Grain-boundary dislocation climb and diffusion in nanocrystalline solids

The effect of grain-boundary dislocation transformations on diffusion in nanocrystalline solids is discussed. A theoretical model describing the enhancement of diffusion processes associated with the climb of grain-boundary dislocations in nanocrystalline solids is developed.     

Grain-boundary diffusion in nanocrystals with a time-dependent diffusion coefficient

A solution to the equation of grain-boundary diffusion is obtained under conditions where migration of the diffusant from the boundaries into the grains is absent and the diffusion coefficient decreases with time from an increased value to a value characteristic of equilibrium grain boundaries. The specific features of the grain-boundary diffusion in nanocrystals are qualitatively analyzed in terms of this solution.     

Grain-boundary diffusion of oxygen in polycrystalline ferrites

It is shown that layer-by-layer measurements of the electron-transfer activation energy in polycrystalline ferrites allow the profiles of depth distribution of oxygen introduced from the atmosphere into a ferrite at the stage of sintering or thermal treatment to be studied using a simple experimental technique. The analytical equations proposed here make it possible to determine the volume and grain-boundary diffusion coefficients of oxygen using a minimum number of adjustable parameters. Tomsk Polytechnic University. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 5, pp. 64–69, May, 1999.     

Grain-boundary diffusion and solubility of helium in submicrocrystalline palladium

The diffusion and solubility of helium in palladium with a submicrocrystalline structure are investigated by thermal desorption of helium from He-saturated specimens at temperatures T = 293–508 K and saturation pressures P = 0.1–35 MPa. As the saturation pressure rises, the effective diffusion coefficient increases, exhibits a plateau, and then decreases to its initial value. Along with the four plateaus discovered earlier, the solubility versus saturation pressure dependence in the range 25.5–35.0 MPa demonstrates a fifth plateau, where the solubility is as high as (3.0 ± 0.4) × 10¹⁷ cm⁻³. It is shown that the helium diffuses along grain boundaries, at which clusters (traps) consisting of eight to ten vacancies are localized, and dissolves in these clusters. The high value of C _eff in the fifth plateau is explained by pairwise merging of adjacent vacancy clusters. From the D _eff(P) dependences, the vacancy clusters concentration is estimated as C* = 2.32 × 10¹⁶ cm⁻³. Within the experimental error, this value coincides with that obtained from the solubility data. Calculations of the energy of helium-defect interaction in submicrocrystalline Pd that are made using the molecular dynamics method support the experimental results.     

Grain-boundary sliding in elongated microstructures during diffusion creep

In diffusion creep, the contribution of grain-boundary sliding to the overall strain os can be evaluated in arbitrary polycrystals, if the angular distribution of grain boundaries is known. A os value of 0.5 is obtained for two-dimensional (2D) equiaxed microstructures consisting of regular hexagonal grains, equiaxed grains grown from a Voronoi structure or grains having a circular distribution of grain-boundary angles. The os value is also evaluated for uniaxially deformed 2D microstructures, both diffusionally and uniformly deformed. For the former, the deformed microstructure is obtained by the simulation of microstructural evolution in polycrystals with straight grain boundaries. The os value increases gradually with increasing or decreasing strain and is larger in the diffusionally deformed microstructures than in the uniformly deformed microstructures for a given grain aspect ratio. The os value for three-dimensional (3D) polycrystalline microstructures is also obtained from an ellipsoidal distribution of grain-boundary angles. The resultant os value is 0.60 for 3D equiaxed polycrystals and increases gradually with increasing strain.     

Grain-boundary scattering and surface plasmon attenuation in noble metal films

It is shown how grain-boundary and not surface scattering may explain the large range in values found for the attenuation coefficient of surface plasmons propogating on thin noble metal films.     

