共查询到20条相似文献,搜索用时 15 毫秒
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AbstractThe grain boundaries (GBs) present in polycrystalline materials are important with respect to materials behaviour and properties. During the transient stage of oxidation, the higher GB diffusivity results in heterogeneous oxidation structures in the form of oxide ridges that emerge along the alloy GBs. In an attempt to delve into the more fundamental aspects of the GBs, such as GB energy, the size of the oxide ridges was quantitatively measured by atomic force microscopy on the post oxidation surface of a Fe-22 wt % Cr alloy after an oxidation exposure at 800 °C in dry air. The GB diffusivity was calculated utilising the ridge size data and the relationship between the GB diffusivity and the GB characteristics was determined. Furthermore, the GB energy was calculated from the GB diffusivity data, also to make comparison with the data available in the literature. The absolute value of the calculated GB energy was quite close to the values reported in the literature. However, compared to the extremely low temperature (0 K) data-set from the literature, the data-set obtained from this study showed much less spread. The smaller variation range may be attributed to the higher temperature condition (1073 K) in this study. 相似文献
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A modified theoretical model is proposed to predict the grain boundary segregation of impurity atoms during high temperature plastic deformation. The model is based on the supersaturated vacancy-impurity complex created by plastic deformation and involves quasi-thermodynamics and kinetics. Model predictions are made for phosphorus grain boundary segregation during plastic deformation in ferrite steel. The results reveal that phosphorus segregates at grain boundaries during plastic deformation. At a given te... 相似文献
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E. Rabkin 《Interface Science》1996,3(3):219-226
The grain boundary diffusion in a binary system which exhibits a grain boundary phase transition is considered in the framework of Fisher's model. The kinetic law of the growth of the grain boundary phase and the distribution of the diffusant near the grain boundary are calculated. The method of determining of the concentration dependence of the grain boundary diffusion coefficient from the experimentally measured penetration profiles of the diffusant along the grain boundaries is suggested. The experimental results on Zn diffusion in Fe(Si) bicrystals, Ni diffusion in Cu bicrystals and grain boundary grooving in Al in the presence of liquid In are discussed in light of the suggested model. 相似文献
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The effect of solid-solution alloying on grain boundary sliding (GBS) was investigated using pure magnesium and six kinds of Mg–X (X?=?Ag, Al, Li, Pb, Y and Zn) dilute binary solid solutions with an average grain size of 10?µm. A sharp increase in damping capacity caused by GBS was observed above a certain temperature. The temperature at which a sharp increase in damping capacity occurred depended on the alloying element. The addition of Y and Ag markedly increased the onset temperature (more than 100?K) for a sharp increase in damping capacity, whereas the addition of Zn, Al and Li slightly increased the onset temperature (less than 50?K) as compared with that for pure magnesium. Tensile tests at a temperature of 423?K revealed that the higher the onset temperature, the lower the strain rate sensitivity of the flow stress. It is suggested that the former elements (Y and Ag) are more effective in suppressing GBS in magnesium alloys than the latter ones (Zn, Al and Li). The suppression of GBS was associated with low grain boundary energy, and the extent to which the energy is reduced depended on the alloying element. It was suggested that the change in the lattice parameter (the so-called c/a ratio) affects the grain boundary energy, and thus, the occurrence of GBS. 相似文献
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Knowledge of the limits of the principal Harrison kinetics regimes (Types A, B and C) for grain boundary diffusion is very important for the correct analysis of depth profiles in a tracer diffusion experiment. These regimes for self‐diffusion have been extensively studied in the past by making use of the phenomenological lattice Monte Carlo (LMC) method with the result that the limits are now well established. However, the relationship of these self‐diffusion limits to the corresponding ones for solute diffusion in the presence of solute segregation to the grain boundaries remains unclear. In the present study, the influence of solute segregation on the limits was investigated with the LMC method for the well‐known parallel grain boundary slab model by showing the equivalence of two diffusion models. It is shown which diffusion parameters are useful for identifying the limits of the Harrison kinetics regimes for solute grain boundary diffusion. It is also shown how the measured segregation factor from the diffusion experiment in the Harrison Type‐B kinetics regime may differ from the global segregation factor. 相似文献
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在镍基单晶超合金中,由于单晶Ni的晶格常数比单晶Ni3Al的稍小,在Ni/Ni3Al晶界面 上必然要出现错配.采用分子动力学模拟了镍基单晶超合金的Ni/Ni3Al晶界的结 构,考虑 了两个不同的初始模型,并进行了分子动力学弛豫.弛豫的结果均表明:由于晶格的差异形 成的错配能不是通过长程晶格错配的方式来释放,而是通过在局部区域形成位错的方式释放 的.由于Ni3Al相周围Ni相环境的不同,形成的位错也有所不同.
