Search Results (25)

The effect of thermal hydrogen charging on the tensile properties of GH625 superalloy was investigated. The results reveal that hydrogen significantly reduces the ductility of the GH625, leading to a shift from microvoid coalescence (MVC)-induced ductile fracture to intergranular (IG) brittle fracture. Random grain boundaries (GBs) are the primary sites for crack initiation. Hydrogen reduces the critical fracture stress of the δ phase at grain boundaries, causing cracking of the δ phase. Under the influence of hydrogen-enhanced localized plasticity (HELP) and hydrogen-enhanced decohesion (HEDE), the δ/γ interface debonds, forming microcracks that propagate along the fractured δ phase, leading to intergranular cracking. Annealing twin boundaries (TBs) serve as secondary sites for crack initiation. Hydrogen-induced local stress concentration promotes twin boundary sliding and hydrogen segregation reduces twin boundary cohesion strength, which is the primary cause of TB crack formation. Full article

Deformation twinning creates a three-dimensional twin domain via the migration of forward, normal and lateral twin boundaries (TBs) with respect to twin shear direction, normal to twin plane and twin lateral direction. Solute segregation and pinning effect on the forward and normal TBs have been experimentally observed and demonstrated via atomistic simulations. Here, we conducted a comprehensive study of solute segregation and the pinning effect on the lateral TBs in Mg. First-principles density functional theory calculations were used to obtain the segregation and formation energies of 19 alloying elements in coherent regions of lateral TBs. Alloying elements with greater difference in atomic radius from Mg generally show more negative segregation energy. Moreover, alloying elements with good solubility are selected to demonstrate the pinning effect on a coherent interface. Ge, Ga, Y, Gd, La and Ca show negative segregation energy and solubility energy, indicating that these elements can form stable segregation and have a strong pinning effect at the lateral boundary. Molecular dynamics simulations revealed that solutes in coherent regions are more effective in pinning lateral TBs than those in misfit regions. The results provide insight into the selection of solute atoms for tailoring twinning behavior. Full article

It is of great academic significance to understand the influence that the atomic-scale structure of interfaces and boundaries within materials has on magnetic coupling characteristics and promote the innovation of advanced magnetic devices. Here, we carried out a systematic investigation of the atomic and electronic structures of twin boundaries (TBs) in Li_0.5Fe_2.5O₄ (LFO) thin films and determined their concurrent magnetic couplings using atomic-resolution transmission electron microscopy and first-principle calculations at the atomic scale. The results show that ferromagnetic or antiferromagnetic coupling can exist across the different TBs in LFO thin films, and electrical structures within a few atomic layers directly rely on the atom arrangement across the TB. Uncovering one-to-one relationships between the magnetic coupling properties of individual TBs and atomic-scale structures can clarify a thorough comprehension of numerous fascinating magnetic properties of commonly utilized magnetic materials, which will undoubtedly encourage the progress of sophisticated magnetic materials and devices. Full article

Multi-element alloys (e.g., non-equiatomic FeMnCoCr alloys) have attracted extensive attention from researchers due to the breaking of the strengthen-ductility tradeoff relationship. Plenty of work has been conducted to investigate the ingredient-dependent deformation mechanism in these alloys in experiments. However, the atomic simulations on such parameter-related mechanisms are greatly limited with the lack of the related interatomic potentials. In this work, two interatomic potentials are developed within the embedded atom method (EAM) framework for Fe_80−xMn_xCo₁₀Cr₁₀ high-entropy alloys. The tunability of the cohesive energy-related martensitic transformation (MT) mechanism was comprehensively investigated using molecular dynamics (MD) through a series of unilateral crack configurations with different twin boundary spacings (TBs). It is noted that the main deformation mechanism around the crack tip is transformed from a martensitic transformation to dislocation activities (dislocation or twin) with the variation of different cohesive energies between face-centered cubic (fcc) and hexagonal close-packed (hcp) phases. Additionally, the introduction of twin boundaries significantly enhances the strength and toughness of the alloys. The newly developed interatomic potentials are expected to provide theoretical support for the related simulations, focusing the martensitic transformation mechanism on high-entropy alloys. Full article

The manufacturing process for wrought Ti alloys with the hexagonal close-packed (HCP) structure introduces a complicated microstructure with abundant intra- and inter-grain boundaries, which greatly influence performance. In the hexagonal close-packed (HCP) structure, two types of grain boundaries are commonly observed between grains with ~90° misorientation: the basal/prismatic boundary (BPB) and the coherent twin boundary (CTB). The mechanical response of the BPB and CTB under external loading was studied through molecular dynamic simulations of HCP-Ti. The results revealed that CTB undergoes transformation into BPB through the accumulation of twin boundary (TB) steps and subsequent emission of Shockley partial dislocations. When the total mismatch vector is close to the Burgers vector of a Shockley partial dislocation, BPB emits partial dislocations and further grows along the stacking faults. When a pair of CTBs are close to each other, severe boundary distortion occurs, facilitating the emission and absorption of partial dislocations, which further assists the CTB-BPB transformation. The present results thus help to explain the frequent observation of coexisting CTB and BPB in HCP alloys and further contribute to the understanding of their microstructure and property regulation. Full article

