Planar Grain Research Articles

Planar defects and strain distributions in polycrystalline BaFe2As2 superconductors synthesized by mechanochemical methods

In this study, the microstructure of polycrystalline Co-doped BaFe2As2 superconducting bulks was comprehensively analyzed. The synthesis process involved ball milling and subsequent spark plasma sintering (SPS). A strong correlation between the microstructure and synthesis conditions was observed. Specifically, when mechanochemical synthesis of raw metal powders was carried out at a ball milling energy (EBM) of 100 MJ/kg, the resulting Co-BaFe2As2 bulk contained nanograins with a high density of planar defects and exhibited a high critical current density (Jc) under both magnetic and self-fields. The findings suggest that planar defects are one of the influential factors on the superconducting properties. Atomic-resolution microstructural characterization revealed that the planar defects are parallel to (001) and exhibit distinctive atomic arrangements. Atomic-resolution elemental mappings displayed a remarkable barium concentration in planar defects and grain boundaries compared to the BaFe2As2 matrix. Local strain fields were also observed around planar defects, especially near their edges. These nanoscale strain fields could be considered as volumetric pinning centers, and effectively pin flux vortices in the random crystal orientation, thereby increasing Jc in the Fe-based superconducting bulk. Additionally, an extended investigation was performed to include a K-doped BaFe2As2 bulk that exhibits similar planar defects. Based on the results of the microstructural analysis, speculations were mode on the evolution process of the microstructure during the preparation of BaFe2As2 bulks.

Grain refinement and strengthening mechanism of AZ31 magnesium alloy formed by pre-upsetting alternating forward extrusion

The pre-upsetting deformation process was added before the alternating forward extrusion forming, which can significantly refine the grains and improve the mechanical properties while reducing the load. The effects of 14%, 25%, 36% pre-upsetting deformation on the microstructure and mechanical properties of AZ31 magnesium alloy were investigated. The results show that the pre-upsetting alternating forward extrusion (UAFE) process can achieve significant grain refinement from 31.1 µm to 2.9–3.5 µm. With the increase of pre-upsetting deformation, the elongation at break tends to decrease and the tensile strength tends to increase. The comprehensive mechanical properties of U2AFE are the best, the yield strength and tensile strength are 203.1 MPa and 299.0 MPa respectively, and the elongation at break is 12.5%. The enhancement of the pre-upsetting deformation process not only makes the basal plane of grains in the billet randomly distributed and weakens the basal plane texture, but also stores a large amount of strain energy and dislocation inside the billet, which accelerates the subsequent continuous dynamic recrystallization (CDRX) process of alternating extrusion. This provides scientific guidance and technical support for the research of high-performance magnesium alloy extrusion forming technology.

Fatigue behavior of freestanding nickel-molybdenum-tungsten thin films with high-density planar faults.

This research addresses the fatigue behavior of freestanding nickel-molybdenum-tungsten (Ni-Mo-W) thin films with high-density planar faults. The as-deposited Ni-Mo-W thin films demonstrate an unprecedented fatigue life, withstanding over a million cycles at a Goodman stress amplitude (Sa,Goodman) of 2190 MPa - nearly 80% of the tensile strength. The texture, columnar grain width, planar fault configuration (spacing and orientation), and tensile strength were unchanged after annealing at 500 °C for 24 hours, and the film endured over 2 × 105 cycles at Sa,Goodman of 1050 MPa. The fatigue life of annealed Ni-Mo-W thin films is comparable to those of nanocrystalline Ni-based alloys, but has deteriorated significantly compared to that of the as-deposited films. The high fatigue strength of Ni-Mo-W thin films is ascribed to extremely dense planar faults suppressing fatigue crack initiation, and planar fault-dislocation interaction and grain boundary plasticity are proposed as mechanisms responsible for the fatigue failure. Provisionally the latter is a more convincing account of the experimental results, in which changes in the grain boundary characteristics after annealing cause higher susceptibility to stress concentration during cyclic loading. The fatigue behavior revealed in this work consolidates the thermal and mechanical reliability of Ni-Mo-W thin films for potential nano-structural applications.

