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Low-temperature, low-pressure Cu-to-Cu direct bonding technology is a promising solution for next-generation high-density interconnects. Previous studies have shown that many properties of nanomaterials are determined by their structural characteristics. Therefore, the effect of the nanostructure (i.e., twin crystal and twin boundary, TB, sizes) on the bonding mechanism and mechanical response of the direct bonding of (111)-oriented nanotwinned Cu (NT-Cu) is studied using molecular dynamics simulations, where TB size means the TB layer thickness in terms of the number of atoms. The simulation results show that NT-Cu with extremely small twin crystals (e.g., 0.625 nm) have poor diffusivity. The number of dislocations induced by plastic deformation increases with increasing twin crystal size during stretching processes, degrading mechanical strength. The strain hardening of bonded NT-Cu with extremely small twin crystals (e.g., 0.625 nm) is dominated by the strong barrier created by a high density of TBs, whereas that with twin crystal sizes of 2.5–10 nm is dominated by dislocation–TB and dislocation–grain boundary interactions. Bonded NT-Cu with 2–6 atoms per TB layer exhibits softening at initial plastic deformation due to the onset of partial collapse of TBs; however, the strength then significantly increases with a further increase in strain due to strain hardening. [ABSTRACT FROM AUTHOR]

The microstructure evolution due to the tensile deformation of the equiatomic quinary high-entropy alloy Ho-Dy-Y-Gd-Tb (HEA-Fb) is assessed. HEA-Fb has extraordinarily similar alloying elements. It is one of the few hexagonal-close-packed single-phase representatives of HEA. HEA-Fb is compared to the equiatomic quaternary medium-entropy alloy (MEA) Ho-Dy-Gd-Tb with no Y (4-Y). For a hexagonal HEA, in contrast to the cubic HEA, little information on plastic deformation and underlying mechanisms is available. A detailed study using electron microscopy-based multi-scale characterization (SEM, S/TEM, and STEM-EDS) explains significant differences between the ductile behavior of the quaternary MEA 4-Y and the brittle behavior of the quinary HEA-Fb at room temperature. Twinning during plastic deformation is decisive for ductility, which challenges the widely discussed high-entropy effect on the mechanical behavior of the HEA. For the quaternary MEA 4-Y, a twinning-induced plasticity effect is found. In the latter, oxidized twins are present in the undeformed state. In both alloys, the twin orientations are indexed as [ 2 ¯ 201 ] , while the matrices have the perpendicular [ 11 2 ¯ 0 ] orientation. Additionally, the analysis of twin structures confirms the importance of twin boundaries as obstacles for dislocations and stacking fault mobilities. The results are discussed in the context of the existing knowledge gaps in the field of hexagonal MEAs and HEAs. [ABSTRACT FROM AUTHOR]

Understanding of dynamical responses and mechanical characteristics of metals and alloys at high strain rates holds significant importance in fundamental physics and optimizing the performance capabilities of materials. During high-speed impact scenarios, materials may be subjected to high pressure and plastic deformation, which have the potential to modulate their mechanical attributes. In this study, high-speed planar impact experiments were conducted to investigate the progressive alterations in the microstructures and mechanical properties in coarse-grain body-centered cubic (bcc) iron subjected to high-strain-rate (approximately 2.60–3.89 × 106 s−1) impact reaching approximately 15 GPa in a one-stage light-gas gun. The nanoindentation tests show that the nano-hardness of the post-shock iron improves 1.5 times from approximately 1.75–2.70 GPa. Microscopic analyses of the post-shock bcc-iron show no significant grain refinement but a noticeable increase in the twin boundaries (TBs) and low angle grain boundaries (LAGBs) proportion with increasing shock pressure. Therefore, the interaction between TBs, LAGBs, and dislocations in post-shock iron grains plays an important role in mediating its mechanical properties. Our findings serve as possible guidance for exploring the mechanical properties of single-crystalline and poly-crystalline iron-based materials, such as steel, with optimized mechanical performance. [ABSTRACT FROM AUTHOR]

Understanding the mechanical behavior of nanotwinned materials in alloys is essential, particularly in relation to solute-influenced twin boundary (TB) migration. This research employs atomistic simulations and theoretical analysis to explore the influence of solute atoms on TB migration in CuAg alloys. Contrary to conventional beliefs, simulations reveal that solute Ag atoms enhance TB migration, challenging established perceptions. Nudged elastic band calculations confirm that Ag solutes substantially reduce energy barriers, shedding light on the mechanism driving solute-enhanced TB migration. This work opens novel avenues for investigating point defect impacts on TB mobility, offering insights into alloy element roles in grain boundary migration and polycrystalline material properties. [ABSTRACT FROM AUTHOR]

Depending on whether the experiments are quasi-static or fast dynamics, the measured twin boundary velocity values range from zero to the material's sound speed. The twin boundary velocity is not yet predicted theoretically in the continuum mechanics framework. The extension of continual description is provided in the paper by means of internal variables. It is shown that a diffusional slow motion of twin boundaries can be represented using a single internal variable. The dual internal variable technique is employed for the description of the fast dynamics of twin boundaries. [ABSTRACT FROM AUTHOR]

Sphalerite (ZnS) is a sulfide found in a large variety of ore deposits and is frequently hosted in metamorphic terranes that have undergone deformation and related recrystallization. However, the deformation mechanisms of sphalerite are still poorly understood because recrystallization evidence is barely visible under an optical microscope and may reflect complex and frequently multistage mechanisms. Furthermore, sphalerite may host up to a few thousands of parts per million of critical metals such as gallium (Ga), germanium (Ge), and indium (In). Metamorphic conditions and dynamic recrystallization may have induced local or total redistribution of these elements. Modern techniques such as electron backscattered diffraction analyses (EBSD) and laser-induced breakdown spectroscopy (LIBS) applied on sphalerite allow for the examination of grain boundaries, crystal-plastic deformation, and internal chemical diffusion, which classically reflect active deformation mechanisms. In this study, a microstructural and in situ chemical comparison between four sphalerite types (types 1, 2, 3, and 4) has been made for the first time. The four sphalerite types present different deformation imprints, although they are hosted in a similar geological setting: the Pyrenean Axial Zone and the Montagne Noire Variscan massifs (France). Based on EBSD and LIBS mapping, we describe two regional sphalerite growth stages composed of dark red crystals with polygonal shape (type 1, Bentaillou-Liat deposit) and light- to dark-brown euhedral crystals (type 3, Saint Salvy deposit). New investigation at microscale on sphalerite grains from the Saint-Salvy deposit shows late Cu-Ge-Ga enrichment not only in specific sector zonings but also along grain boundaries, growing crystal edges, and in low-angle misorientations or twin boundaries. Following a deformation event that probably occurred during the Pyrenean-Alpine orogeny, these two sphalerite mineralizations have both endured plastic deformation in a dislocation creep regime and dynamically recovered by subgrain rotation (SGR) mechanism. Two mechanisms of Cu-Ga-Ge spatial redistribution are observed and are key processes for the crystallization of Cu-Ga-Ge-rich minerals in sphalerite veins. The first mechanism involved the in situ redistribution of Cu-Ga-Ge contents from a pre-existing concentration in the sphalerite lattice (type 3, Arre deposit), creating Ge-sulfides (briartite), probably during Pyrenean-Alpine orogeny. Formation of this type of Ge-mineral may be related to solid-state diffusion processes. The second mechanism is associated with the circulation of a Cu-Ga-Ge-rich fluid in surrounding rocks. In the pre-existing polygonal sphalerite from Late-Variscan veins (type 2, Pale Bidau deposit), millimeter-size bands of small (<50 μm), recrystallized sphalerite grains are locally observed. Those domains contain inclusions of Cu (chalcopyrite) and Ga and Ge minerals (brunogeierite, carboirite). Fluid-induced diffusion in the polygonal sphalerite aggregates may occur with superimposed dynamic recrystallization, such as the Late-Variscan veins (type 2, Pale Bidau-type). During post-Variscan time, this fluid enriched in Cu-Ga-Ge largely circulated in the upper-crust of this Variscan terrane. This study highlights the key importance of coupled textural (EBSD) and in situ chemical analyses (LIBS) of diverse sphalerite types at a regional scale to indirectly unravel the origin of vein mineralization, and their related critical metal distribution. [ABSTRACT FROM AUTHOR]