Grain boundary engineering (GBE) enhances the properties of metals by incorporating specific grain boundaries, such as twin boundaries (TB). However, applying conventional GBE to parts produced through additive manufacturing (AM) poses challenges, since it necessitates thermomechanical processing, which is not desirable for near-net-shape parts. This study explores an alternative GBE approach for post-processing bulk additively manufactured aluminium samples (KoBo extrusion), which allows thermo-mechanical treatment in a single operation. The present work was conducted to examine the microstructure evolution and grain boundary character in an additively manufactured AlSi10Mg alloy. Microstructural evolution and grain boundary character were investigated using Electron Back Scattered Diffraction (EBSD) and Transmission Electron Microscopy (TEM). The results show that along with grain refinement, the fraction of Coincidence Site Lattice boundaries was also increased in KoBo post-processed samples. The low-Σ twin boundaries were found to be the most common Coincidence Site Lattice boundaries. On the basis of EBSD analysis, it has been proven that the formation of CSL boundaries is directly related to a dynamic recrystallisation process. The findings show prospects for the possibility of engineering the special grain boundary networks in AM Al–Si alloys, via the KoBo extrusion method. Our results provide the groundwork for devising GBE strategies to produce novel high-performance aluminium alloys. Full article

Metallic nanowires (NW) usually exhibit unique physical, mechanical, and chemical properties compared to their bulk counterparts. Despite extensive research on their mechanical behavior, the atomic-scale deformation mechanisms of metallic nanowires remain incompletely understood. In this study, we investigate the deformation behavior of Au nanowires embedded with a longitudinal twin boundary (TB) under different loading rates using in situ nanomechanical testing integrated with atomistic simulations. The Au nanowires exhibit a recoverable bending strain of up to 27.5% with the presence of TBs. At low loading rates, the recoverable bending is attributed to the motion of stacking faults (SFs) and their interactions with TBs. At higher loading rates, the formation of high-angle grain boundaries and their reversible migration become dominant in Au nanowires. These findings enhance our understanding of the bending behavior of metallic nanowires, which could inspire the design of nanodevices with improved fatigue resistance and a large recoverable strain capacity. Full article

In this study, the uniaxial compression of random orientation ZK60 Mg alloy to different strains was performed at room temperature. The microstructure evolution was characterized mainly using electron backscattered diffraction (EBSD), and the mechanical property was evaluated by the Vickers hardness test. During compression, extension twins nucleated, grew, and engulfed the grain. Twins form a texture with the c-axis parallel to the compression direction. With the massive nucleation and expansion of extension twins during compression, the twin boundary (TB) brought the grain refinement, and the twin boundary-dislocation interaction significantly increased the strain hardening rate of ZK60 Mg alloy, both leading to its significantly increasement of the hardness. Full article

The mechanical properties of commercially pure titanium can further be improved through the grain refinement processes; however, welding fine-grained materials is challenging due to the grain coarsening in the weld area and hence the weakening of the mechanical properties locally. Meanwhile, friction stir welding is a promising process in which the metallurgical bonding is established through the solid-state mechanical mixing of materials to be welded; no studies have reported friction stir welding of the ultra-fine-grained commercial purity titanium to date. In this research, friction stir welding of fine-grained and ultra-fine-grained commercially pure titanium (1.58 and 0.66 μm, respectively) was conducted. The effect of the microstructural feature of base metals on the microstructural evolution of the stir zone and the feasibility of the friction stir welding process for those materials were discussed. It was found that the fraction of twin boundaries in ultra-fine-grained material was higher than in fine-grained material. It accelerated dynamic recrystallization and recovery in the stir zone, hence inducing the grain coarsening and the loss of ultra-fine-grained structure and character after welding. Full article

Owing to the excellent mechanical properties of the Ti₃Al alloy, the study of its microstructure has attracted the extensive attention of researchers. In this study, a Ti₃Al alloy was grown based on molecular dynamics using a decahedral precursor. Face centered cubic nanocrystals with tetrahedral shapes were formed and connected by twin boundaries (TBs) to form penta twins. To understand the shear response of the Ti₃Al alloy with multiple and penta twins, a shear load perpendicular to the Z-axis was applied to the quenched sample. The TBs slipped as Shockley dislocations commenced and propagated under shear loading, causing the detwinning of the penta twins and the failure of the system, indicating that the plastic deformation had been due to Shockley dislocations. The slip mechanism of multi-twinned structures in the Ti₃Al alloy is discussed in detail. This study would serve as a useful guide for the design and development of advanced alloy materials. Full article

