Mobility of low-angle grain boundaries in pure metals

The mobility of low-angle grain boundaries in pure metals is reviewed and several theoretical treatments are provided. The approach that provides the best agreement with the available experimental data is one in which the mobility is controlled by vacancy diffusion through the bulk to (and from) the dislocations that comprise the boundary that are bowing out between pinning points. The pinning points are presumed to be extrinsic dislocations swept into the boundaries or grown in during the prior processing of the material. This approach yields a mobility that is constant with respect to misorientation angle, up to the transition to the high-angle regime. For small misorientations of the order 1°, however, the mobility appears to increase with decreasing misorientation angle.     

Positron annihilation in vacancies at grain boundaries in metals

The behavior of vacancies in selected coherent grain boundaries (GBs) in Fe and Ni is studied by means of molecular dynamics simulations. Corresponding positron lifetimes are calculated using the atomic superposition method. There is a difference between the vacancy behavior in Fe and Ni in dependence on temperature. In Ni, vacancies at GBs appear to diminish substantially their free volume (and lifetime) with the increasing temperature, which can be attributed to ‘vacancy delocalization’. Contrary, GB vacancies remain stable up to apparently higher temperatures in Fe.     

Emission of partial dislocations by grain boundaries in nanocrystalline metals

A theoretical model is proposed to describe the emission of partial dislocations by grain boundaries in nanocrystalline materials during plastic deformation. Partial dislocations are assumed to be emitted during the motion of grain-boundary disclinations, which are carriers of rotational plastic deformation. The ranges of the parameters of a defect structure in which the emission of partial dislocations by grain boundaries in nanocrystalline metals are energetically favorable are calculated. It is shown that, as the size of a grain decreases, the emission of partial dislocations by its boundary becomes more favorable as compared to the emission of perfect lattice dislocations.     

Integration of impurities with large-angle grain boundaries in d-transition metals

The approximation of the liquid model of grain boundaries is used to calculate the bonding energy F of carbon and oxygen interstitial impurities with largeangle grain boundaries in d-transition metals and impurities of d-transition metals in group VIA elements: chromium, molybdenum, and tungsten. It is shown that in the case of interstitial impurities as well as substitutional impurities in d-transition metals the bonding energy is determined by the characteristics of the d-band occupation.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 4, pp. 70–75, April, 1979.     

Oscillations of the density of atoms in the vicinity of symmetrical grain boundaries in metals

Oscillatory atomic relaxation in symmetrical grain boundaries in metals is investigated by molecular-dynamics methods. It is found that the density of atoms varies nonmonotonically in various metastable grain boundaries and that the amplitude, period, and character of damping of the oscillations are virtually the same in these boundaries. A continuum model is proposed for surface layer deformation produced by linear distributed forces and is shown to adequately describe oscillatory grain-boundary relaxation.     

Computer simulation of symmetrical tilt grain boundaries in noble metals with MAEAM

This paper reports that an atomic scale study of [\bar {1}10] symmetrical tilt grain boundary (STGB) has been made with modified analytical embedded atom method (MAEAM) for 44 planes in three noble metals Au, Ag and Cu. For each metal, the energies of two crystals ideally joined together are unrealistically high due to very short distance between atoms near the grain boundary (GB) plane. A relative slide between grains in the GB plane results in a significant decrease in GB energy and a minimum value is obtained at specific translation distance. The minimum energy of Cu is much higher than that of Ag and Au, while the minimum energy of Ag is slightly higher than that of Au. For all the three metals, the three lowest energies correspond to identical (111), \mbox(113) and \mbox(331) boundary successively for two translations considered; from minimization of GB energy, these boundaries should be preferable in [\bar {1}10] STGB for noble metals. This is consistent with the experimental results. In addition, the minimum energy increases with increasing reciprocal planar coincidence density \Sigma, but decreases with increasing relative interplanar distance d /a.     

Nature of high-angle grain boundaries in metals subjected to severe plastic deformation

The evolution of structural parameters of deformation fragments and dynamically recrystallized grains during severe plastic deformation in a Bridgman chamber as the number of complete revolutions in torsion at room temperature increases is analyzed using transmission electron microscopy and electron backscattered diffraction. It is found that the formation of a significant amount of high-angle grain boundaries in the structure is caused not by deformation fragmentation but by the low temperature dynamic recrystallization.     

