NUCLEAR TECHNIQUES, Volume. 48, Issue 5, 050604(2025)
Molecular dynamics study of the influence of hydrides on the tensile properties of zirconium
Fig. 1. HCP structure Zr matrix (a) Crystal direction and X, Y, Z axis direction, (b) Initial model
Fig. 2. Different densities of hydride placed in Zr matrix (a) A layer of hydride, (b) Five layers of hydride
Fig. 3. Stress-strain curves corresponding to Zr substrates with different hydride densities
Fig. 4. Yield strength and Young's modulus of the Zr-based model correspond to different hydride densities
Fig. 5. Stress concentration and dislocation during tensile simulation with the hydride density of 154 µg·g-1 at strain 0.12 (a) Dislocation defects around the hydride, (b) Locally amplified dislocation defect regions, (c) Stress concentration around the hydride
Fig. 6. Microstructure evolution during tensile simulation with different hydride densities (a) 154 µg·g-1, (b) 308 µg·g-1, (c) 402 µg·g-1, (d) 616 µg·g-1
Fig. 7. Hydride tip stress values in tensile simulation with different hydride densities
Fig. 8. Length variation curve of dislocation line in tensile simulation with different hydride densities
Fig. 9. Dislocation evolution during the tensile simulation with the hydride density of 1 078 µg·g-1 under different strains (a) Strain is 0.09, (b) Strain is 0.12
Fig. 10. Stress cloud diagram of different hydride densities at strain 0.08 (a) 1 078 µg·g-1, (b) 1 386 µg·g-1
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Xiaoya LIU, Yan MA, Zhixin ZHANG. Molecular dynamics study of the influence of hydrides on the tensile properties of zirconium[J]. NUCLEAR TECHNIQUES, 2025, 48(5): 050604
Category: NUCLEAR ENERGY SCIENCE AND ENGINEERING
Received: Jun. 7, 2024
Accepted: --
Published Online: Jun. 26, 2025
The Author Email: Yan MA (马雁)