Research on microstructure and properties of 3D plasma spray welding repair layer of continuous casting segmented rollers

In this paper, the Fe-Cr-Ni-Si powder was used in a 3D plasma spray welding machine to perform spray welding repair tests on continuous casting segmented rollers for service life improvement. The phase composition, hardness distribution, abrasion resistance and thermal stability of the spray welding layer were analyzed. Results indicated that the spray welding layer produced by 160 A welding current was more uniform and was with finer organization. The main phase zone was a single γ-Fe and the fusion zone was metallurgically combined with the base metal in a planar grain manner. The hardness of the spray welding layer was the maximum when the welding current was 160 A. The abrasion resistance for each position of the spray welding layer was uniform. The γ-Fe phase zone decreased and the α-Fe phase zone increased with reduction of average hardness after the thermal stability test. In industrial tests, the optimum spray welding parameters were verified and the service life of the continuous casting segmented rollers with spray welding was 2 longer than rollers using surfacing welding process.

Significantly enhanced performance and conductivity mechanism in Nb/Mn co-doped CaBi4Ti4O15 ferroelectrics

With the rapid development of high-end industries, the demand for high-temperature piezoelectric materials is significantly increasing. However, realizing the ultra-high performance to meet more applications still faces major scientific and engineering challenges of our time. Here, a new Nb/Mn co-doped CaBi4Ti4O15 (CBT) high-temperature piezoelectric material system of CaBi4Ti4-x(Nb2/3Mn1/3)xO15 was synthesized by the conventional solid-state sintering method. The results show that the addition of the dopants tends to break the long-range ferroelectric chain and soften the flexibility of polarization, resulting in more distorted crystal structure and better ferroelectric properties of CBT ceramics. The ultra-high piezoelectric constant (d33 = 26.8 pC/N) is thus attained in CBT-based ceramics with x = 0.12, which is about several times larger than that of pure CBT ceramics. Moreover, numerous nano-sized layered domain structures that lie on the lateral plane of grains are observed in ceramics, with lower domain wall energy and better dynamic features under electric fields, mainly responsible for the origin of enhanced performance. Besides, excess dopants could make the conductivity mechanism of CBT ceramics transform from p-type to n-type, and also result in a shift of conduction relaxation mechanism from defect dipole rotation polarization to electron relaxation polarization. The work not only provides a promising candidate for high-temperature piezoelectric materials, but also opens a window for optimizing performance by tailoring domain structures using chemical modification.

Microstructure and properties of composite coatings by laser cladding Inconel 625 and reinforced WC particles on non-magnetic steel

Due to the extremely complex and strict service conditions of non-magnetic drill collars, the friction, wear and corrosion will lead to their damage and failure. Therefore, the surface modification technology can be used to substantially improve the surface performance and effectively extend the service life of non-magnetic drill collars. Under this engineering background, the laser cladding technology was employed to fabricate pure Inconel 625 and Inconel 625/WC coatings on the surface of TWZ-2 non-magnetic steel substrate, and the influences of WC content on the microstructure, phase composition, element distribution, microhardness and wear and corrosion resistance of these coatings were analyzed. The experimental results show that the microstructures of pure Inconel 625 and Inconel 625/WC coatings are all composed of planar grain, cellular grain, columnar grain and equiaxed grain successively. The phases of pure Inconel 625 coating are composed of γ-Ni phase and Laves phase. With WC particles mixed into Inconel 625 powder, various carbide phases appear in the composite coatings. The higher the WC content, the more the precipitated carbides formed by the reaction, thus aggravating the segregation of the solid solution strengthening elements. Besides, W and C elements present severe local segregation due to the undissolved WC particles. In terms of the hardening and strengthening effects of WC particles, the microhardness of the coatings gradually increases with the rise of WC content. The wear mechanisms of substrate and coatings are all compound wears, and different wear forms have different priorities. Accordingly, the wear mechanisms would change with the WC content. The higher the WC content, the lower the wear loss of coating, and the better the wear and friction resistance. Moreover, the corrosion resistance of coatings is better than that of substrate. With the increase of WC content, the corrosion resistance of the composite coatings decreases gradually.

Molecular dynamics study of grain boundary and radiation effects on tritium population and diffusion in zirconium

Tritium population thermodynamics and transport kinetics critically define the tritium storage performance of zirconium tritides that can be used for a variety of nuclear applications including tritium-producing burnable absorber rods. Both thermodynamic and kinetic properties can be sensitive to grain sizes of materials and can be significantly altered by irradiated defects during operation under the reactor environments. A thorough experimental characterization of how these properties evolve under different reactor conditions and different initial grain structures is extremely challenging. Here molecular dynamics simulations are used to investigate tritium population and diffusion in zirconium with and without different planar symmetric and asymmetric tilt grain boundaries and irradiated defects. We found that in addition to trapping tritium, the most significant effect of planar grain boundaries is to increase tritium diffusivity on the boundary plane. Furthermore, fine grain structures are found to mitigate the change of tritium diffusivity due to irradiated point defects as these point defects are likely to migrate to and sink at grain boundaries.

