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  • Open Access


    Phase-Field Simulation of δ Hydride Precipitation with Interfacial Anisotropy

    Hailong Nie1, Xincheng Shi1, Wenkui Yang1, Kaile Wang1, Yuhong Zhao2,1,3,*

    CMC-Computers, Materials & Continua, Vol.77, No.2, pp. 1425-1443, 2023, DOI:10.32604/cmc.2023.044510

    Abstract Previous studies of hydride in zirconium alloys have mainly assumed an isotropic interface. In practice, the difference in crystal structure at the interface between the matrix phase and the precipitate phase results in an anisotropic interface. With the purpose of probing the real evolution of hydrides, this paper couples an anisotropy function in the interfacial energy and interfacial mobility. The influence of anisotropic interfacial energy and interfacial mobility on the morphology of hydride precipitation was investigated using the phase-field method. The results show that the isotropy hydride precipitates a slate-like morphology, and the anisotropic hydride precipitates at the semi-coherent and… More >

  • Open Access


    Molecular Dynamics Simulations of Displacement Cascade near Precipitate in Zirconium Alloys

    Xin Wang1,*, H. Fan1

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.25, No.2, pp. 1-1, 2023, DOI:10.32604/icces.2023.09986

    Abstract Precipitates play an important role in the evolution of irradiation-induced defects and mechanical property of irradiated metals. In this work, the effects of a Zr2Cu precipitate on the production and subsequent evolution of cascade-induced point defects (vacancies and interstitials) in ZrCu alloy were investigated by molecular dynamics simulations at room temperature. The simulation results show that the precipitate increases the number of residual point defects at the end of cascade. However, most of the residual defects reside in the precipitate and near precipitate boundary. In the matrix, more interstitials survive than vacancies. In addition, a defect-free region is seen in… More >

  • Open Access


    Formation of Stacking Fault Pyramid in Zirconium

    Yan liu1, Chuanlong Xu1, Xiaobao Tian1, Wentao Jiang1, Qingyuan Wang1, Haidong Fan1,*

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.25, No.2, pp. 1-1, 2023, DOI:10.32604/icces.2023.09982

    Abstract Zirconium alloys were widely used as fuel cladding in nuclear reactors. Stacking fault pyramid (SFP) is an irradiation-induced defect in zirconium. In this work, the formation process of SFP from a hexagonal vacancy plate on basal plane is studied by molecular dynamics (MD) simulations. The results show that, during the SFP formation from a basal vacancy plate, the dislocation is firstly dissociated into two partial dislocations and . The former one resides on the basal plane, while the latter one glides on the first-order pyramidal plane. The partials on adjacent pyramidal planes… More >

  • Open Access


    A Novel Bio-Based Zirconium Phosphonate as a Flame Retardant and Smoke Suppressant for Epoxy Resin

    Xianling Fu#, Hongliang Ding#, Xin Wang*, Lei Song, Yuan Hu*

    Journal of Renewable Materials, Vol.10, No.9, pp. 2303-2317, 2022, DOI:10.32604/jrm.2022.020759

    Abstract Although epoxy resin has been widely used in various fields, it still suffers from some problems including brittleness and flammability. In this study, a new phosphonic acid, N, N-bis(phosphomethyl) glycine (GDMP), was prepared by Mannich reaction with bio-based glycine and then a novel layered zirconium phosphonate (ZrGDMP) was synthesized using GDMP and zirconyl chloride hydrate as reactants. The chemical structure of ZrGDMP was well characterized by 1H and 31P NMR, SEM, XRD and XPS. The effect of ZrGDMP on the flame retardancy, smoke suppression, strengthening and toughening performances of the epoxy matrix was investigated and evaluated. TGA results indicated that… More > Graphic Abstract

    A Novel Bio-Based Zirconium Phosphonate as a Flame Retardant and Smoke Suppressant for Epoxy Resin

  • Open Access


    Elastoplastic Phase Field Model for Time-dependent Hydrogen Diffusion, Hydride (and Blister) Formation and Fracture Initiation in Zirconium

    San-Qiang Shi

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.20, No.2, pp. 35-36, 2011, DOI:10.3970/icces.2011.020.035

    Abstract Zirconium and its alloys are key structural materials used in the nuclear power industry. In service, these metals are susceptible to a slow corrosion process that leads to a gradual pickup of hydrogen impurities from the environment. It is well known that hydrogen impurity will be attracted to stress concentrators such as notch and crack tips. At a certain hydrogen level, a complicated pattern of hydride precipitates can develop around these stress concentrators. Because of the brittleness of these hydrides, the original strength of the alloys can be reduced by orders of magnitude, and the fracture through these hydrides may… More >

  • Open Access


    Micromechanics of Hydride Formation and Cracking in Zirconium Alloys

    J. Lufrano1, P. Sofronis1

    CMES-Computer Modeling in Engineering & Sciences, Vol.1, No.2, pp. 119-132, 2000, DOI:10.3970/cmes.2000.001.279

    Abstract Transient hydrogen diffusion and hydride formation coupled with material deformation are studied in Zr-2.5Nb alloys used in the pressure tubes of CANDU nuclear generating stations. The energetics of the hydride formation is revisited and the terminal solid solubility of hydrogen in solution is defined on the basis of the total elastoplastic work done on the system by the forming hydride and the external loads. Probabilistic precipitation of hydride is modeled in the neighborhood of a crack tip under mode I plane strain loading and a uniform initial hydrogen concentration below the stress free terminal solid solubility. Finite element analysis is… More >

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