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Molecular dynamics simulations of dopant effectson lattice trapping of cracks in Ni matrix
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Shulan Liu 《中国物理 B》2021,30(11):116107-116107
Molecular dynamic analysis was performed on pure and doped (by Re, Ru, Co or W) Ni at 300 K using the embedded-atom-method (EAM) potentials to understand the crack formation of the doped Ni matrix in the (010)[001] orientation. When Ni was doped with Re, Ru, and W, the matrix demonstrated increased lattice trapping limits and, as a result, improved the mechanical properties. Consequently, this prevented the bond breakage at the crack tips and promoted crack healing. The average atomic and surface energy values increased when Re, Ru, and W were added. Analysis of these energy increase helped us to understand the influence these elements had on the lattice trapping limits. The fracture strength of the Ni matrix at 300 K increased because of the formation of the stronger Ni-Re, Ni-Ru, and Ni-W bonds. At the same time, doping the Ni matrix with Co did not demonstrate any strengthening effects because of the formation of Co-Ni bonds, which are weaker than the Ni-Ni bonds. Out of all dopants tested in this work, Ni doping with W showed the best results. 相似文献
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PbO2—WC复合物阳极的研究 总被引:3,自引:0,他引:3
采用复合电沉积技术制备了WC微粒弥散于PbO2中的PbO2WC复合电极,研究了相结构及在H2SO4介质中阳极析氧反应的性能。结果表明,与不含WC微粒的PbO2电极比较,WC微粒改变了PbO2电沉积的方式,复合电极的结晶更为细小和致密,α-PbO2的含量更高,晶体产生了择优取向,该复合电极在0.5mol/LH2SO4溶液中阳极析氧的电催化活性提高近1倍,其化学稳定性和电化学稳定性良好。 相似文献
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Ni-WC复合电极在弱酸性介质中的析氢催化性能 总被引:10,自引:0,他引:10
复合电沉积技术可以用来获得许多具有特殊功能的表层复合材料[1].其中,用来制各具有电催化活性的表层功能复合材料,引起了人们的极大兴趣[2-4].对酸性介质中氢的析出反应,金属和合金电催化作用的研究已有不少报导[5-8],但金属基复合物电催化作用研究的报告,尚不多见.本研究工作米用复合电沉积方法制备WC微粒弥散于Ni中的复合镀层,考察了其在弱酸性介质中析氢反应的电催化性能.1实验制各Ni-WC复合电极的基础镇液组成为NiSO4·6H2O310g·L-1,NiCl2·6H2O50g·L-1,H3BO340g·L-1.所用试剂均为分析纯级,用去离子水… 相似文献
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