Quantifying the differences in properties between polycrystals containing planar and curved grain boundaries

There are several methods in which grain boundaries can be made for modelling, but most produce planar (flat) grains. In this study, we investigated the difference in materials properties between polycrystalline systems comprised of planar grain and curved grain boundaries. Several structural and mechanical properties for both systems were determined. For systems with curved grain boundaries, it was found that the elastic moduli are all larger in magnitude, the excess volumes are comparable, and the plastic properties are smaller. In addition, a grain tracking algorithm was used to determine the differences in the numbers of triple junctions detected between polycrystalline systems with planar and curved grain boundaries. This can be theoretically determined and compared to a simple model system. We find that planar systems of grain boundaries possess significantly more triple junctions than systems of curved grain boundaries by a factor of two. There are also systematic differences between the two types of a system when they undergo grain growth, when there is an anomalous close-packed hexagonal phase which grows in the system of planar grain boundaries.

A stochastic model of grain boundary dynamics: A Fokker–Planck perspective

Many technologically useful materials are polycrystals composed of small monocrystalline grains that are separated by grain boundaries of crystallites with different lattice orientations. The energetics and connectivities of the grain boundaries play an essential role in defining the effective properties of materials across multiple scales. In this paper we derive a Fokker–Planck model for the evolution of the planar grain boundary network. The proposed model considers anisotropic grain boundary energy which depends on lattice misorientation and takes into account mobility of the triple junctions, as well as independent dynamics of the misorientations. We establish long time asymptotics of the Fokker–Planck solution, namely the joint probability density function of misorientations and triple junctions, and closely related the marginal probability density of misorientations. Moreover, for an equilibrium configuration of a boundary network, we derive explicit local algebraic relations, a generalized Herring Condition formula, as well as formula that connects grain boundary energy density with the geometry of the grain boundaries that share a triple junction. Although the stochastic model neglects the explicit interactions and correlations among triple junctions, the considered specific form of the noise, under the fluctuation–dissipation assumption, provides partial information about evolution of a grain boundary network, and is consistent with presented results of extensive grain growth simulations.

A numerical model of grain growth

Abstract A numerical model for grain growth has been developed. The governing equations for the model are derived from a variational principle that enforces the balance between energy dissipation and changes of internal energy. This approach significantly simplifies previous modelling of grain growth by replacing a curved grain boundary with several straight lines and relaxing constraints on triple point angles. Such simplifications provide a basis for a finite element method by reducing the analysis of a complex network of interconnected curved lines to the motion of interacting points. In the finite element formulation two approaches are used, namely an element based formulation and a node based formulation. In the latter case, the properties of the elements are lumped together at their common nodes. Such an approach allows the nodal velocity to be determined independently of the forces on other nodes in a lumped mobility methodology, leading to a further reduction of computer time. Several planar grain networks of Voronoi polygons have been studied. The evolution of the grain structures determined from these two approaches is found to exhibit the same trends as those obtained using other models published in the literature. Owing to its simplicity, the node based formulation is recommended.

Notch strength and notch fracture mechanisms of a cast Mg-Gd-Y alloy

This study aims to elucidate the mechanical properties and fracture mechanisms of cast Mg-6Gd-3Y-0.4Zr (wt.%) (GW63) alloy in the presence of geometrical discontinuities induced by notches. Notch strength is evaluated by room-temperature tensile tests using circumferentially notched bars of different notch acuity. Finite element calculations suggest that notch fracture is controlled by the von Mises stress and effective plastic strain at the notch tip. Through fractographic observations and EBSD analysis on samples subjected to interrupted tests, a cleavage micro-cracking behavior uncommon for conventional Mg alloys is found to dominate notch fracture. Grain-sized cleavage microcracks tend to occur along the basal plane of grains favorably oriented for basal slip, which is explained by crack nucleation at co-planar slip bands blocked by the grain boundary according to Smith and Barnby's theory. Failure is initiated by the accumulation and coalescence of such microcracks in the notch vicinity. The unexpected cleavage micro-cracking behavior is mainly ascribed to the RE solutes that suppress {10–12} twinning, and is responsible for the limited deformation capacity and notch strength of the cast-T6 GW63 alloy with coarse grains and significant strengthening due to precipitation.

