Multiple Twin Boundaries Research Articles

A 3D characterization of equiaxed grains induced by mediated nucleation in additively manufactured Inconel 718

In additive manufacturing of Ni-based alloy IN718, what causes Icosahedral Short-Range Order (ISRO) or iQC mediated nucleation of equiaxed grains is still not understood. In order to have a better comprehension of the microstructure formation, a more comprehensive characterization both on grain structure and chemical heterogeneities must be achieved. In this work, a scanning electron microscope equipped with a focused ion beam (FIB) allowed to perform a 3D EDS chemical analysis and EBSD orientation mapping of the volume in an equiaxed grain zone. After the 3D reconstruction of the equiaxed grains has been performed, grain-to-grain orientation analysis allowed to analyze multiple twin boundaries orientation relationships in a volume containing hundreds of grains. Chemical mapping using EDS allowed to identify TiC inclusions from which a five-fold symmetry axis seem to emerge, indicating a potential nucleation site. Such areas were analyzed in transmission electron microscopy (TEM) to investigate the different present phases. The nucleation sequence and potential origin of mediated nucleation are further discussed, opening new prospects for grain refinement in additively manufactured nickel-based alloys.

Atomistic Simulations of Twin Boundary Effect on the Crack Growth Behaviour in BCC Fe

In this paper, the effect of twin boundaries on the crack growth behaviour of single crystal BCC Fe has been investigated using molecular dynamics simulations. The growth of an atomically sharp crack with an orientation of (111)$<$110$>$ (crack plane/crack front) has been studied under mode-I loading at constant strain rate. In order to study the influence of twin boundaries on the crack growth behaviour, single and multiple twin boundaries were introduced perpendicular to crack growth direction. The results indicate that the (111)$<$110$>$ crack in single crystal BCC Fe grows in brittle manner. However, following the introduction of twin boundaries, a noticeable plastic deformation has been observed at the crack tip. Further, increasing the number of twin boundaries increased the amount of plastic deformation leading to better crack resistance and high failure strains. Finally, an interesting relationship has been observed between the crack growth rate and flow stress.

Molecular dynamics simulation of microstructure evolution during the fracture process of nano-twinned Ag

In this paper, the evolution of microstructure and the role of twin boundary during the fracture process of nano-twinned Ag are studied through molecular dynamics simulation. The fracture process of nano-twinned Ag with multiple twin boundaries is compared with both the fracture process of single crystal Ag and nano-twinned Ag with single twin boundary. Results demonstrate that multiple twin boundaries can significantly improve the strength of material by influence the propagation of crack and dislocation as observed by experiments. By comparing the stress–strain relationship and evolution of microstructure, we found that the elastoplastic transition in single crystal Ag is characterized by dislocation emission from the crack tip, while the elastoplastic transition in nano-twinned Ag is characterized by dislocation crossing the twin boundary. According to crack-resistance curves and observation results of microstructure evolution, multiple twin boundaries can significantly improve the fracture toughness of nano-twinned Ag compared to single twin boundary. The role of twin boundary in the fracture process is mainly to influence the propagation of crack and dislocation. The crack tip in single crystal Ag gradually gets blunt with the nucleation and emission of dislocations, while the crack in nano-twinned Ag propagates by cleavage. To explain this phenomenon, the generalized stacking fault energies and surface energies of both nano-twinned Ag and single crystal Ag are calculated and compared. It is shown that twin boundary can influence the energy barrier for atomic slip while have no influence on the generation of fracture surface. Twin boundary can also change the propagation direction of dislocations and stacking faults. Stacking faults propagate along (111) planes in matrix grain and propagate along (111¯) planes in twin grain, showing a tortuous shape. In this process, dislocations accumulate on the twin boundary, leading to high local dislocation density and high strength of nano-twinned material, which is agreement with experiments and simulations. Our study is helpful for understanding the relationship between microscopic deformation and macroscopic properties of nano-twinned crystal material.

Microstructure evolution and kinetic laws for the motion of multiple twin boundaries in Ni–Mn–Ga

The motion of individual twin boundaries in ferromagnetic Ni–Mn–Ga alloys is the basic mechanism by which large reversible strains are generated. The resulting mechanical response makes these alloys potential candidates for magneto-mechanical actuation applications. In this work, we characterize the relations between the magnetically induced strain response of Ni–Mn–Ga single crystals and their internal twin boundary arrangements and kinetics. The macroscopic response is measured under constant magnetic fields, while the kinetics of individual twin boundaries is measured by the pulsed magnetic field method. By testing two different crystals with different twinning microstructures, we show that the main characteristics of the macroscopic response can be controlled by the number of mobile twin boundaries. In addition, we show that the magnitudes of controlling kinetic parameters of different twin boundaries vary with their location within the sample.

