Grain Boundary Porosity Research Articles

Two-phase model for inverse Hall–Petch effect in nanocrystalline thin film: Atomistic simulation study

This work presents two methods to improve the understanding of the mechanical behavior of nanocrystalline thin films. Firstly, a simple two-phase model is proposed to explain the inverse Hall–Petch effect. The model suggests that the nanocrystalline material consists of the grain-boundary and the grain interior with different mechanical properties. Secondly, a computational method is developed to create more realistic grain boundaries in simulations of polycrystals. Traditionally created grain boundaries by Voronoi tessellation are too dense and do not accurately reflect the reality and the experimental results. The strength of the nanocrystalline aluminum thin film is simulated using molecular dynamics. The grain size dependence of the elastic modulus, ultimate tensile stress, and engineering yield strength is demonstrated. The experimental values of modulus and strength are approximately 6 times smaller probably due to the presence of porosity in the real sample. An approach is developed to introduce porosity in the simulated samples at the grain boundaries and in the grain interior to reduce this discrepancy. The modeled value of modulus for a grain size of 40 nm without porosity is 67GPa, whereas, with 50% grain-boundary porosity and 20% intra-granular porosity it is 30GPa. For the ultimate tensile strength, we get 3GPa and 1.4GPa for samples without porosity and with porosity, respectively. The simulated values of modulus with porosity are still 4 times higher and the values of strength are about 2 times higher than the experimental ones. The amount of porosity in our method can be adjusted to fit the experimental values; however, high values of porosity cause the mechanical instability of the simulated samples.

Synthesis routes to eliminate oxide impurity segregation and their influence on intergrain connectivity in K-doped BaFe2As2 polycrystalline bulks

The poor reproducibility of intergrain critical current density Jc in Fe-based superconductors is often believed to result from uncontrolled grain boundary (GB) connectivity degraded by extrinsic factors such as the local or global impurity concentration or GB porosity or cracks. Earlier we found that Ba and K can appear as oxide impurities at GBs, along with GB-wetting FeAs. In this study, we evaluated how the sample preparation environment and purity of the starting materials influence the polycrystalline Jc in K-doped BaFe2As2 (Ba122) bulks. Using a high-performance glovebox, the oxygen and water levels were significantly reduced, eliminating traces of FeAs. Oxide impurities and Ba (or K) segregation associated with oxygen in the starting materials were significantly reduced by using high purity starting materials. This combination essentially doubled the best Jc(4.2 K) values to 2.3 × 105 at self-field and 1.6 × 104A cm−2 at 10 T and analytical scanning transmission electron microscopy showed no GB or O segregation in the best samples, but did show dark Z-contrast and distinct nanoscale porosity. Our work shows that an inert synthesis environment and high purity K and Ba do reduce current-blocking oxygen impurity and GB impurity phases, allowing deeper exploration of the role of extrinsic and intrinsic GB blocking effects in controlling the Jc of polycrystalline Ba122.

Effect of the microstructural porosity parameters on the fracture and deformation of copper during creep at 773 K

The parameters of intergranular fracture of copper during creep under tension at T = 773 K and σ = 12.5 MPa are determined, and the contribution of grain-boundary porosity to the increase in the creep rate at stage III is estimated. The increase in the creep rate is shown to occur due to the pore-induced decrease in the grain boundary area, an increase in the mobile-dislocation density, and the deformation of the material because of the formation of pores and cracks.

Phase field crystal study on the grain boundary porosity induced by the Kirkendall effect

Grain boundary (GB) porosity strongly degrades the bonding quality of interfaces and affects the physical and mechanical properties of solid polycrystalline materials. In this paper, the formation and evolution mechanisms of porosity at the grain boundary were investigated using the binary phase field crystal simulation method. Simulated results indicate that the Kirkendall effect existing in the interdiffusion of substitutional binary alloys can result in GB porosity. For the low-angle grain boundary interdiffusion system, the porosity initially forms at the isolated dislocation core, evolving from circle to irregular polygon. For the large-angle GB interdiffusion system, the porosity initially forms at the dislocation core close to the diffusion plane, and then evolves toward the dislocation cores away from the diffusion plane. The porosities finally connect as a continuous slit that splits up the GB. The results also show that the diffusion of fast diffusers along the GB is obviously enhanced with the mobility ratio of species A and B increasing. Our simulation results agree well with theoretical and experimental results.

Effect of the intermediate action of hydrostatic pressure on the high-temperature creep and durability of copper

The intermediate action of hydrostatic pressure on the high-temperature creep of copper is studied at various creep stages. Tests performed at a constant tensile stress of 12.5 MPa at 773 K show that the application of a pressure at the creep third stage decreases the steady-state creep rate and extends the time to failure. At the steady-state stage of creep, the effect of the pressure may be ignored. At pressures of up to 1 GPa, this effect is found to be only related to healing of grain-boundary porosity. At higher pressures, the steady-state creep rate is governed by porosity healing and structural changes.