Yield stress of nanocrystalline materials: role of grain-boundary dislocations,triple junctions and Coble creep

A theoretical model is suggested which describes the strengthening of nanocrystalline materials due to the effects of triple junctions of grain boundaries as obstacles for grain-boundary sliding. In the framework of the model, a dependence of the yield stress characterizing grain-boundary sliding on grain size and triple-junction angles is revealed. With this dependence we have found that, in as-fabricated nanocrystalline materials, the yield stress depends upon a competition between conventional dislocation slip and grain-boundary sliding. On the other hand, yield stress dependence on grain size in heat-treated nanocrystalline materials is described as that caused by a competition between conventional dislocation slip and Coble creep. Grain-size and triple-junction angle distributions are incorporated into the consideration to account for distributions of grain size and triple-junction angles, occurring in real specimens. The results of the model are compared with experimental data from as-fabricated and heat-treated nanocrystalline materials and shown to be in good agreement.     

Muon diffusion in nanocrystalline copper

A systematic μSR study on nano‐Cu has demonstrated that the diffusion of μ⁺ in nanocrystalline metals is influenced by both features of the nanostructure, i.e., by the very small grain size and by the comparatively large fraction of grain boundaries. The former feature yields a size effect of the phonon‐assisted muon tunneling, but only at particle diameters below 20 nm. The latter feature, in samples with crystallite sizes above 20 nm diameter, i.e., with bulk diffusional behaviour, establishes a connection between μ⁺ diffusion coefficient and particle size: if one of these quantities is known, the other could be evaluated. This revised version was published online in August 2006 with corrections to the Cover Date.     

Pr基大块纳米晶合金及其特性研究

研究了Pr₆₀Al₁₀Ni₁₀Cu₂₀ 大块金属玻璃 的结构和磁性随Fe含量 的变化关系，结果表明Pr基合金逐步从玻璃状态，转变为非晶与纳米晶的复合状态，最后成 为纳米晶合金，Pr基合金的磁性也相应地发生变化.提出了一种通过对大块稀土基金属玻璃 进行Fe掺杂，制备出微观结构和性能具有可调控性的大块纳米晶合金的方法, 并讨论了纳米 晶结构和性能的关系. 关键词： 金属玻璃 大块纳米晶 掺杂     

Numerical study of grain boundary diffusion in nanocrystalline ionic materials including blocking space charges

Diffusion in two grain boundary networks (parallel boundaries and square grains) was considered in order to analyze the effects of space charge layers on diffusion profiles. The space charge zones are supposed to be depleted of mobile charge carriers, leading to a blocking of transport of diffusing species. The finite element method was used to numerically calculate the concentration distribution and the corresponding integrated diffusion profiles. The accuracy of determining the grain boundary diffusivity from the simulated profiles, applying conventional equations was estimated. Blocking space charge layers lead to a possible overestimation of the grain boundary diffusivity in the type-B kinetic regime. Moreover, they lead to a significant shifting of kinetic regimes and extremely large diffusion times should be used to reduce errors, when determining the grain boundary diffusivity in the type-A regime.     

Advances in amorphous and nanocrystalline materials

A new amorphous alloy has been recently introduced which shows a saturation magnetic induction B_s of 1.64 T which is compared with B_s=1.57 T for a currently available Fe-based amorphous alloy and decreased magnetic losses. Such a combination is rare but can be explained in terms of induced magnetic anisotropy being reduced by the alloy's chemistry and its heat treatment. It has been found that the region of magnetization rotation in the new alloy is considerably narrowed, resulting in reduced exciting power in the magnetic devices utilizing the material. Efforts to increase B_s also have been made for nanocrystalline alloys. For example, a nanocrystalline alloy having a composition of Fe_80.5Cu_1.5Si₄B₁₄ shows B_s exceeding 1.8 T. The iron loss at 50 Hz and at 1.6 T induction in a toroidal core of this material is 0.46 W/kg which is 2/3 that of a grain-oriented silicon steel. At 20 kHz/0.2 T excitation, the iron loss is about 60% of that in an Fe-based amorphous alloy which is widely used in power electronics. Another example is a Fe₈₅Si₂B₈P₄Cu₁ nanocrystalline alloy with a B_s of 1.8 T, which is reported to exhibit a magnetic core loss of about 0.2 W/kg at 50 Hz and at 1.5 T induction. This article is a review of these new developments and their impacts on energy efficient magnetic devices.     