Nano‐twinned Cu pillar is fabricated on an as‐electroplated nano‐twinned Cu film, which preferentially grew in the {111} plane family. With a nano‐indentation device (Picoindenter), a vertical ultrahigh pressure of 5100 MPa is applied to the nano‐twinned Cu pillar. The twin lamellar grain is greatly deformed under that ultrahigh external stress. Consequently, the top surface plane is pressed into the lattice beneath to continuously form edge dislocations. Those dislocations are driven along the possible slip systems toward the outer surface of the first matrix lamella, corresponding to the plastic deformation. A dislocation‐mediated mechanism is proposed to explain the plastic deformation of the nano‐twinned Cu pillar. Three types of slip systems are identified for the created dislocations, each resulting in either the displacement on the first matrix lamellar grain or cross‐slip on the twin boundary. At the ultrahigh external pressure, as the dislocations slide through the twin boundary, they would dissociate to Shockley partial dislocations and alter the stacking sequence in the twin boundary, creating stacking faults. The resultant stacking faults in the twin boundary are observed in the transmission electro microscopy (TEM) lattice images. [ABSTRACT FROM AUTHOR]

The twin boundaries and inherent lattice strain of five-fold twin (5-FT) structures offer a promising and innovative approach to tune nanocrystal configurations and properties, enriching nanomaterial performance. However, a comprehensive understanding of the nonclassical growth models governing 5-FT nanocrystals remains elusive, largely due to the constraints of their small thermodynamically stable size and complex twin configurations. Here, we conducted in situ investigations to elucidate the atomic-scale mechanisms driving size-dependent and twin configuration-related aggregation phenomena between 5-FT and other nanoparticles at the atomic scale. Our results reveal that surface diffusion significantly shapes the morphology of aggregated nanoparticles, promoting the symmetrical formation of 5-FT, especially in smaller nanoparticles. Moreover, the inherent structural characteristics of 5-FT mitigate the dominance of surface diffusion in its morphological evolution, retarding the aggregation evolution process and fostering intricate twin structures. These findings contribute to advancing our capacity to manipulate the configuration of twinned particles, enabling more predictable synthesis of functional nanomaterials for advanced engineering applications. The mechanisms underlying the nonclassical growth of penta-twinned gold nanocrystals remain unclear. Here, the authors elucidate the atomic-level processes that drive size-dependent and twin configuration-related aggregation phenomena. [ABSTRACT FROM AUTHOR]

Wide bandgap orthorhombic polymorph of gallium oxide (κ‐Ga2O3) possessing a high spontaneous polarization grown on wurtzite‐type semiconducting substrates is considered to create a high mobility electron channel suitable for applications. Such κ‐Ga2O3 layers are composed of hexagon microprisms whose properties affect the lateral electric conductance. In this work, the structure and recombination properties of extended defects in individual “suspended” thin microprisms are investigated with transmission and scanning electron microscopy techniques (STEM, HR‐TEM) including cathodoluminescence (CL‐SEM). It is established that the microprism is composed of six equisized orthorhombic domains bounded by twin domain boundaries (TDBs) along the directions <110>. Twin domain contains a parallel array of antiphase boundaries (APB) of a high density stretched in the [010] direction. APBs possess steps or interruption and can form double oppositely shifted spatially separated layers (APB dipoles). TDBs on majority of their length are incoherent and serve as the border for the APB terminations. Panchromatic CL maps reveal either enhanced or reduced intensity of APB without noticeable spectral changes. CL intensity enhancement is proposed to be due to enhanced electron–hole generation caused by excess scattering of primary electron beam by APBs in thin films while, in fact, APB exhibits enhanced nonradiative recombination activity. [ABSTRACT FROM AUTHOR]

Na‐ion batteries (NIBs) have received considerable attention as promising alternatives to lithium‐ion batteries, particularly for low‐speed electric vehicles and large‐scale energy storage applications. Currently, layered oxide compounds are considered the most important cathode materials for NIBs. However, they suffer from reduced capacity and a shortened lifespan when exposed to water vapor during storage or battery assembly. This article elaborates on the structural and chemical evolution of NaNi1/3Fe1/3Mn1/3O2 (NFM) cathode at the atomic scale in a pure water vapor environment. The Na+/H+ exchange induces the formation of a spinel‐like phase via a multi‐site nucleation mechanism. This transition preferentially occurs either at the cathode surface or along planar defects such as twin boundaries and grain boundaries. Additionally, numerous microcracks perpendicular to <003> direction appear inside NFM grains, further exacerbating the structural deterioration. Upon prolonged exposure to water vapor, NFM grains decompose into a mixture of Na2O and transition metal oxide nanoparticles (FeO, NiO, and MnO), accompanied by the generation of oxygen gas. This research provides a comprehensive atomic‐scale insight into the water vapor instability mechanism of layered oxide cathodes, offering guidance for the design and manufacture of the next generation of water vapor‐tolerant layered oxide cathodes in NIBs. [ABSTRACT FROM AUTHOR]

1D grain boundaries in transition metal dichalcogenides (TMDs) are ideal for investigating the collective electron behavior in confined systems. However, clear identification of atomic structures at the grain boundaries, as well as precise characterization of the electronic ground states, have largely been elusive. Here, direct evidence for the confined electronic states and the charge density modulations at mirror twin boundaries (MTBs) of monolayer NbSe2, a representative charge‐density‐wave (CDW) metal, is provided. The scanning tunneling microscopy (STM) measurements, accompanied by the first‐principles calculations, reveal that there are two types of MTBs in monolayer NbSe2, both of which exhibit band bending effect and 1D boundary states. Moreover, the intrinsic CDW signatures of monolayer NbSe2 are dramatically suppressed as approaching an isolated MTB but can be either enhanced or suppressed in the MTB‐constituted confined wedges. Such a phenomenon can be well explained by the MTB‐CDW interference interactions. The results reveal the underlying physics of the confined electrons at MTBs of CDW metals, paving the way for the grain boundary engineering of the functionality. [ABSTRACT FROM AUTHOR]