Non-uniform hydrogen attack cavitation and the role of interaction with creep

Hydrogen attack (HA) is the development of grain-boundary porosity by cavities filled with high-pressure methane that originates from the reaction of carbides with hydrogen at high temperatures. The cavities grow by grain-boundary diffusion and by creep of the adjacent grain material till they coalesce with neighbouring cavities to form a microcrack. Earlier work on HA has focussed on unit cells containing a single cavity, using average cavitation properties. Here, non-uniform cavitation properties on the grain-size scale are assumed in a polycrystalline aggregate, and unit cell analyses are performed to investigate the influence of the adjacent grains on the development of the grain-boundary HA. The numerical results are explained in terms of two simplified models which highlight the key parameters governing the grain deformation-grain boundary cavitation interaction process.

Evolution of pore microstructures during healing of grain boundaries in synthetic calcite rocks

The morphologies of calcite grain boundaries were analyzed to provide insight into the evolution of pore networks in unfractured rock. Two synthetic calcite rocks were fabricated by hot isostatically pressing (HIP-ing) dried analytical-grade powders of pure CaCO3 and CaCO3 plus 5% Al2O3 at 600° C and 200 MPa confining pressure for 3 hours (HIP-1). Some samples were HIPed a second time at different temperatures and pressures to investigate the stability of the structures (HIP-2a-c). SEM and TEM were used to image both grain faces and grain boundary cross-sections. Structures on grain faces vary from open shallow basins with peripheral rims, to labyrinths of irregular ridges and channels, to isolated circular depressions. All of these structures are mirrored across the plane between grain faces. The grain size in both the single and two-phase samples increased markedly during HIP-1. Migrating boundaries either dragged pores along or broke away leaving grain interiors dotted with small voids. The structures present after HIP-1 were not stable but evolved considerably in a way dependent on the conditions of the HIP-2. Confining pressure had the most pronounced effect. With low confining pressure, the grain-boundary porosity evolved into isolated circular depressions but the total pore volume did not noticeably decrease. With high confining pressure, the pore volume virtually disappeared. The structures present after HIP-1 are strikingly similar to those that develop in intragranular cracks during healing. We infer that grain boundaries and intragranular cracks heal by similar processes. Decomposition, localized melting, impurities, and anisotropic surface energies played no evident role in forming the grain-boundary structures. The timing of the formation of the porosity and of the subsequent healing processes is more difficult to ascertain. Some structures appear to have evolved gradually throughout the constant, high temperature stage of HIPing. The most obvious structures, however, appear to have evolved on grain boundary cracks that opened during cooling.

The diffusion coefficients of gaseous and volatile species during the irradiation of uranium dioxide

Measurements of release for rare gas fission products from single and polycrystalline uranium dioxide during irradiation are described. The fuel samples were enriched to 20% in 235U to avoid uncertainties in the fission rate due to plutonium production. The surface area of the single crystals was determined optically to provide a reference of known surface-to-volume ratio for the determination of diffusion coefficients for the rare gases and their halogen precursors.The initial part of the experiment was isothermal, during which the time dependence of release was observed and the polycrystalline material developed extensively interlinked grain-boundary porosity. Subsequently the temperature dependence of the release process was studied.It is concluded that the diffusion of rare gas atoms in UO2 during irradiation is a complex process involving more than one rate-controlling mechanism and bears a close similarity to cation self-diffusion. In both cases, the low-temperature kinetics are radically affected by irradiation damage.The present results are well represented by a composite diffusion coefficient containing three terms — one representing high-temperature intrinsic behaviour whilst the other two represent the effect of irradiation enhancement. This equation should be modified to take account of intragranular bubbles at all temperatures for stable gas release, and at high temperatures in the case of unstable species.

The transfer of fission gas between grain faces and edges in UO 2

A simple diffusion model is used to investigate the preferential motion of grain-boundary bubbles in UO 2 during high-temperature irradiation, caused by bubble-to-bubble variations in fission-gas pressure. The results are used to explain the observed development of grain-boundary porosity as irradiation proceeds, and a simple but realistic model of this process is suggested.

Swelling of carbonyl nickel

Nickel slabs deposited by thermal decomposition of nickel carbonyl vapor are relatively hard and are found to contain grown-in microscopic porosity associated with dislocations and grain boundaries. On annealing in vacuum at temperatures up to 500°C the shapes of the pores are altered and the slabs show an attendant softening and a shrinkage of more than 1 2 %. Annealing at temperatures above 500°C encourages the development of large grain-boundary porosity that causes 2% swelling during a 1000°C anneal. These observations are consistent with a model involving entrapment of gases during deposition of the nickel.

FRACTURE BEHAVIOUR OF A DISPERSION-STRENGTHENED SAP-TYPE ALLOY

AbstractThe fracture surfaces of AT-400 (Al-Al2O3, SAP-type) dispersion-strengthened alloy specimens, broken in impact over the temperature range 20 to–170°C, have been examined visually and by electron microscopy. Test temperature, dispersed-particle morphology, grain size, and method of alloy fabrication all affected the mode of fracture.Conventional fabrication of aluminium SAP-type alloys appears to lead to grain-boundary porosity associated with reduced ductility. Specimens fabricated using a vacuum annealing treatment before final consolidation have more ductility than specimens of commercial-purity aluminium.The presence of the grain-boundary porosity, coupled with the fine Al2O3 dispersion, can produce independently nucleated microcleavage facets in the aluminium matrix. The appearance of this type of fracture is very similar to that observed for dispersion-strengthened non-metallic crystalline materials.