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Molecular dynamics simulations of dopant effectson lattice trapping of cracks in Ni matrix 下载免费PDF全文
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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用电沉积方法从含有CrO。及少量HzSO。的电解液中制备的金属铬镀层,具有极好的反光性能及装饰性能,应用十分广泛.但长期以来,一直采用高CrO。浓度(2509·L-‘以上)、高温度(50”C以上)的工艺,加上该工艺阴极电流效率极低(10%左右)*;环境污染、材料和能源浪费严重.近年来,在改善镇铬工艺方面的研究取得了很大的进展,其中使用各种添加剂的尝试得到了一定的成效,如使用含有卤素化合物的添加剂可提高镀铝的阴极电流效率[2-1使用含稀土化合物的添加剂可以使电解液中CrO。浓度和操作温度大大降低,而阴极电流效率却有所… 相似文献