous casting, thus providing effective support for improving the quality of bearing steel casting.

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Section: Calculation Of Mechanical Properties Of Carbidesmentioning

confidence: 99%

Section: Calculation Of Mechanical Properties Of Carbidesmentioning

confidence: 99%