The primary objective of this study is to investigate the corrosion resistance of Fe‐36Ni Invar alloys with varying Mg contents in a 3.5 wt% sodium chloride solution. The electrochemical results reveal that the incorporation of Mg amplified the corrosion behavior of Fe‐36Ni Invar alloy. The inclusion compositions undergo a transformation with the increase of Mg content, evolving from MnO–MnS in 0 Mg alloy to MnO–MnS–MgO in 0.0015 Mg alloy, and ultimately to MnS–MgO–MgS in 0.0030 Mg alloy. During the corrosion process, the small‐sized MnS–MgO–MgS inclusions exhibit greater stability compared to the MnO–MnS inclusions, rendering them less susceptible to attack and dissolution. Adding Mg diminishes the size and number density of inclusions, which effectively decreases the susceptibility to pitting initiation. The introduction of Mg refines the microstructure and elevates the fraction of twin boundaries, which also is responsible for the enhancement of corrosion resistance. [ABSTRACT FROM AUTHOR]

Ti48Al2Cr2Nb high-temperature alloy consisting of γ and α 2 phases, whose room-temperature brittleness limits its use in other lower temperature ranges, has been laser shocked to improve its surface properties. The study of the shock response and plastic deformation behaviour of material then provides further insight into the laser shock peening mechanism. In this paper, the molecular dynamics method and piston impact method are used to simulate laser shock peening of lamellar two-phase TiAl alloys to study the shock response and plastic deformation of material at different shock velocities, as well as the effects of shock velocity and two-phase interface on them. The results show that, in terms of shock response, the location of elastic–plastic wave separation as well as the atomic velocity and stress magnitude are affected by the shock velocity, elastic strain energy and interfacial energy, and some of stresses change significantly at the semi-coherent interface. At lower shock velocities, it is mainly stacking faults and twin boundaries in γ phase that initiate phase transitions across the interface to the α 2 phase, whereas at higher velocities, in addition to earlier α 2 phase transitions, clustered amorphous atoms and intermediate phases are also observed. The dislocations at the semi-coherent interfaces are affected by both interface type and shock velocity. The mechanical properties of lamellar two-phase TiAl are improved by the effect of laser shock at different shock velocities. These results provide experimental and theoretical guidance for improving the room-temperature properties of two-phase TiAl alloys. [ABSTRACT FROM AUTHOR]

The lattice mismatch between γ-CuI and Al2O3 (sapphire) is as large as 27.1% due to differences in crystal systems and lattice constants. To achieve epitaxial growth on the initial surface of the substrate, lattice mismatch can be minimized through domain matching. In this work, the γ-CuI film was epitaxially grown on the Al2O3(001) substrate by employing the physical vapor transport technology. The morphology, structure, and rotation domain matching of the films were investigated via SEM, XRD, electron backscatter diffraction, and STEM/TEM. The results revealed that the film grew preferentially along the (111) plane, and the full width at half maximum of the (111) diffraction peak in the rocking curve was 0.45°, which indicated the high degree of crystallinity of the film. The surface of the γ-CuI film exhibited two kinds of triangular crystal domains with a relative rotation angle of ∼60°. The interior of the crystal domains possessed a step-like structure. The two types of triangular crystal domains in the film were attributed to different rotation domains, and the interface was ascribed to the ⟨111⟩ 60° twin boundaries. The epitaxial matching mode was found to be CuI ⟨11 2 ̄ ⟩ (111)//Al2O3 [ 1 ̄ 1 ̄ 0] (001), resulting in ∼4.6% lattice mismatch between γ-CuI and Al2O3 along the Al2O3 ⟨ 1 ̄ 10 ⟩ direction, which is significantly lower than previously reported data. [ABSTRACT FROM AUTHOR]

The microstructure–texture–tensile property relationships in a Ni‐containing medium‐Mn steel (Ni‐MMS), subjected to limited thermomechanical processing steps (i.e., hot forging and hot rolling), have been established in this study. The microstructure of the specimens hot rolled (HR) at 1173 (HR‐1173K) and 1373 K (HR‐1373K) exhibits ferrite and austenite phases. The austenite phase fraction in the HR‐1173K specimen is found to be higher than the HR‐1373K condition. The volume fraction of austenite to martensite transformation during tensile testing is also observed to be higher in the HR‐1173K specimen (≈13%) than the HR‐1373K condition (≈2%). This suggests the occurrence of more efficient transformation‐induced plasticity effect in the HR‐1173K specimen in comparison to the HR‐1373K condition, resulting in improved strength–ductility synergy in the former specimen. The smaller grain size of both the phases and higher fraction of twin boundaries as well the evolution of higher intensity γ‐fiber <111>//ND in the HR‐1173K specimen leads to better tensile properties. In addition, the overall activation of the primary slip systems (combination of face‐centered cubic and body‐centered cubic phases slip system), estimated through visco‐plastic self‐consistent simulation, is higher in HR‐1173K specimens, resulting in improved strain hardening response as compared to HR‐1373K one. [ABSTRACT FROM AUTHOR]

Through the experiments of indium phosphide (InP) crystal growth, it was found that InP crystals with twin-free or low twinning probability can be grown repeatedly in the range of 0-90° growth angles at a high temperature gradient and low growth rate. Based on the experimental phenomena, it is inferred that twin formation is mainly related to undercooling at the growth interface. A kinetic model for twin nucleation based on the morphologies of the triple junction (tri-junction) region has been proposed from the point of view of the nucleation kinetics of crystal growth. It is found that when the undercooling of facets exceeds a critical value, the probability of twin nucleation increases with the increase of undercooling. When the twin boundary energy is 0.5 mJ m-2, this critical value approaches 0.2 K. Based on this model, the comprehensive influence of interface morphologies, temperature gradients, and growth rates on twin nucleation was analyzed. In addition, the effects of temperature fluctuations, constitutional supercooling, impurities and dopants have also been well explained. By controlling the morphologies of the growth interface under low undercooling, InP single crystals with a diameter of 170 mm were prepared using a flat shoulder method. [ABSTRACT FROM AUTHOR]

Developing non‐platinum group metal catalysts for the sluggish hydrogen oxidation reaction (HOR) is critical for alkaline fuel cells. To date, Ni‐based materials are the most promising candidates but still suffer from insufficient performance. Herein, we report an unconventional hcp/fcc Ni (u‐hcp/fcc Ni) heteronanocrystal with multiple epitaxial hcp/fcc heterointerfaces and coherent twin boundaries, generating rugged surfaces with plenty of asymmetric convex sites. Systematic analyses discover that such convex sites enable the adsorption of *H in unusual bridge positions with weakened binding energy, circumventing the over‐strong *H adsorption on traditional hollow positions, and simultaneously stabilizing interfacial *H2O. It thus synergistically optimizes the HOR thermodynamic process as well as reduces the kinetic barrier of the rate‐determining Volmer step. Consequently, the developed u‐hcp/fcc Ni exhibits the top‐rank alkaline HOR activity with a mass activity of 40.6 mA mgNi−1 (6.3 times higher than fcc Ni control) together with superior stability and high CO‐tolerance. These results provide a paradigm for designing high‐performance catalysts by shifting the adsorption state of intermediates through configuring surface sites. [ABSTRACT FROM AUTHOR]