关键词:
镍基单晶超合金
晶界
分子动力学模拟 相似文献
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Wetting of 975 grain boundaries (GB's) by liquid Cu in an iron-based alloy has been studied as a function of the five macroscopic degrees of freedom (DoF's) of grain boundary character. In addition, models of GB energy in terms of all five DoF's, and of anisotropic solid-liquid interfacial energy have been developed. The experimentally observed wetting behavior is interpreted in terms of the model, and it is shown that reasonable overall agreement is obtained between experimental results and model predictions. 相似文献
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The pressure effect on grain boundary wetting in Fe-6 at.%Si bicrystals of different misorientation angles but constant misorientation axis has been studied. The wetting agent was liquid zinc. It was found that the pressure for the dewetting transition is higher for the near 5 boundary than for the other general boundaries, where is the inverse density of the coincidence sites in the two misoriented crystal lattices. This result was explained assuming a thinner liquid film wetting the near 5 boundary than in the case of nonperiodic grain boundaries. Furthermore, the wetting angle increased with increasing pressure. The wetting angle dependence on pressure could be understood assuming a excess surface volume of the solid/liquid (S/L) interface higher than 0.2 nm. This is considerably higher than the estimated excess volumes of grain boundaries based on computer simulations. To explain this result, it was postulated that in the system studied, where diffusion of Zn, Fe and Si perpendicular to the S/L interface takes place, the S/L interface is relatively thick and the interaction between the two crystals separated by the melt extends over more than 2 nm distance. This long-range interaction was rationalized in terms of clusters of several atoms, detaching from the solid and dissolving in the melt at some distance from the bulk. 相似文献
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Stefan Bringuier Venkateswara Rao Manga Keith Runge Pierre Deymier Krishna Muralidharan 《哲学杂志》2015,95(36):4118-4129
The mechanical response of symmetric tilt grain boundaries (GBs) in silicon bicrystals under shear loading are characterized using molecular dynamics simulations. It is seen that under shear, high-angle GBs namely Σ5 and Σ13 having a rotation axis [0 0 1] demonstrate coupled GB motion, such that the displacement of grains parallel to the GB interface is accompanied by normal GB motion. An atomic-scale characterization revealed that concerted rotations of silicon tetrahedra within the GB are the primary mechanisms leading to the coupled GB motion. Interestingly, so far, this phenomenon has only been examined in detail for metallic systems. A distinguishing feature of the coupled GB motion observed for the silicon symmetric tilt bicrystals as compared to metallic bicrystals is the fact that in the absence of shear, spontaneous coupled motion is not observed at high temperatures. 相似文献
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用嵌入位错线法和重合位置点阵法构建含有小角度和大角度倾斜角的双晶氧化锌纳米结构.用非平衡分子动力学方法模拟双晶氧化锌在不同倾斜角度下的晶界能、卡皮查热阻,并研究了样本长度和温度对卡皮查热阻和热导率的影响.模拟结果表明,晶界能在小角度区域随倾斜角线性增加,而在大角度区域达到稳定,与卡皮查热阻的变化趋势一致.热导率随样本长度的增加而增加,卡皮查热阻表现出相反的趋势.然而随着温度的增加,热导率和卡皮查热阻都减小.通过比较含5.45°和38.94°晶界样本的声子态密度,发现声子光学支对热传导的影响不大,主要由声子声学支贡献,大角度晶界对声子散射作用更强,声学支波峰向低频率移动. 相似文献
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A theory of diffusion induced grain boundary migration (DIGM) is presented for high temperatures where volume diffusion of solute atoms out of the grain boundary is important. It is shown that due to the presence of a gradient term in the expression for the free energy of solid solution, even a relatively small discontinuity in the solute distribution across the gain boundary provides enough driving force for grain boundary migration. From the expression obtained for the grain boundary velocity the coefficient for the Ni diffusion across the grain boundaries in a Cu(Ni) polycrystal has been estimated. 相似文献