Dwell-Fatigue of Ni-Based Superalloys with Serrated and Planar Grain Boundary Morphologies: The Role of the γ′ Phase on Strain Accumulation and Cavitation

Dwell-Fatigue of Ni-Based Superalloys with Serrated and Planar Grain Boundary Morphologies: The Role of the γ′ Phase on Strain Accumulation and Cavitation

Meso-modelling study of the mechanical response and texture evolution of magnesium alloy during hot compression

The mechanical response and texture evolution of magnesium alloy during hot deformation are closely related to the heterogeneous meso-deformation. The improved Voce hardening law was developed and introduced into the crystal plasticity (CP) theory, and a reconstruction method of textured representative polycrystal was proposed. Three-dimensional crystal plasticity finite element model (3D-CPFEM) was established to meso-simulate the hot compression deformation of ZK61 Mg alloy. The influence of the temperature and strain rate on mechanical response was investigated, and the corresponding texture evolution and the texture transformation mechanism was revealed through meso-simulation. The results show that the 3D-CPFEM with the improved Voce hardening law and the initial texture characteristic can well predict the mechanical response and texture evolution under different temperatures and strain rates during hot compression of ZK61 Mg alloy. The basal plane texture of the ZK61 tubular blank is transformed into the basal fiber texture after hot compression, where the basal plane of grains is deflected gradually from the radial-axial plane to the radial-tangential plane. The texture transformation is attributed to two reasons, i.e., the orientation deflection of the grains with larger basal slip systems Schmid factor (SF) and the orientation retention of the grains whose c-axis tends to be parallel to the axial direction (AD) of the tubular blank. The change of the grain orientation corresponding to the basal plane texture component of the tubular blank has little contribution to the formed basal fiber texture.

Creep Behavior of Diffusion-Welded Alloy 617

Plate-type heat exchangers are anticipated to be used in the next-generation nuclear industry, and solid-state diffusion welding is a critical technology for building plate-type heat exchangers with high integrity. In this study, we manufactured a diffusion weldment and evaluated its creep behavior. Microscopic analysis revealed that Al-rich oxides were developed along the interface, significantly impeding grain-boundary movement across the interface. Oxide-containing planar grain boundaries resulted in premature brittle fracture at the interface with less than 9% creep strain under all test conditions. The time to rupture and time to 1% creep strain of the diffusion weldment were less than those of the as-received alloy, while the slopes in double-logarithmic plots were almost identical for both alloys. In a Larson–Miller parameter study, the stress to rupture of the diffusion weldment reached 95.59% of that of the as-received alloy, whereas the stress to 1% creep strain steeply decreased in the low-stress range.

Fundamental Investigation of Diamond Cutting of Micro V-Shaped Grooves on a Polycrystalline Soft-Brittle Material

Fabricating micro-structures on optical materials has received great interest in recent years. In this work, micro-grooving experiments were performed on polycrystalline zinc selenide (ZnSe) to investigate the feasibility of surface micro-structuring on polycrystalline soft-brittle material by diamond turning. A photosensitive resin was coated on the workpiece before cutting, and it was found that the coating was effective in suppressing brittle fractures at the edges of the grooves. The effect of tool feed rate in groove depth direction was examined. Results showed that the defect morphology on the groove surface was affected by the tool feed rate. The crystallographic orientation of grains around the groove was characterized by electron backscatter diffraction (EBSD), and it was found that the formation of defects was strongly dependent on the angle of groove surface with respect to the cleavage plane of grain. The stress distribution of the micro-grooving process was investigated by the finite element method. Results showed that the location of tensile stresses in the coated workpiece was farther from the edge of the groove compared with that in the uncoated workpiece, verifying the experimental result that brittle fractures were suppressed by the resin coating.

Complexes of Parallel Grain Boundaries in YBa2Cu3O7 Film for Josephson Junction Chains and Arrays

Substrates consisting of five parallel planar grain boundaries (GBs), oriented perpendicular to the surface and spaced by several micrometers, have been grown by solid-phase bonding of fianite crystals in order to obtain large complexes of closely spaced bicrystal Josephson junctions based on high-temperature superconductor (HTSC) films. The substrates had a crystallographic orientation (100) and dimensions of 1.0 × 10.0 × 10.0 mm3. All GBs were of symmetrical type, and their lattices were rotated by 12° in opposite directions around the axis perpendicular to the surface. The distance between GBs in a packet complex was 15 µm, and this value was maintained with an error of no more than 1 µm along their entire length of 10 mm. The deviation of the shape of all five GBs from an ideal geometric plane was within 1 µm along their entire length. Films of HTSC YBa2Cu3O7 with inheritance of GBs were grown on these substrates. Structures of two types were formed on the films using lithography. It is shown that the use of these fianite substrates in HTSC-based devices of cryogenic electronics increases significantly the density of bicrystal Josephson junctions; reduces several times the total length of superconducting lines connecting these junctions; and, correspondingly, decreases significantly the inductive resistance of these circuits and improves their electrical characteristics in comparison with the structures having similar functions but based on one or two parallel GBs.