Boron carbide ceramics are potentially ideal candidates for lightweight bulletproof armor, but their use is currently limited by their low fracture toughness. Recent experimental results have shown that sintered samples with high twin densities exhibit high fracture toughness, but the toughening mechanism and associated crack propagation process of nanotwinned boron carbide at the atomic scale remain a mystery. Reported here are molecular dynamics simulations with a reactive force field potential to investigate how nanoscale twins affect the fracture toughness of boron carbide ceramics. The results show that the strength disparity on either side of a twin boundary is the fundamental reason for the toughening effect; the twin boundary impedes crack propagation only when the crack moves to a region of higher fracture strength. The fracture toughness of nanotwinned boron carbide is greatly affected by the angle between the twin boundary and the prefabricated crack. At an angle of 120°, the twin boundary provides the maximum toughening effect, enhancing the toughness by 32.72%. Moreover, phase boundaries—another common structure in boron carbide ceramics—have no toughening effect. This study provides new insights into the design of boron carbide ceramics with high fracture toughness. [ABSTRACT FROM AUTHOR]

The highly anisotropic crystal structure of β-Ga2O3 gives rise to a variety of crystal planes, among which the (310) plane is a potentially stable close-packed plane for the O sublattice. In this paper, we report the β-Ga2O3 single crystal and substrates with a (310) major plane grown by the spontaneous nucleation technique in the casting method. High-quality crystal growth and substrate processing were confirmed by the 25.67 arc sec full width at half maximum and the 0.25 nm surface roughness. The nanoindentation experiments revealed the (310) substrate's better elastic recovery than that of (100) substrate. The Young's modulus and hardness of (310) substrates were 200 and 7.6 GPa, respectively. The surface barrier height and the Schottky barrier height were 1.25 and 0.92 eV, respectively. First principles calculations identified the (310)-Ga-I plane as the most stable surface configuration of the (310) plane under oxygen-poor condition, with a surface energy density of 1.48 J/m2. The (310) twin boundary formation around the O sublattice has a high energy density of 0.55 J/m2, suggesting its unlikelihood of spontaneous formation. These properties of (310) plane facilitate a high-quality crystal processing and epitaxial growth, thus endowing potential applications in high-quality power devices. Furthermore, the growth and fabrication of the (310) plane provide a route toward understanding the properties of β-Ga2O3 and advancing the growth techniques of oxide crystals. [ABSTRACT FROM AUTHOR]

The development of highly efficient electrocatalysts for the ethanol oxidation reaction (EOR) is essential for the commercialization of direct ethanol fuel cells, yet challenges remain. In this study, a one‐pot solution‐phase method to synthesize Pd nanowire networks (NNWs) with very high surface‐to‐volume ratio having numerous twin and grain boundaries is developed. Using the same method, the Pd lattice is further engineered by introducing Ag and Cu atoms to produce AgPd, and CuPd alloy structure which significantly shifts the Pd d‐band center upward and downward, respectively due to strain and ligand effects. Theoretical analysis employing density functional theory (DFT) demonstrates that such modification of the d‐band center significantly influences the adsorption energies of reactants on the catalytic surface. Owing to their notably high surface‐to‐volume ratio and the presence of multiple twin and grain boundaries, Pd NNWs demonstrate significantly enhanced electrocatalytic activity toward EOR, ≈7.2 times greater than that of commercial Pd/C. Remarkably, compared to Pd NNWs, AgPd, and CuPd NNWs display enlarged and reduced electrocatalytic activity toward EOR, respectively. Specifically, Ag4Pd7 NNWs achieve a remarkable mass activity of 9.00 A mgpd−1 for EOR, which is 13.6 times higher than commercial Pd/C. [ABSTRACT FROM AUTHOR]

In recent years, revolutionary improvements in the properties of certain FCC metals have been achieved by increasing the proportion of twin-related, highly symmetric grain boundaries. Various thermomechanical routes of grain boundary engineering (GBE) processing have been employed to enhance the fraction of low ΣCSL grain boundaries, thereby improving the radiation tolerance of many polycrystalline materials. This improvement is due to symmetric twin boundaries acting as effective sinks for defects caused by radiation, thus enhancing the material's performance. In this study, the LPBF AlSi10Mg alloy was post-processed via the KOBO extrusion method. Subsequently, the samples were subjected to irradiation with Ar+ ions at an ion fluence of 5 × 1017 cm−2. The microstructures of the samples were thoroughly investigated using electron backscatter diffraction (EBSD), transmission electron microscopy (TEM), and high-resolution TEM (HRTEM). The results showed that KOBO processing led to the formation of an ultrafine-grained microstructure with a mean grain size of 0.8 µm. Moreover, it was revealed that the microstructure of the KOBO-processed sample exhibited an increased fraction of low-ΣCSL boundaries. Specifically, the fraction of Σ11 boundaries increased from approximately 2% to 8%. Post-irradiation microstructural analysis revealed improved radiation tolerance in the KOBO-processed sample, indicating a beneficial influence of the increased grain boundary fraction and low-ΣCSL boundary fraction on the irradiation resistance of the AlSi10Mg alloy. This research provides valuable insights for the development of customized microstructures with enhanced radiation tolerance, which has significant implications for the advancement of materials in nuclear and aerospace applications. [ABSTRACT FROM AUTHOR]

The formation mechanism of FCC phase on prismatic-basal (PB) interfaces in { 10 1 ¯ 2 } < 1 ¯ 011 > twin in Zircaloy-4 under cyclic deformation at the strain level of 1.0% was systematically investigated by using transmission electron microscopy. Results showed that { 10 1 ¯ 2 } < 1 ¯ 011 > twin was presented in α-Zr grain and PB interfaces can be introduced into the twin boundaries. Under cyclic stresses, the emission of 1/3[ 0 1 ¯ 10 ] and 1/3 [ 01 1 ¯ 0 ] Shockley partial dislocations would be initiated on the PB interfaces of the twin and slipped symmetrically on every other ( 0001 ) planes of the twin, resulting in the HCP → FCC phase transformation. Moreover, when the shear stresses were large enough, 1/6 < 1 ¯ 1 ¯ 2 > Shockley partial dislocations were activated during cyclic deformation and the formation of { 111 } SFs in FCC phase was presented. [ABSTRACT FROM AUTHOR]

