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Virtual Crystal Approximation of Pd-Ru-Zr System
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Virtual Crystal Approximation of Pd-Ru-Zr System
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National Natural Science Foundation of China (u0837601); Key Project of Yunnan on Applied Fundamental Research (2011FA026); Innovative Team of Yunnan Province based on Sino-Platinum Metals Co., Ltd. Platinum Metals New Contact Materials and Preparation Technology (2012HC027); Innovative Team of Kunming (2012-01-01-A-R-07-0005)

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    摘要:

    采用密度泛函理論中的虛擬晶體近似方法研究了Zr和Ru摻雜Pd體系的相結(jié)構(gòu)穩(wěn)定性。搭建了3種可能的虛擬晶體近似模型，并計算了體系的彈性常數(shù)正方剪切常數(shù)、體模量、剪切模量、楊氏模量、Cauchy壓力值和態(tài)密度等。計算結(jié)果表明根據(jù)正方剪切常數(shù)判斷Pd-5Ru-1Zr[T(3)]是Pd-Ru-Zr體系中最穩(wěn)定的相，根據(jù)Cauchy壓力值判斷 Pd-10Ru-1Zr[T(2)] 是硬脆相，并且具有較強(qiáng)的方向鍵，隨著Ru和Zr原子逐步替代Pd原子，體系的化學(xué)鍵強(qiáng)度和硬度逐漸增大，但是相結(jié)構(gòu)穩(wěn)定性有所降低

    Abstract:

    To enhance the wear resistance of CoCrMo alloy used as hip joints for longer service time, the W-DLC (W doped-diamond like carbon) films and Ti-DLC (Ti doped-diamond like carbon) films were prepared by a DC magnetron sputtering method combined with ion source technique. The thickness of the as-prepared films was 1.89 μm. Results show that the coated CoCrMo alloy exhibits higher wear resistance in comparison with uncoated CoCrMo one, and the friction properties of W-DLC coated CoCrMo alloy are better than those of Ti-DLC coated CoCrMo alloy. The wear rates of uncoated CoCrMo, Ti-DLC coated CoCrMo and W-DLC coated CoCrMo are 15.25×10-6, 0.76×10-6, and 0.19×10-6 mm3·m-1·N-1, respectively. Raman spectrum analysis shows that the excellent wear resistance of coated CoCrMo alloys is attributed to the graphitization of the top layer of DLC films during rubbing

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譚 笛,代明江,符文彬,林松盛,韋春貝,趙明純. Virtual Crystal Approximation of Pd-Ru-Zr System[J].稀有金屬材料與工程,2015,44(12):2976~2981.[Hu Jieqiong, Xie Ming, Yang Youcai, Zhang Jiming, Liu Manmen, Chen Yongtai. Virtual Crystal Approximation of Pd-Ru-Zr System[J]. Rare Metal Materials and Engineering,2015,44(12):2976~2981.]
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  • 收稿日期:2014-12-14
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  • 在線發(fā)布日期: 2016-08-29
  • 出版日期: 2015-12-25