High-temperature measurements of surface tension of metals in vacuum

The following problems arising in measurements of the surface tension of metals in vacuum are considered: contamination of the sample surface with impurities leaving the sample bulk upon annealing and adsorption of vapors of heating elements, systematic errors resulting from the pinch effect, and vibrations arising in vacuum systems.     

Estimating critical surface tension from droplet spreading area

Critical surface tension (CST) is a measure of solid surface tension and is mainly determined by measuring the contact angle of a droplet on a target solid surface. The concept of CST makes it possible to determine solid surface tension without any unprovable assumptions such as the Fowkes hypothesis. However, it requires somewhat special devices and skills for measuring the contact angle. In this work, we propose a simple method to determine the CST of a solid by measuring the droplet spreading area. This method is developed by combining the conventional CST with a simple analytical droplet model. The difference in estimated CSTs between our method and the conventional one is within 3.0%. Our method enables a quick and simple evaluation of the solid surface tension without special devices for measuring the contact angle.     

用毛细管测量纯水表面张力系数的误差讨论

通过用毛细管测量纯水表面张力系数实验，得到管内径d与接触角θ的相对误差之间的关系曲线，由此说明实验测得的表面张力系数α和理论公式相比呈现一定的偏差，并简单地讨论了实验的理想状态与实际情况的差别．     

延性金属层裂强度对温度、晶粒尺寸和加载应变率的依赖特性及其物理建模

层裂强度表征了材料内部最大动态抗拉能力,并与材料本身的力学性质以及损伤早期演化相关.建立层裂强度计算的解析表达式,深入认识层裂强度所包含的微细观物理涵义,有利于更好地优化延性金属材料的层裂强度.目前大量的实验表明:延性金属材料的层裂强度对加载拉伸应变率、温度效应以及材料初始微细观结构具有很强的依赖关系.本文基于对孔洞成核与增长的损伤早期演化特性的分析,以及对温度效应和晶粒尺寸与材料本身力学性质之间关系的分析,给出了简单、实用的层裂强度的解析物理模型,物理模型的计算结果与典型延性金属高纯铝、铜和钽的层裂强度实验结果基本符合,从而验证了我们给出的层裂强度模型具有较好的适用性和预测性.     

Investigation of surface properties of liquid transition metals: Surface tension and surface entropy

In the present study, surface properties namely surface tension and surface entropy of liquid transition metals have been reported. The surface entropy of liquid Fe, Co and Ni metals has been investigated using the expression derived by Gosh et al. [R.C. Gosh, A.Z. Ziauddin Ahmed, G.M. Bhuiyan, Eur. Phys. J. B 56 (2007) 177]. To describe interionic interaction the pseudopotential approach has been used and radial distribution functions have been determined from the solution of Ornstein-Zernike integral equation. The calculated values of surface tension and surface entropy agree well with experiment. The present study shows that the expression derived by Gosh et al. leads to a good estimation for the surface entropy.     

Impurity diffusion in NiO grain boundaries

The diffusion of ¹³⁹Ce and ⁵¹Cr in polycrystalline NiO has been studied in the temperature range 600–1100°C in oxygen at a pressure of 1 atm. These impurities were chosen because of their different effective charges and segregation behaviour and because of their relevance to the oxidation of metals at elevated temperature. The solubility of Ce in the NiO lattice is negligible, but Ce is soluble at NiO grain boundaries and dislocations. Consequently Ce tracer only diffused along these pathways and the resulting profiles were analysed straightforwardly to give grain boundary and dislocation diffusion coefficients. The lattice solubility of Cr, on the other hand, is not negligible and Cr also segregates strongly to NiO grain boundaries. A procedure for analysing penetration profiles of such an impurity has been developed in which parameters describing segregation and grain boundary diffusion are deduced self-consistently. When combined with previous measurements of Ni and Co diffusion it is found that grain boundary coefficients decrease in the order Co, Ni, Cr, Ce as is also found for lattice diffusion (except for Ce, which has negligible lattice solubility).The implication of the results for the distribution of Cr and Ce in NiO films formed by metal oxidation is also discussed.     

Dislocations and grain boundaries in quasicrystals

This is a brief review of the theory of topological defects in quasicrystals, within a densitywave picture.