The hollow twin-web disk is designed to improve the thrust-to-weight ratio of the aero engine, where the welding joint microstructures determine the disk’s mechanical properties. This study aimed to elucidate the effect of abnormal grains formed in the welding region on the mechanical properties of FGH96 solid-state diffusion bonding joints. Digital image correlation using images captured by scanning electron microscopy (SEM-DIC) and electron backscattering diffraction (EBSD) technologies were applied. The results show that abnormally large grains (2.5 times that of the matrix), with preferred orientation in the bonding region, were detrimental to the joint mechanical properties. The yield and tensile strengths were 995.85 MPa and 1456.67 MPa, respectively, and the corresponding relative (ratio to the matrix) ones were 92.54% and 88.81%. After modifying the bonding process, the grain size in the bonding region was tailored to close to that of the matrix, and considerable twin boundaries (TBs) formed, leading to the relative tensile and yield strength reaching 98.86% and 99.37%. Furthermore, the failure mode changed to intragranular type from intergranular type. It demonstrates that tailoring the newborn grain size, introducing TBs inside, and eliminating preferred orientation during the welding process can be an efficient way to improve the joint mechanical properties. Full article

Twinning is a critical deformation mode in Mg alloys. Understanding deformation twinning (DT) is essential to improving mechanical properties of Mg alloys. To address the experimentally observed conspicuous hardening effects in Mg-1.8Zn-0.2Ca alloys, interactions between the {10–12} twin boundaries (TBs) and solute clusters in Mg-Zn-Ca alloys were examined via molecular dynamics (MD) simulations. We find that the Zn/Ca-containing clusters show different hindering effects on TBs and an increment in the applied shear stress of 100 MPa is required to accomplish the interaction between the boundary and the cluster with Ca content > 50 at%. The cluster hardening effects on twinning are positively correlated to the Ca content and the size of the clusters in Mg-Zn-Ca alloys. Full article

Two finite element level-set (FE-LS) formulations are compared for the modeling of grain growth of 316L stainless steel in terms of grain size, mean values, and histograms. Two kinds of microstructures are considered: some are generated statistically from EBSD maps, and the others are generated by the immersion of EBSD data in the FE formulation. Grain boundary (GB) mobility is heterogeneously defined as a function of the GB disorientation. On the other hand, GB energy is considered as heterogeneous or anisotropic, which are, respectively, defined as a function of the disorientation and both the GB misorientation and the GB inclination. In terms of mean grain size value and grain size distribution (GSD), both formulations provide similar responses. However, the anisotropic formulation better respects the experimental disorientation distribution function (DDF) and predicts more realistic grain morphologies. It was also found that the heterogeneous GB mobility described with a sigmoidal function only affects the DDF and the morphology of grains. Thus, a slower evolution of twin boundaries (TBs) is perceived. Full article

Dislocation interactions with twin boundary (TB) have been well-established in nanotwinned metals. Penta-twins, as an extreme of crystal twinning, are tacitly assumed to be more effective at blocking dislocation motions than conventional single or coplanar nanotwins. However, the mechanism underlying the interactions between dislocations and penta-twins remains largely unclear. Here, by combining in situ transmission electron microscope (TEM) nanomechanical testing and atomistic simulations, we rationalize the fundamental interactions between dislocations and penta-twins in Au nanocrystals. Our results reveal that the interactions between dislocations and penta-twins show some similar behaviors to the ones in the cases of coplanar nanotwins, including dislocation impedance at TBs, cross-slip into the twinning plane and transmission across the TB. In addition, penta-twins also exhibit some unique behaviors during dislocation interactions, including multiple cross-slip, dislocation-induced core dissociation and climb-induced annihilation/absorption at the penta-twin core. These findings enhance our mechanistic understanding of dislocation behaviors in penta-twins, shedding light on the accessible design of high-performance nanomaterials with multi-twinned nanostructures. Full article

In this work we create in 10 M Ni-Mn-Ga martensitic samples special martensitic variant structures consisting of only three twins separated by two a/c twin boundaries: Type I and Type II, with relatively low and very high mobility, respectively. The “domain engineered” structure thus created allows us to investigate the dynamics of a single highly mobile a/c twin boundary (TB). We show that temperature variations between 290 and 173 K in our samples induce an intense transitory internal friction at ultrasonic frequencies ca. 100 kHz, peaking around 215 K. A comparison is made of the data for the “domain engineered” sample with the behaviour of reference samples without a/c TB. Reference samples have two different orientations of a/b twins providing zero and maximum shear stresses in a/b twinning planes. We argue, first, that the transitory internal friction, registered at rather high ultrasonic frequencies, has magnetic origin. It is related with the rearrangement of magnetic domain structure due to the motion of a/c twin boundary induced by thermal stresses. This internal friction term can be coined “magnetic transitory internal friction”. Magnetic transitory internal friction is a new category, linking the classes of transitory and magnetomechanical internal friction. Second, the structure of a/b twins is strongly non-equilibrium over a broad temperature range. As a consequence, the Young’s modulus values of the samples with maximum shear stress in a/b twinning planes can take any value between ca. 15 and 35 GPa, depending on the prehistory of the sample. Full article