Magnetism in nanocrystalline SiC films

Magnetism been studied in two series of nanocrystalline SiC films obtained by the method of direct deposition of ions with an energy of ~100 eV at temperatures 1150 °С and 1200 °С. There were separated the contributions of diamagnetism, paramagnetism and superparamagnetism+ferromagnetism. Magnetization value of the films correlates with the deposition temperature. In the films deposited at higher temperatures the value of magnetization was by 1.5 times lower. It was concluded that induced magnetism in nanocrystalline SiC films is caused by interaction of magnetic moments of neutral V_SiV_C divacancies in separate nanocrystals. The estimated concentration of neutral V_SiV_C divacancies in nanocrystalline SiC films is ~10²⁰ сm⁻³.     

Photothermal methods for determination of thermal properties of bulk materials and thin films

Information on the thermal properties of materials is very important both in fundamental physical research and in engineering applications. The development of materials with desirable heat transport properties requires methods for their experimental determination. In this paper basic concepts of the measurement of parameters describing the heat transport in solids are discussed. Attention is paid to methods utilizing nonstationary temperature fields, especially to photothermal methods in which the temperature disturbance in the investigated sample is generated through light absorption. Exemplary photothermal measuring techniques, which can be realized using common experimental equipment, are described in detail. It is shown that using these techniques it is possible to determine the thermal diffusivity of bulk transparent samples, opaque and semi-transparent plate-form samples, and the thermal conductivity of thin films deposited on thick substrates. Results of the investigation of thermal diffusivity of the ground in the polar region, which is based on the analysis of the propagation of the thermal wave generated by sun-light, are also presented. Based on chosen examples one can state that photothermal techniques can be used for determination of the thermal properties of very different materials.     

Characterization of doped hydrogenated nanocrystalline silicon films prepared by plasma enhanced chemical vapour deposition

The B- and P-doped hydrogenated nanocrystalline silicon films (nc-Si\jz{0.2ex}{:}H) are prepared by plasma-enhanced chemical vapour deposition (PECVD). The microstructures of doped nc-Si\jz{0.2ex}{:}H films are carefully and systematically characterized by using high resolution electron microscopy (HREM), Raman scattering, x-ray diffraction (XRD), Auger electron spectroscopy (AES), and resonant nucleus reaction (RNR). The results show that as the doping concentration of PH₃ increases, the average grain size (d) tends to decrease and the crystalline volume percentage (X_c) increases simultaneously. For the B-doped samples, as the doping concentration of B₂H\xj{6} increases, no obvious change in the value of d is observed, but the value of X_c is found to decrease. This is especially apparent in the case of heavy B₂H₂ doped samples, where the films change from nanocrystalline to amorphous.     

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.     

Advances in amorphous and nanocrystalline magnetic materials

Recent advances made in the area of amorphous and nanocrystalline alloys exhibiting high saturation inductions are reviewed. A new chemical composition was identified that achieves a saturation induction of 1.64 T in an iron-based amorphous alloy. This alloy, when used in electrical transformers, shows a much improved performance over the existing amorphous alloy. Nanocrystalline FeCoCuNbSiB alloys are found to have saturation induction levels reaching 1.7 T. These materials are suited for use in sensors and inductors carrying large currents. Some of these nanocrystalline alloys show a BH squareness ratio exceeding 90%, which can be utilized in pulse power devices. Recent developments in the applications of these materials are also pointed out.     

Transient thermal gratings at surfaces for thermal characterization of bulk materials and thin films

Transient Thermal Gratings (TTGs) at surfaces of absorbing materials have been utilized for investigating heat diffusion in bulk materials and thin films. In this report, we describe the theoretical background of the technique and present experimental data. TTGs were excited in the surface plane by interference of two pulsed laser beams and monitored by a cw probe beam, either via temperature dependence of the reflectivity or by deflection from the displacement pattern. A theoretical model describing the thermal and thermoelastic surface response was developed, both for a homogeneous material and a multilayer structure. The potential of the technique will be demonstrated by experimental results on (i) thermal diffusivities of bulk materials, (ii) anisotropic lateral heat transport, and (iii) thermal diffusivities of metal and diamond films. Furthermore, we will show that TTGs allow thermal depth profiling of inhomogeneous materials whenever there is a vertical gradient in thermal conductivity.