FeCoCrNiCu high-entropy alloys (HEAs) exhibit extraordinary mechanical properties and have the capability to withstand extreme temperatures and pressures. Their exceptional attributes make them suitable for diverse applications, from aerospace to chemical industry. We employ atomic-scale simulations to explore the effects of twinning boundary and twinning thickness on the mechanical behavior of nanotwinned FeCoCrNiCu during nanoindentation. The findings suggest that as the twinning thickness decreases within the range of 19.3–28.9 Å, both twinning partial slips (TPSs) and horizontal TPSs gradually become dominant in governing the plastic behaviors of the nanotwinned FeCoCrNiCu, thereby resulting in an inverse Hall–Petch effect. Remarkably, when the twinning thickness is compressed below 19.3 Å, a shift in the plastic deformation mechanism emerges, triggering the conventional Hall–Petch relation. The observed Hall–Petch behavior in nanotwinned FeCoCrNiCu is attributed to the strengthening effect imparted by the twinning boundaries. Consequently, the twinning boundary play an instrumental role in steering the plastic deformation mechanism of the nanotwinned FeCoCrNiCu when the twinning thickness descends beneath 19.3 Å. This study contributes significant insights towards the design of next-generation high-performance HEAs, underpinning their potential industrial utilization. [ABSTRACT FROM AUTHOR]

Infinite-layer nickelates stand as a promising frontier in the exploration of unconventional superconductivity. Their synthesis through topotactic oxygen reduction from the parent perovskite phase remains a complex and elusive process. This study delves into the nano-scale effects of the topotactic lattice transformation within LaNiO2 crystals. Leveraging high-resolution scanning transmission electron microscopy and spectroscopy, our investigations uncover a panorama of structural alterations, including grain boundaries and coherent twin boundaries, triggered by reduction-induced transformations. In addition, our analyses unveil the formation of an oxygen-rich disordered transition phase encircling impurities and pervading crystalline domains and the internal strain is accommodated by grain boundary formation. By unraveling these nano-scale effects, our findings provide insights into the microscopic intricacies of the topotactic reduction process elucidating the transition from the perovskite to the infinite-layer phase within nickelate bulk crystals. [ABSTRACT FROM AUTHOR]

Porous Ni–Mn–Ga shape memory alloy with the pore size of 20–30 μ m was fabricated by the powder metallurgy with the pore-forming agent of NaCl. The prepared alloy has a uniform pore distribution and a complete sintering neck, which reduces the number of grain boundaries. Pores constrain the transmission of stress, leading to stress concentration, which decreases the critical stress of martensitic twin variants reorientation (<10 MPa). Meanwhile, the strength of porous alloys can be tuned by the alloying of Ti. In addition, the porous Ni–Mn–Ga alloy obtained a lower critical stress for martensitic twin boundary motion after cyclic compression, which makes it suitable for devices that require energy absorption under low stress. The microstructure and mechanical properties of Ni–Mn–Ga porous alloy were analyzed, and the effects of pores on the Ni–Mn–Ga alloy were also discussed. [ABSTRACT FROM AUTHOR]

Fractional calculus is an important mathematical tool that is widely used in control systems. It is established in the literature that fractional order models are more accurate and more effective in system modelling. In this study, an alternative and novel technique is proposed to identify the fractional order time-delayed model of an unknown system. The method is based on obtaining the approximate stability boundary locus (SBL) curve of the unknown system by applying three different experimental tests. Three points on the SBL curve are determined by the experimental tests and then the parameters of the fractional order time-delayed model are computed by solving the nonlinear systems of equation. The system model with double fractional order element plus a time delay is obtained using the proposed method. The proposed method is explained through simulations on a twin rotor system. The proposed method is also used in model order reduction calculation of the higher order transfer functions. [ABSTRACT FROM AUTHOR]

Twinned Al–Mg alloys have been reported. However, the role of Mg solute in facilitating the formation of growth twins remains unclear. By using a precession-assisted crystal orientation mapping technique (PACOM) coupled with transmission electron microscopy (known as ASTAR), we examined the evolution of twin boundaries in Al, Al–1Mg, and Al–2.2Mg (at. %) films. The twinned grain fraction elevates with increasing film thickness until it reaches a peak when the film thickness is 120–160 nm. The Al–Mg alloys exhibited greater twinned grain fractions than pure Al. To investigate the fluctuation of twinned grain fraction, two types of twin boundaries were classified including intergranular and intragranular twins. The initial increase in twin density is attributed to the impingement of twinned grains during island coalescence and the twinned grains are more likely to survive during the grain growth process. Whereas the decrease in twinned grain fraction in thicker films is related to the removal of intragranular twins, and a lack of formation mechanisms of new twins. [ABSTRACT FROM AUTHOR]

Large-scale nonequilibrium molecular dynamics simulation is used to study the effect of grain size and Cr segregation at the twin boundary (TB) on the spalling fracture mechanism of nickel based alloys. In particular, loading waves are designed so that the maximum tensile stress first appears in the grain interior for all the crystals with different grain sizes. In contrast to traditional understandings, no monotonous relationship between the spall strength and the grain size appears in our results. The spall strength is found to depend on the wave attenuation distance measured from the first maximum tensile stress position to the spalled TB as well as the accompanied microstructure evolutions. The number of spalling plane increases with the increase of TB or the decrease of the grain size. As the grain size continues to decrease, a greater impact strength is required to cause spallation fracture at multiple TBs. In this case, the spall strength becomes insensitive to the first maximum tensile stress position. With the increment of solute atom concentration, the number of the spalling plane increases when the solution is segregated. But it decreases when the solution is uniformly distributed. Such a result is explained by segregation-enhanced energy dissipation and interactions between the waves and the microstructures nearby TBs. In particular, the shock wave would induce a local lattice reorientation nearby the TB depending on its segregation degree and the lattice reorientation would modify the slip manner of stacking faults and, thus, affect void nucleation and growth. The lattice reorientation would also contribute to the generation of sub-grain boundaries inside the grains in terms of the movement of stacking faults. Void nucleation at the sub-GB is the main cause of fracture at the grain interior. [ABSTRACT FROM AUTHOR]

The possibility to use ferroelastic materials as components of neuromorphic devices is discussed. They can be used as local memristors with the advantage that ionic transport is constraint to twin boundaries where ionic diffusion is much faster than in the bulk and does not leak into adjacent domains. It is shown that nano-scale ferroelastic memristors can contain a multitude of domain walls. These domain walls interact by strain fields where the interactions near surfaces are fundamentally different from bulk materials. We show that surface relaxations (~image forces) are curtailed to short range dipolar interactions which decay as 1/d² where d is the distance between domain walls. In bigger samples such interactions are long ranging with 1/d. The cross-over regime is typically in the range of some 200-1500 nm using a simple spring interaction model. [ABSTRACT FROM AUTHOR]

