Effect of grain boundary energy anisotropy on grain growth in ZK60 alloy using a 3D phase-field modeling

A three-dimensional(3D)multiple phase field model,which takes into account the grain boundary(GB)energy anisotropy caused by texture,is established based on real grain orientations and Read-Shockley model.The model is applied to the grain growth process of polycrystalline Mg(ZK60)alloy to investigate the evolution characteristics in different systems with varying proportions of low-angle grain boundary(LAGB)caused by different texture levels.It is found that the GB energy anisotropy can cause the grain growth kinetics to change,namely,higher texture levels(also means higher LAGB proportion)result in lower kinetics,and vice versa.The simulation results also show that the topological characteristics,such as LAGB proportion and distribution of grain size,undergo different evolution characteristics in different systems,and a more serious grain size fluctuation can be caused by a higher texture level.The mechanism is mainly the slower evolution of textured grains in their accumulation area and the faster coarsening rate of non-textured grains.Therefore,weakening the texture level is an effective way for implementing a desired homogenized microstructure in ZK60 Mg alloy.The rules revealed by the simulation results should be of great significance for revealing how the GB anisotropy affects the evolution of polycrystalline during the grain growth after recrystallization and offer the ideas for processing the alloy and optimizing the microstructure.

Computation of Five-Dimensional Grain Boundary Energy

Abstract A broken-bond type computational method has been developed for the calculation of the five-dimensional grain boundary energy. The model allows quick quantification of the unrelaxed five-dimensionally specified grain boundary energy in arbitrary orientations. It has been validated on some face-centred cubic metals. The stereo projections of grain boundary energy of ∑3,∑5,∑7, ∑9, ∑11, ∑17b and ∑31a have been studied. The results of Ni closely resemble experimentally determined grain boundary energy distribution figures, suggesting that the overall anisotropy of grain boundary energy can be reasonably approximated by the present simple model. Owing to the overlooking of relaxation matter, the absolute values of energy calculated in present model are found to be higher than molecular dynamic-based results by a consistent magnitude, which is 1 J/m2 for Ni. The coverage of present method forms a bridge between atomistic and meso-scale simulations regarding polycrystalline microstructure.

Energy of Grain Boundaries of Different Type in fcc Solid Solutions,Ordered Alloys and Intermetallics with L1_2 Superstructure

The study of the triple junctions of the grain boundaries in some fee solid solutions, ordered alloys and intermetallics with L12 has been carried out using the optical metallography and TEM methods. Two-types of the triple junctions were found in the alloys investigated (1), consisting of the boundaries of the random (RT), and (2), consisting of the RT boundary and the special boundaries (ST). The relative values of the RT and ST boundary energy were determined on the basis of the measurements of the angles between the grain boundary planes. It has been shown that the energy of ST boundaries increases with the increase of the stacking fault (SF) energy. The energy of the RT boundaries does not depend on the SF energy.

Role of Ordering Energy in Formation of Grain Structure and Special Boundaries Spectrum in Ordered Alloys with L12 Superstructure

It was revealed that an average energy of special boundaries is proportional to APB energy in the alloys with the L12 superstructure. This fact proves the appearance of the GAPBs in the planes of location of special boundaries in coincidence sites of ordered alloys. It was determined that the more energy of special boundaries in ordered alloys, the more energy of complex stacking fault. There is a correlation between the distribution of special boundaries as a function its relative energy and ordering energy: the more ordering energy, the more degree of washed away of distribution. The correlation between average relative energy of special boundaries and ordering energy was detected: the more ordering energy, the more average energy of special boundaries. The reverse dependence between ordering energy and average number of special boundaries in grains limited by boundaries of general type was discovered.

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

This paper reports that an atomic scale study of [^-110] 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 hlgh 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 significaut 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）, （113） and （331） boundary successively for two translations considered; from minimization of GB energy, these boundaries should be preferable in [^-110] STGB for noble metals. This is consistent with the experimental results. In addition, the minimum energy increases with increasing reciprocal planar coincidence density ∑, but decreases with increasing relative interplanar distance d/a.

Effects of concurrent grain boundary and surface segregation on the final stage of sintering: the case of Lanthanum doped yttriastabilized zirconia

Dopants play a critical role in tailoring the microstructure during sintering of compacts. These dopants may form solid solution within the bulk, and/or segregate to the grain boundaries（GBs） and the solidvapor interfaces（free surfaces）, each causing a distinct energetic scenario governing mass transports during densification and grain growth. In this work, the forces controlling the dopant distribution, in particular the possibility of concurrent segregation at both surfaces and GBs, are discussed based on the respective enthalpy of segregation. An equation is derived based on the minimum Gibbs energy of the system to determine enthalpy of segregation from experimental interface energy data, and the results applied to depict the role of La as a dopant on the interface energetics of yttria stabilized zirconia during its final stage of sintering. It is shown that La substantially decreases both GB and surface energies（differently）as sintering progresses, dynamically affecting its driving forces, and consequent grain growth and densification in this stage.

Bulk nanocrystalline W-Ti alloys with exceptional mechanical properties and thermal stability

Nanocrystalline(NC)W metals and alloys often exhibit higher radiation tolerance and strength than their coarse-grained counterparts.However,their thermal stability is low,making it difficult to achieve bulk NC W metals and alloys by consolidation using conventional techniques such as pressure-less sintering,hot-explosive-compaction sintering,and spark plasma sintering.Here we report the synthesis and mechanical properties of bulk NC W_(100-x)Ti_(x)(x=10 at.%-30 at.%)alloys prepared by consolidating mechanically alloyed NC powders under a high-temperature/high-pressure condition.Adding 20 at.%-30 at.%Ti largely improves the sinterability of NC W-Ti alloy powders.The room-temperature microhardness and compressive yield strength of consolidated bulk NC W_(80)Ti_(20) alloy are∼16.9 and 6.0 GPa,respectively,which are mainly caused by grain boundary strengthening and significantly higher than those of previously reported W and W alloys.The ultimate compressive strength of bulk NC W_(80)Ti_(20) measured between 900 and 1100°C deceases with increasing temperature.This behavior can be explained by the activation of Rachinger grain boundary sliding.No grain growth is observed in bulk NC W_(80)Ti_(20) after compression at 1000°C.Theoretical calculation suggests that it is the segregation of Ti at grain boundaries that decreases the specific grain boundary free energy and makes the NC W_(80)Ti_(20) alloy thermodynamically stable.