Tunable synthesis of multiply twinned intermetallic Pd3Pb nanowire networks toward efficient N2 to NH3 conversion

Tunable synthesis of intermetallic Pd3Pb nanowire networks with multiple twin boundaries, a porous structure and advanced N2 electroreduction performance.

Atomistic Simulation of the Rate-Dependent Ductile-to-Brittle Failure Transition in Bicrystalline Metal Nanowires

The mechanical properties and plastic deformation mechanisms of metal nanowires have been studied intensely for many years. One of the important yet unresolved challenges in this field is to bridge the gap in properties and deformation mechanisms reported for slow strain rate experiments (∼10-2 s-1), and high strain rate molecular dynamics (MD) simulations (∼108 s-1) such that a complete understanding of strain rate effects on mechanical deformation and plasticity can be obtained. In this work, we use long time scale atomistic modeling based on potential energy surface exploration to elucidate the atomistic mechanisms governing a strain-rate-dependent incipient plasticity and yielding transition for face centered cubic (FCC) copper and silver nanowires. The transition occurs for both metals with both pristine and rough surfaces for all computationally accessible diameters (<10 nm). We find that the yield transition is induced by a transition in the incipient plastic event from Shockley partials nucleated on primary slip systems at MD strain rates to the nucleation of planar defects on non-Schmid slip planes at experimental strain rates, where multiple twin boundaries and planar stacking faults appear in copper and silver, respectively. Finally, we demonstrate that, at experimental strain rates, a ductile-to-brittle transition in failure mode similar to previous experimental studies on bicrystalline silver nanowires is observed, which is driven by differences in dislocation activity and grain boundary mobility as compared to the high strain rate case.

Three-Dimensional Array of TiN@Pt3Cu Nanowires as an Efficient Porous Electrode for the Lithium-Oxygen Battery.

The nonaqueous lithium-oxygen battery is a promising candidate as a next-generation energy storage system because of its potentially high energy density (up to 2-3 kW kg-1), exceeding that of any other existing energy storage system for storing sustainable and clean energy to reduce greenhouse gas emissions and the consumption of nonrenewable fossil fuels. To achieve high round-trip efficiency and satisfactory cycling stability, the air electrode structure and the electrocatalysts play important roles. Here, a 3D array composed of one-dimensional TiN@Pt3Cu nanowires was synthesized and employed as a whole porous air electrode in a lithium-oxygen battery. The TiN nanowire was primarily used as an air electrode frame and catalyst support to provide a high electronic conductivity network because of the high-orientation one-dimensional crystalline structure. Meanwhile, deposited icosahedral Pt3Cu nanocrystals exhibit highly efficient catalytic activity owing to the abundant {111} active lattice facets and multiple twin boundaries. This porous air electrode comprises a one-dimensional TiN@Pt3Cu nanowire array that demonstrates excellent energy conversion efficiency and rate performance in full discharge and charge modes. The discharge capacity is up to 4600 mAh g-1 along with an 84% conversion efficiency at a current density of 0.2 mA cm-2, and when the current density increased to 0.8 mA cm-2, the discharge capacity is still greater than 3500 mAh g-1 together with a nearly 70% efficiency. This designed array is a promising bifunctional porous air electrode for lithium-oxygen batteries, forming a continuous conductive and high catalytic activity network to facilitate rapid gas and electrolyte diffusion and catalytic reaction throughout the whole energy conversion process.

Concave and duck web-like platinum nanopentagons with enhanced electrocatalytic properties for formic acid oxidation

Pt-branched structures featuring concave and duck web-like nanopentagons with high-energy {110} and {554} facets, multiple twin boundaries, duck web-like edges and inherent anisotropic branches are prepared.

Formation of fivefold deformation twins in an ultrafine-grained copper alloy processed by high-pressure torsion

Fivefold deformation twins (DTs) are formed in an ultrafine grain, with a size of ∼100 nm, of a Cu–16 at.% Al alloy processed by high-pressure torsion. Formation occurs through the sequential emission of partial dislocations from grain boundaries and other multiple twin boundaries. These observations confirm the emission of partial dislocations from multiple-fold nodes which can be attributed to increased twinnability via the introduction of Al atoms which lower the driving force for partial emission.