Misorientation dependence of the grain boundary migration rate: role of elastic anisotropy

ABSTRACT In this work, numerical computations of image forces and stored energy during the growth of a strain free grain within a recovered matrix containing an array of identical dislocations are performed. A decrease of the stored energy is observed when image forces are attractive and an increase when image forces are repulsive. The variation of elastic energy depends closely on the material elastic anisotropy, the number of dislocations in the array and its initial distance to grain boundary. For an array of 20 edge dislocations and the motion of a planar grain boundary over approximately 180 atomic spacing, the magnitude of the energy variation is on the order of one dislocation line energy for Al and six for Cu, which is significant in both cases. Furthermore, by sweeping the whole orientation space for FCC crystals, it is shown that grain boundaries near a misorientation are among those that can display the highest attractive forces on edge dislocations. Since grain boundary migration is driven by the reduction of stored energy, the results are analysed in light of experimental recrystallization data in FCC metals which show that the fastest moving boundaries are often characterised by misorientation axis around and misorientation angle close to .

Texture evolution and deformation - induced amorphization in high pressure torsion of W

Severe plastic deformation is a convenient method to prepare amorphous materials directly. To study the mechanism and critical conditions of deformation-induced amorphization, high pressure torsion (HPT) experiments of 1, 2, 5 and 10 turns subjected to sintered W were performed under 823 K at 1.5 GPa. The microstructures of sintered and HPT-processed W were observed by electron backscatter diffraction (EBSD) and transmission electron microscopy (TEM). In HPT, the angle between the (110) crystal plane of grains and the tangential direction decreased with more turns of HPT and the Schmid factor value of the texture with (110) was the biggest during HPT. It is implied that the slip systems in {110} were the easiest to be activated. Therefore, the number of dislocations in (110) crystal plane was the largest. Likewise, the dislocations on the grain boundaries increased with more turns of HPT. It is concluded that the grains with (110) orientation were more likely to transform into the amorphous structure and grain boundaries were the first area to occur deformation-induced amorphization. Deformation-induced amorphization mainly depends on three factors: temperature, local dislocation density and grain size. The critical local dislocation density is ∼6 × 1016 m−2 and the critical grain size is ∼62.4 nm for W in HPT under 823 K.

The Effect of Magnetic Flux Focusing on the Current–Voltage Characteristics of YBa2Cu3O7- δ Grain Boundary Josephson Junctions

In order to obtain experimental evidence for the influence of flux focusing effect on the characteristics of planar grain boundary (GB) Josephson junctions, we measured the current–voltage characteristics and magnetic-field-dependent current–voltage steps of integrated YBa2Cu3O7- δ bicrystal GB Junctions with different junction widths. Under the self-magnetic field, the critical current of the GB junction is proportional to the square root of the junction width, which is different from the traditional linear relationship between the critical current and the junction width. When a vertical magnetic field is applied, the flux flow current–voltage step could be observed, and the step voltage increases monotonously with an increase in the junction width. When a magnetic field rotating in the bc plane is applied, the voltage value of the flux flow step decreases slowly as the magnetic field inclined angle increases when the field inclined angle is relatively large. Based on these results, we demonstrate the presence of the magnetic flux focusing effect on YBa2Cu3O7- δ GB Josephson junctions. The size of flux focusing in the GB is closely associated with the width of the junctions and the orientation of the magnetic field.

Bound States in the Continuum through Environmental Design.

We propose a new paradigm for realizing bound states in the continuum (BICs) by engineering the environment of a system to control the number of available radiation channels. Using this method, we demonstrate that a photonic crystal slab embedded in a photonic crystal environment can exhibit both isolated points and lines of BICs in different regions of its Brillouin zone. Finally, we demonstrate that the intersection between a line of BICs and a line of leaky resonances can yield exceptional points connected by a bulk Fermi arc. The ability to design the environment of a system opens up a broad range of experimental possibilities for realizing BICs in three-dimensional geometries, such as in 3D-printed structures and the planar grain boundaries of self-assembled systems.