Mg–8Al–1Zn magnesium alloy was successfully processed using deferential speed rolling (DSR) at temperatures of 400 and 450 °C for thickness reduction of 30, 50, and 70% with no significant grain growth and dynamic recrystallization. Using optical microscopy (OM), scanning electron microscopy (SEM), and transmission electron microscopy (TEM), the rolled microstructures were examined. Although the results indicate a slight reduction in grain size from the initial condition, the DSR processing of alloy at an elevated temperature was associated with a significant number of twins and a distribution of the fine particles of the second phase. The strength in terms of microhardness measurements and strain hardening in terms of shear punch testing was significantly improved in the rolled microstructure at room temperature. The existence of twins and widely distributed second-phase fine particles at twin boundaries reflected positively on the extent of the elongations in terms of shear displacements when microstructures were tested at elevated temperatures in the shear punch testing. [ABSTRACT FROM AUTHOR]

A three‐dimensional (3D) microstructural volume is reconstructed from a stack of two‐dimensional sections which was obtained by serial sectioning coupled with electron back scattering diffraction (EBSD) mapping of a 316L austenitic stainless steel. A new alignment algorithm named linear translation by minimising the indicator (LTMI) is proposed to reduce the translational misalignments between adjacent sections by referencing to coherent twin boundaries which are flat and lying on {111} planes. The angular difference between the measured orientation of a flat twin boundary and that of the {111} plane is used as an indicator of the accuracy of the alignment operations. This indicator is minimised through linear translations of the centroids of triangular facets, which constitute grain boundaries at a distance not restricted by the in‐plane step size of the EBSD maps. And hence the systematic trend in the translational misalignments can be effectively reduced. The LTMI alignment procedure proposed herein effectively corrects the misalignments remained by other methods on a 3D‐EBSD data prepared using serial sectioning methods. The accuracy in distinguishing between coherent and incoherent twin boundaries is significantly improved. [ABSTRACT FROM AUTHOR]

In this study, the microstructural evolution of Ag films with different amounts of (111)-oriented grains and coincident site lattice Σ3 (CSL-Σ3) twin boundaries after low-temperature direct bonding was demonstrated. The highly (111)-oriented surface grains provided the rapid surface diffusion paths and the special twin boundaries contributed to structural stability of the Ag films during bonding. Combining both, perfect bonding can be achieved at a low temperature of 150 °C for 60 min in the bonding of Ag films with 99.4% (111) grains. Owing to the low recrystallization temperature, bonding interfaces with only a few small voids were observed after bonding at 250 °C for 30 min. Annealing twins grew across the bonding interface and extended to the other side of the Ag films, implying a strong bonding strength. Though increasing the bonding temperature and period could help to achieve a bonding interface with the least voids formed, it was suggested that increasing the amount of (111) grains on the Ag film bonding surfaces is the key point to achieved perfect bonding at temperatures lower than 250 °C. This would provide great potential for Ag as a suitable material for applications in three-dimensional integrated circuit (3D-IC) interconnections. [ABSTRACT FROM AUTHOR]

Semiconducting transition metal dichalcogenides (MX2) occur in 2H and rhombohedral (3R) polytypes, respectively distinguished by anti-parallel and parallel orientation of consecutive monolayer lattices. In its bulk form, 3R-MX2 is ferroelectric, hosting an out-of-plane electric polarisation, the direction of which is dictated by stacking. Here, we predict that twin boundaries, separating adjacent polarisation domains with reversed built-in electric fields, are able to host two-dimensional electrons and holes with an areal density reaching ~ 1013cm−2. Our modelling suggests that n-doped twin boundaries have a more promising binding energy than p-doped ones, whereas hole accumulation is stable at external surfaces of a twinned film. We also propose that assembling pairs of mono-twin films with a 'magic' twist angle θ* that provides commensurability between the moiré pattern at the interface and the accumulated carrier density, should promote a regime of strongly correlated states of electrons, such as Wigner crystals, and we specify the values of θ* for homo- and heterostructures of various TMDs. The authors investigate the twin boundaries in ferroelectric transition metal dichalcogenides, predicting their trap electrons with low densities, enhancing electron-electron interactions and potentially promoting Wigner crystallisation. [ABSTRACT FROM AUTHOR]

This study examined the effect of manganese (Mn) contents (3.12 to 8.97 pct) and three-pass deformation distributions on dynamic recrystallization (DRX) and dislocation evolution during hot compression of low-nickel duplex stainless steel (DSS). With a total deformation of 70 pct and a strain rate of 0.1 s−1, the study revealed that elevated Mn content enhances the ferrite phase's DRX, whereas austenite phase's dynamic recovery (DRV) varied with the deformation pass distribution. Changing the pass sequence (30 pct-10 pct-30 pct to 10 pct-30 pct-30 pct, and subsequently to 25 pct-35 pct-10 pct) in the 8.97 pct Mn sample, a reduction in the percentage of deformed grains in the austenite phase was observed. Furthermore, performing two consecutive passes with significant deformations was not favorable for ferrite DRX. Instead, it facilitated the development of subgrains within the austenite phase. The 25 pct-35 pct-10 pct deformation pattern in the 8.97 pct Mn sample led to twin boundaries formation, refining the coarse grains but impeding DRX, resulting in numerous austenite subgrains controlled by DRV. Conversely, a 30 pct-10 pct-30 pct deformation in the 8.97 pct Mn sample encouraged ferrite grains mainly displayed {001} and {111} recrystallization textures, thereby promoting DRX nucleation. The ferrite DRX process was primarily governed by continuous dynamic recrystallization (CDRX) mechanism, leading to the development of sizable, equiaxed grains with fewer dislocations. Kurdjumov-Sachs (K-S) relationship between the two phases enables dislocation slip from austenite to ferrite during compression deformation. With the increased addition of Mn, the ferrite underwent a gradual transition from a deformation texture to a recrystallization texture, whereas the austenite continued to be predominantly characterized by a deformation texture. The dynamic softening effect exhibited a more pronounced behavior in the 30 pct-10 pct-30 pct deformation condition for the sample with 8.97 pct Mn in comparison to the other deformation conditions. [ABSTRACT FROM AUTHOR]

Planar to cellular transition in the EH36 weld metal subjected to CaF2–TiO2 flux has been observed in situ under confocal scanning laser microscope. It is found that planars experience bifurcations, which preferentially evolve into cellular twins at the boundary, extending cellular arrays to interface. It is demonstrated that critical instability rate at the planar boundary is lower than that at the interface. Wavelengths of adjacent cellulars at both boundary and interface follow reverse relations with time. [ABSTRACT FROM AUTHOR]

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. [ABSTRACT FROM AUTHOR]