Passivity of polycrystalline NiMnGa alloys for magnetic shape memory applications

The corrosion and passivation behaviour of bulk polycrystalline martensite Ni 50Mn 30Ga 20 and austenite Ni 48Mn 30Ga 22 alloys was compared in electrolytes with different pH values. Linear anodic and cyclic potentiodynamic polarisation methods and anodic current transient measurements have been conducted for the alloys and their constituents to analyze free corrosion, anodic dissolution and passive layer formation processes. Electrochemically treated alloy surfaces were characterized with scanning electron microscopy (SEM) and angle-resolved x-ray photoelectron spectroscopy (XPS). The electrochemical response of both alloys is in principal similar and is dominated by the Ni oxidation. In acidic solutions (pH 0.5 and 5) a slightly higher reactivity is detectable for the martensitic alloy which is mainly attributed to enhanced dissolution processes at the multiple twin boundaries. In weakly acidic to strongly alkaline solutions (pH 5–11) both alloys exhibit a low corrosion rate and a stable anodic passivity. While air-formed films comprise NiOOH, Ga 2O 3 and MnO 2, passive films formed in near neutral media (pH 5–8.4) are composed of Ni(OH) 2, NiOOH and Ga 2O 3 in the outer region and of NiO, MnO 2 and MnO in the metal-near region.

Effect of ferroelastic twin walls on local polarization switching: Phase-field modeling

Local polarization switching in epitaxial ferroelectric thin films in the presence of ferroelastic domain walls was studied using phase-field approach. The nucleation bias profile across a twin wall was analyzed, and the localization of preferential nucleation sites was established. This analysis was further extended to a realistic domain structure with multiple twin boundaries. It was observed that the local nucleation voltage required for a 180° domain switching is closely related to the number of such local defects.

Mechanism for the Pseudoelastic Behavior of FCC Shape Memory Nanowires

Pseudoelasticity and shape memory have been recently discovered in single-crystalline FCC nanowires of Cu, Ni, Au and Ag. The deformation mechanism responsible for this novel behavior is surface-stress-driven reorientations of the FCC lattice structure. A mechanism-based continuum model has been developed for the lattice reorientation process during loading through the propagation of a single twin boundary. Here, this model is extended to the nucleation, propagation and annihilation of multiple twin boundaries associated with the reverse reorientation process during unloading. The extended model captures the major characteristics of the loading and unloading behavior and highlights the dominating effect of the evolution of twin boundary structure on the pseudoelasticity.

Electronic properties of nanoscale multiple twin boundaries in indirect-gap AlGaAs

Electronic properties of nanoscale multiple twin boundaries in indirect-gap AlGaAs epilayers were studied by cathodoluminescence (CL) spectroscopy in a transmission electron microscope. The twin boundaries emitted a monochromatic CL light polarized parallel to the boundaries. The intensity and the photon energy of the CL light were examined at different temperatures with different electron fluxes. The origin of the light emission was discussed in terms of the twinning superlattice model.

Elastic deformation and stabilityin pentagonal nanorods with multiple twin boundaries

In this paper we calculate and discuss the elastic deformation in a new kind of nanorod,a pentagonal rod with multiple twin boundaries, on the basis of elastic theory.Present theory shows that the central part of the pentagonalrod is highly compressed whereas the outer part is tensioned. Theaverage bond length in the central part is about 1-2% shorterthan that in the outer part. Present theory also indicates thatthe nanorod structure is metastable and will disppear at acertain critical size (around several tens of nanometres).

HREM study of disclinations in MgCd ordered alloy

Multiple twin boundaries are investigated by HREM for the MgCd ordered alloy. Multiple intersection of twin boundaries exists in the crystal without any relaxation due to lattice dislocations. This intersection is recognized as one of the linear defects, called a disclination. The strain field around a disclination is relaxed by making one or more nearby disclinations opposite in sign. HREM investigation makes it possible not only to determine the types of the disclination but also to confirm crystals not having the lattice dislocations. A tripole-star pattern is found to be a disclination and is constructed in order to compensate for the strain energy of the disclination. Disclinations are likely to distribute to make multipoles in the crystal.