本文選題：鉑 + 銠��； 參考：《稀有金屬》2015年03期

【摘要】：采用密度泛函理論和虛晶近似方法對鉑銠合金系的結(jié)構(gòu)和力學(xué)性能進(jìn)行計(jì)算。給出了常用低Rh含量和鮮有相關(guān)研究報(bào)道的高Rh含量合金的晶格常數(shù)、彈性系數(shù)和體積模量(B)等。通過晶格常數(shù)計(jì)算了不同合金的密度,與實(shí)測結(jié)果基本一致。通過彈性系數(shù)和力學(xué)穩(wěn)定性判據(jù)發(fā)現(xiàn)該合金系結(jié)構(gòu)是穩(wěn)定的。計(jì)算的合金楊氏模量(E),剪切模量(G)與實(shí)驗(yàn)結(jié)果接近。隨Rh含量的增加,G,E均增加,但B,G/B和泊松比均減小。通過分析確定隨Rh含量的增加,合金的拉伸曲線變陡,延伸率變小,塑性變形難度增加�；谖诲e(cuò)應(yīng)變能的計(jì)算結(jié)果,發(fā)現(xiàn)隨著Rh含量的增加位錯(cuò)應(yīng)變能也增加,但Rh含量低于40%(質(zhì)量分?jǐn)?shù))時(shí)增速較快,高于40%后變緩,該關(guān)系與實(shí)測的Rh含量與硬度、抗拉強(qiáng)度的關(guān)系一致。通過判定材料塑脆轉(zhuǎn)變的G/B比值與Rh含量的關(guān)系,發(fā)現(xiàn)以Rh含量為40%為界,小于該值時(shí)Rh含量增加比值下降迅速,說明合金脆性增加較快,高于40%后比值減小變緩,表明合金脆性增加變緩。綜合分析后認(rèn)為隨Rh含量增加鉑銠合金的變形抗力增加、延伸率下降,脆性增加,導(dǎo)致合金塑性加工難度增大,但該變化速度為先快后慢,大致以Rh含量等于40%為界。對于低Rh含量的鉑銠合金可以進(jìn)行大變形量冷加工,而高Rh含量的鉑銠合金只有通過提高溫度,從而降低材料的G和E值才能進(jìn)行一定的塑性加工。
[Abstract]:The structure and mechanical properties of platinum-rhodium alloy system were calculated by density functional theory and virtual crystal approximation. The lattice constant, elastic coefficient and bulk modulus of high Rh content alloys with low Rh content and rarely reported in this paper are given. The density of different alloys is calculated by lattice constant, which is in good agreement with the measured results. The elastic coefficient and the criterion of mechanical stability show that the structure of the alloy system is stable. The calculated Young's modulus and shear modulus (G) are in agreement with the experimental results. With the increase of Rh content, the G / B and Poisson's ratio of BU G / B and Poisson's ratio were all increased, but both B / G / B and Poisson's ratio were decreased. The results show that with the increase of Rh content, the tensile curve of the alloy becomes steeper, the elongation becomes smaller and the plastic deformation becomes more difficult. Based on the calculated results of dislocation strain energy, it is found that with the increase of Rh content, the dislocation strain energy also increases, but when Rh content is lower than 40% (mass fraction), the growth rate of dislocation strain energy increases faster, and then slows down after 40%, which is related to the measured Rh content and hardness. The relationship between tensile strength and tensile strength is consistent. By judging the relationship between the ratio of G / B and the content of Rh, it is found that when the ratio of Rh is 40%, the increasing ratio of Rh content decreases rapidly, which indicates that the brittleness of the alloy increases more quickly, and the ratio decreases slowly when the ratio is higher than 40%. It shows that the brittleness of the alloy increases slowly. It is considered that with the increase of Rh content, the deformation resistance of Pt-Rh alloy increases, the elongation decreases and the brittleness increases, which leads to the increase of the plastic processing difficulty of the alloy. However, the change rate of the alloy is first fast and then slow, and the limit of Rh content is about 40%. The low Rh content Pt-Rh alloy can be cold-worked with large deformation, while the high Rh content Pt-Rh alloy can only reduce the G and E values of the material by increasing the temperature.
【作者單位】： 昆明理工大學(xué)材料科學(xué)與工程學(xué)院;昆明貴金屬研究所稀貴金屬綜合利用新技術(shù)國家重點(diǎn)實(shí)驗(yàn)室;
【基金】：國家自然科學(xué)基金項(xiàng)目(51267007,51461023,U0837601,51164015) 云南省自然科學(xué)基金項(xiàng)目(2010CD126,2012FB195) 云南省省院省校合作項(xiàng)目(2012IB002) 云南省創(chuàng)新團(tuán)隊(duì)項(xiàng)目(2012HC027) 昆明市創(chuàng)新團(tuán)隊(duì)項(xiàng)目(2012-01-01-A-R-07-0005)資助
【分類號】：TG146.33

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