Titanium and titanium alloys have been widely applied in the manufacture of aircraft engines and aircraft skins, the mechanical properties of which have a crucial influence on the safety and lifespan of aircrafts. Based on nanotwinned titanium models with different twin boundary spacings, the impacts of different loadings and twin boundary spacings on the plastic deformation of titanium were studied in this paper. It was found that due to the different contained twin boundaries, the different types of nanotwinned titanium possessed different dislocation nucleation abilities on the twin boundaries, different types of dislocation–twin interactions occurred, and significant differences were observed in the mechanical properties and plastic deformation mechanisms. For the { 10 1 - 2 } twin, basal plane dislocations were likely to nucleate on the twin boundary. The plastic deformation mechanism of the material under tensile loading was dominated by partial dislocation slip on the basal plane and face-centered cubic phase transitions, and the yield strength of the titanium increased with decreasing twin boundary spacing. However, under compression loading, the plastic deformation mechanism of the material was dominated by a combination of partial dislocation slip on the basal plane and twin boundary migration. For the { 10 1 - 1 } twin under tensile loading, the plastic deformation mechanism of the material was dominated by partial dislocation slip on the basal plane and crack nucleation and propagation, while under compression loading, the plastic deformation mechanism of the material was dominated by partial dislocation slip on the basal plane and twin boundary migration. For the {1124} twin, the interaction of its twin boundary and dislocation could produce secondary twins. Under tensile loading, the plastic deformation mechanism of the material was dominated by dislocation–twin and twin–twin interactions, while under compression loading, the plastic deformation mechanism of the material was dominated by partial dislocation slip on the basal plane, and the product of the dislocation–twin interactions was basal dislocation. All these results are of guiding value for the optimal design of microstructures in titanium, which should be helpful for achieving strong and tough metallic materials for aircraft manufacturing. [ABSTRACT FROM AUTHOR]

We conduct in situ tensile straining experiments to investigate the role of hydrogen and slip in crack initiation in nickel-based alloy 725. Our experiments reveal no tendency for hydrogen to enhance localized slip and no necessity of slip for crack initiation. We use electrochemical charging to introduce hydrogen into samples, melt extraction to measure hydrogen content, and digital image correlation to analyze localized plastic strains during in situ tensile tests in a scanning electron microscope. Cracks initiate both in regions with and without nearby localized slip. Moreover, the fraction of cracks initiating with no nearby slip is greater at higher hydrogen content. Slip-assisted crack initiation generally occurs at locations where intergranular slip is arrested, especially at intersections of slipping coherent twin boundaries with thin twin lamellae. Cracks that initiate without nearby slip occur at a wider variety of microstructural features, including inclusions, triple junctions, and surface flaws. [ABSTRACT FROM AUTHOR]

In this work, the microstructure, and mechanical properties of cold-rolled low-density multi-principal-element Fe-30Mn-10Al-1.57C-2.3Cr-0.3Si-0.6Ti (wt.%) specimens were systematically investigated by annealing under different conditions. The microstructural evolution and strengthening mechanism were also examined. Results from x-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and electron backscatter diffraction (EBSD) analyses confirmed that carbides were composed of TiC and κ-carbides. As the annealing temperature increased, both the volume fraction of κ-carbides and yield strength (YS) of the alloys decreased. TEM images indicated a pile-up of dislocations around carbides and boundary of twins. The increase in annealing temperature to 450 °C led to best mechanical properties of specimens with σ0.2% = 1270.28 MPa, Rm = 1318.67 MPa, and ε = 19.47%. Moreover, YS decreased by 9.28% and TE increased by 192.78%. Notably, the density of the as-obtained alloy reached 6.58 g/cm3, a value 15.6% lower than that of conventional steel. In sum, these findings are promising for future applications of low-density alloys. [ABSTRACT FROM AUTHOR]

Silicon carbide (SiC) has long been known for its potential to replace Si and has rapidly emerged as a new power device material that provides opportunities to extend the power, temperature, or frequency capabilities of power modules. In this study, an innovative method for the die bonding of SiC chips with DBC alumina substrates has been performed at 250 °C using (111) preferentially oriented Ag nanotwinned films. For this purpose, the optimized conditions for the deposition of such Ag nanotwins using magnetron sputtering and electron beam evaporation techniques were investigated. The results indicated amounts of 36.4 and 3.5% for the proportions of Σ3 and Σ9 coincident twin boundaries to the total grain boundaries, respectively. AFM measurements revealed that the Ag nanotwinned films were quite uniform, with an average surface roughness of 10.5 nm, which is beneficial for the direct bonding of SiC power modulus. The hardness increased from 0.7 ± 0.2 to 1.57 ± 0.3 GPa when the substrate bias was increased from 0 to − 150 V, while the electrical resistivity was reduced from 2.71 to 2.02 μΩ·cm. It is obvious that applying an appropriate substrate bias can improve both the mechanical and electrical properties of Ag nanotwinned films on SiC chips. Finally, a satisfactory bonding strength of 39.4 ± 3.1 MPa without obvious voids at the interface has been achieved. [ABSTRACT FROM AUTHOR]

Refractory high‐entropy alloys (RHEAs) inspire the development of novel high‐temperature structural materials due to their outstanding resistance to softening and phase stability at elevated temperatures. However, they struggle to simultaneously achieve high‐temperature strength and room‐temperature ductility, while exhibiting insufficient room‐temperature strain hardening capability. Heterogeneous structure strengthening possesses a unique plastic self‐coordinated ability, which can effectively maintain strain hardening rate to achieve an excellent combination of strength and ductility. Benefiting from slow atomic diffusion, severe lattice distortion, and broad compositional design space, RHEAs with heterogeneous structures can be prepared from both chemical composition and interface structure perspectives. Chemical composition heterogeneity primarily focuses on fluctuations of alloying elements at the nanoscale, along with the formation of heterogeneous precipitates and unique lamellar eutectic structures. While, interface structure heterogeneity manifests in the activation of phase transformation and twin boundaries within grains, along with the formation of grains of vastly different sizes. The trend in RHEAs development is toward structural‐functional integration. Heterogeneous structures can also optimize functional properties, such as irradiation resistance, biomedical properties, and high‐temperature softening resistance of RHEAs. Finally, a brief outlook is provided on the future development direction of heterogeneous structure RHEAs. [ABSTRACT FROM AUTHOR]

Elasticity, featured by a recoverable strain, refers to the ability that materials can return to their original shapes after deformation. Typically, the elastic strains of most metals are well‐known 0.2%. In shape memory alloys and high entropy alloys, the elastic strains can be several percent, as called superelasticity, which are all triggered by external stresses. A superelasticity induced by magnetic field, termed as magneto‐superelasticity, is extremely important for contactless work of materials and for developing brand‐new large stroke actuators and high efficiency energy transducers. In magnetic shape memory alloys, the twin boundary motion driven by magnetic field can output a strain of several percent. However, this strain is unrecoverable when removing the magnetic field and hence it is not magneto‐superelasticity. Here, a giant magneto‐superelasticity of 5% in a Ni34Co8Cu8Mn36Ga14 single crystal is reported by introducing arrays of ordered dislocations to form preferentially oriented martensitic variants during the magnetically induced reverse martensitic transformation. This work provides an opportunity to achieve high performance in functional materials by defect engineering. [ABSTRACT FROM AUTHOR]