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Grain boundary extra free volume (GB EFV) can be considered as fundamental microstructural parameter for polycrystalline or nano-crystalline materials. Here, we present a systematic first principles study on a group of representative symmetric tilt grain boundaries of Al with various EFVs subjected to vacancy formation and Mg segregation. All grain boundaries were constructed using the coincident site lattice (CSL) and the structural unit (SU) models. It was found that the SU model is superior to the CSL in describing FCC-Al GBs, the same as we previously revealed for BCC-Fe. The predicted relation between GB misorientation angle and EFV, and the predicted EFV criteria for a stable GB, both agree with available experimental observations. Vacancy formation and Mg segregation show stronger preference to those GBs with high EFV values, due to the resultant high levels of atomic disorder. These findings not only provide a new, atomistic perspective on the significance of EFV, but also suggest a viable means of predicting GB properties based on direct experimental characterisation of GB EFVs. 相似文献
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The contact angle at the intersection of a grain boundary in Al bicrystals with the solid Al/liquid Al–Sn interphase boundary has been measured for two symmetric tilt <011> {001} grain boundaries with tilt angles of 32° and 38.5°. The temperature dependencies (T) present the evidence of the grain boundary wetting phase transition at Tw. The observed hysteresis is consistent with the assumption that the wetting transition is of first order. The determined discontinuity in the temperature derivative of the grain boundary energy is–5.6 J/m2K (T
w1=617°C) for the boundary with a low energy (=38.5°) and –17 J/m2K (T
w2=604°C) for the grain boundary with a high energy (=32°). 相似文献
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Segregation of alloying atoms at a tilt symmetric grain boundary in tungsten and their strengthening and embrittling effects 下载免费PDF全文
We investigate the segregation behavior of alloying atoms (Sr, Th, In, Cd, Ag, Sc, Au, Zn, Cu, Mn, Cr, and Ti) near Z3 ( 111 ) [1]-0] tilt symmetric grain boundary (GB) in tungsten and their effects on the intergranular embrittlement by performing first-principles calculations. The calculated segregation energies suggest that Ag, Au, Cd, In, Sc, Sr, Th, and Ti prefer to occupy the site in the mirror plane of the GB, while Cu, Cr, Mn, and Zn intend to locate at the first layer nearby the GB core. The calculated strengthening energies predict Sr, Th, In, Cd, Ag, Sc, Au, Ti, and Zn act as embrittlers while Cu, Cr, and Mn act as cohesion enhancers. The correlation of the alloying atom's metal radius with strengthening energy is strong enough to predict the strengthening and embrittling behavior of alloying atoms; that is, the alloying atom with larger metal radius than W acts as an embrittler and the one with smaller metal radius acts as a cohesion enhancer. 相似文献
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Fukuji Inoko Tatsuya Okada Toshinori Muraga Yoko Nakano Takashi Yoshikawa 《Interface Science》1997,4(3-4):263-272
In bulk bicrystals strain induced grain boundary premelting (SIGBPM) occurs when heavy screw dislocation pileup can be held up to a certain high temperature, approximately 0.6T
M, where T
M is the melting point of bulk material in Kelvin. SIGBPM occurs at grain boundaries to which new twist component is added due to the rotation of both component crystals toward opposite direction about the axis perpendicular to the grain boundary plane. At the original grain boundary, grain boundary sliding takes place due to this relative rotation. In f.c.c. metals with relatively low stacking fault energies such as copper, nickel, brass(30Zn) and silver, dislocations dissociate into partials. Therefore high density tangled dislocations introduced during plastic deformation hardly loose. If these dislocations can be held to high temperatures, SIGBPM is promoted. Formation of static or dynamic recrystallized grains suppresses SIGBPM itself and the propagation of grain boundary cracks formed by SIGBPM. 相似文献