The 2H‐MoTe2 is a well‐known layered 2D semiconductor that is considered as a promising material for next‐generation microelectronic and optoelectronic devices. Te‐deficiency‐induced defective structures, like Te vacancy and mirror twin boundary (MTB), would be generated at elevated temperatures. However, the temperature‐dependent evolution of such defects and their influence on the macroscopic electrical transport property of 2H‐MoTe2 is unclear. Herein, the semiconductor–metal transition phenomenon in 2H‐MoTe2−x mediated by the evolving disordered MTB network with increasing Te deficiency is reported on. The samples are grown by molecular beam epitaxy, while the Te deficiency is tuned by post‐growth flash annealing in ultra‐high vacuum. Low‐temperature scanning tunneling microscope investigation discloses the medium‐range disorder evolution of the MTB network incorporated in the 2H‐MoTe2, which eventually transforms to an ordered metallic Mo5Te8 metastable phase. The scanning tunneling spectroscopy shows rich in‐gap states localized at the MTBs, which provide a conducting channel in the semiconductor. The ultra‐high vacuum in situ transport measurement shows a gradual decrease of resistance of the sample upon flash annealing from 50 to 480 °C, confirming the influence of Te deficiency on the transport property, which would play an essential role in the device performance and durability. [ABSTRACT FROM AUTHOR]

In the present study, the mechanical response and deformation behavior of a Mg AZ31 plate with different types of pre-twins was systematically investigated under biaxial tension along the normal direction (ND) and transverse direction (TD) with different stress ratios. The results show that significant hardening was observed under biaxial tension. The yield values in the direction of larger stress values were higher than those under uniaxial loading conditions, and the solute atom segregation at twin boundaries generates more obvious strengthening effect. Noting that, for TRH (with cross compression along the rolling direction (RD) and TD and annealing at 180 °C for about 0.5 h) sample, the strength effect of the RD yield stress σ RD : σ ND = 2:1 was higher than that of the ND yield stress under stress ratio σ RD : σ ND = 1:2. There is a complex competition between twinning and detwinning under biaxal tension along the ND and TD of the pre-twinned samples with the variation in the stress ratio along the TD and RD. The variation in the twin volume fractions for all samples under biaxial firstly decreases and then increases with a higher stress ratio along the ND. As for the TDH sample (precompression along the TD and annealing), the changes of the twin volume fraction were lower than that of the TR sample (cross compression along the TD and RD). However, the amplitude of variation in twin volume fraction of the TRH sample is higher than that of the TR sample. This is because the relative activity of detwinning decreases and that of twinning increases, as the ND stress mainly leads to the growth of pre-twins and the TD stress often promotes detwinning of primary twins. With a higher stress ratio along the ND, the activity of twinning deformation increases and that of detwinning decreases. [ABSTRACT FROM AUTHOR]

In this study, 6201 Al–Mg–Si cast ingots were investigated to determine the influence of total iron and silicon contents and homogenization on their microstructure and performance, including electrical and creep resistance. The tests included scanning electron microscopy, electron back scatter diffraction, and X-ray diffraction. The results showed that an increase in the total Fe and Si contents refined the microstructure, increased the weight of the ∑3 twin boundaries, and decreased the texture index FCGB in the initial Al–Mg–Si cast ingots. With increasing homogenization treatment time, the electrical conductivity (EC) in all three groups of homogenized ingots first decreased significantly (within 4 h) and then remained relatively stable. The increase in the total Fe and Si contents resulted in a decrease in the EC and an increase in the hardness of the as-homogenized cast ingot samples. The improvement in the EC of the initial and as-homogenized cast ingots was due to the high content of low-angle grain boundaries and strong Cube texture. The room-temperature creep resistance of the as-homogenized cast ingots was improved by high Fe and Si contents. The texture index FCGB and orientation streamline approach were determined to be powerful indicators for distinguishing and describing texture evolution during the homogenization of cast ingots with various chemical compositions. [ABSTRACT FROM AUTHOR]

Twin structures are commonly found in many metals and play a significant role in determining the mechanical properties and corrosion resistance of alloys. However, it is very challenging to observe the formation of twins in melt using traditional methods. In this paper, Fe90Al10 alloy was obtained by the vacuum non-consumable arc-melting method, and the results showed that the grain misorientation in the rapidly solidified Fe90Al10 alloys do not always follow a Mackenzie distribution, there is a peak at 60°, and it is well-known that Σ3 twin boundaries have an misorientation difference of 60°, Therefore, another nucleation method exists at the Σ3 grain boundary. Subsequently, Molecular dynamics simulations of Fe90Al10 alloys have shown that twin formation is sporadic and occurs through heterogeneous nucleation on the surface of previously formed grains, and only Σ3 twin boundaries can be formed in this way, which becomes a way for BCC metals to form twins during solidification, this is also consistent with experimental results, in addition to random nucleation, heterogeneous nucleation also exists during the rapid solidification of Fe-Al ally. Additionally, the aggregation of icosahedral-like (ICO-like) structures present in the under cooled melt leads to the heterogeneous nucleation of twinning and the difference in volume between the twin crystals will affect the subsequent evolutionary process. Therefore, the experimental and simulation results in this study strongly explain a formation mechanism of twins in BCC metals during rapid solidification. [ABSTRACT FROM AUTHOR]

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This study employed molecular dynamics (MD) simulation to investigate the mechanical behavior of copper–silver (Cu–Ag) nanocrystalline alloys with twinning structures under solute gradient polarization conditions. The equidistant scaling method was used to identify different regions within the material, such as the solute concentration distribution from the grain interior to the GBs (GBs). MD simulations revealed that adjusting the twinning boundary spacing (TBS) can effectively improve the mechanical properties of Cu–Ag alloys. Tensile tests showed that stretching the twinning boundaries leads to a reduction in stress levels within the alloy. Furthermore, analysis based on the atomic structure volume fraction revealed that larger TBS values result in more pronounced structural changes within the alloy, particularly a significant transition from the face-centered cubic structure to the hexagonal close-packed structure. The latter typically possesses a higher density and closer packing, thus often exhibiting a higher strength and hardness. These findings reveal that adjusting the grain size, segregation gradients, TBS, and grain number can effectively improve the mechanical properties of Cu–Ag alloys. [ABSTRACT FROM AUTHOR]

We present a comprehensive investigation into the potential of n-type indium-doped cadmium selenide telluride (CST:In) as a high-performance candidate for solar cell applications, without the need for resource-intensive post-growth treatments that are required for CdTe:In. We compared undoped CST and CST:In crystals under different growth conditions, analyzing their structural and electronic properties using x-ray diffraction (XRD), electron probe microanalysis (EPMA), current–voltage (IV) and Hall effect measurements, time-resolved photoluminescence (TRPL), optical transmission, and photoluminescence (PL) mapping. The results reveal that as-grown CST:In crystals achieve nearly 100% carrier activation, yielding an electron concentration of 9.5 × 1018 cm−3, mobility of 653 cm2/V·s and a 5 ns lifetime which approaches the radiative limit. Furthermore, comparison of PL maps from crystal growths having different cooling profiles suggests a strong effect of cooling rate on selenium segregation and cubic/hexagonal/polytype phase distribution. Slower cooling leads to a more homogeneous cubic structure with lower Se segregation, while a faster cooling rate results in increased Se segregation, and twin boundaries and stacking faults with polytypic and hexagonal character. [ABSTRACT FROM AUTHOR]