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Analyzing plastic flow in refractory alloys is relevant to many different commercial and technological applications. In this study, screw dislocation statics and dynamics were studied for various compositions of the body-centered cubic binary alloy tungsten–molybdenum (W–Mo). The core structure did not appear to change for different alloy compositions, consistent with the literature. The pure tungsten and pure molybdenum samples had the lowest plastic flow, while the highest dislocation velocities were observed for equiatomic, W0.5Mo0.5 alloys. In general, dislocation velocities were found to largely align with a well-established dislocation mobility phenomenological model supporting two discrete dislocation mobility regimes, defined by kink-pair nucleation and migration and phonon drag, respectively. Velocities were observed to increase with temperature and applied shear stress and with decreasing kink-pair formation energies. The 50 at. % W alloy was found to possess the lowest kink-pair formation energy, consistent with its higher dislocation velocity. Furthermore, molybdenum segregation to the dislocation line was found to be thermodynamically favorable specifically at low temperatures and was observed to significantly delay the onset of dislocation glide and then generally enhance dislocation velocities thereafter. This behavior was explained by examining the energy landscape of dislocation glide. Furthermore, a segregation/de-segregation phase transition was observed to occur around 2500 K beyond which no preferential segregation to the dislocation was found. Overall, our findings suggest strong dependencies of plastic flow in W–Mo alloys on composition and elemental segregation, in agreement with the available literature, and may provide useful information to guide the design of next generation structural materials. [ABSTRACT FROM AUTHOR]

The strain relaxation, surface morphology, and reflectivity of AlGaN‐distributed Bragg reflectors (DBRs) grown via metal–organic chemical vapor deposition on AlN/Al2O3 templates are investigated. Strain relaxation begins in a 10‐period Al0.50Ga0.50N (27 nm)/Al0.75Ga0.25N (29 nm) DBR, and the degree of strain relaxation (DSR) increases with the number of DBR periods. The 30‐period DBR exhibits a peak reflectivity of 0.82 at 279 nm, with a stopband of 12 nm. The DSR of n‐Al0.62Ga0.38N on the 30‐period DBR increases from 70% to 100% as the n‐Al0.62Ga0.38N thickness increases from 0.4 to 2.5 μm. Although the surface of a DBR comprises numerous spiral hillocks, n‐Al0.62Ga0.38N grown on an AlGaN DBR exhibits a step‐flow growth. A DSR of 100% with threading screw dislocations of 2.0 × 108 cm−2 and threading edge dislocations of 1.2 × 109 cm−2 is obtained for a 2.5 μm‐thick n‐Al0.62Ga0.38N on a 30‐period AlGaN DBR. [ABSTRACT FROM AUTHOR]

AlGaN is attractive for fabricating deep ultraviolet (DUV) optoelectronic and electronic devices of light-emitting diodes (LEDs), photodetectors, high-electron-mobility field-effect transistors (HEMTs), etc. We investigated the quality and optical properties of AlxGa1−xN films with high Al fractions (60–87%) grown on sapphire substrates, including AlN nucleation and buffer layers, by metal–organic chemical vapor deposition (MOCVD). They were initially investigated by high-resolution X-ray diffraction (HR-XRD) and Raman scattering (RS). A set of formulas was deduced to precisely determine x(Al) from HR-XRD data. Screw dislocation densities in AlGaN and AlN layers were deduced. DUV (266 nm) excitation RS clearly exhibits AlGaN Raman features far superior to visible RS. The simulation on the AlGaN longitudinal optical (LO) phonon modes determined the carrier concentrations in the AlGaN layers. The spatial correlation model (SCM) analyses on E2(high) modes examined the AlGaN and AlN layer properties. These high-x(Al) AlxGa1−xN films possess large energy gaps Eg in the range of 5.0–5.6 eV and are excited by a DUV 213 nm (5.8 eV) laser for room temperature (RT) photoluminescence (PL) and temperature-dependent photoluminescence (TDPL) studies. The obtained RTPL bands were deconvoluted with two Gaussian bands, indicating cross-bandgap emission, phonon replicas, and variation with x(Al). TDPL spectra at 20–300 K of Al0.87Ga0.13N exhibit the T-dependences of the band-edge luminescence near 5.6 eV and the phonon replicas. According to the Arrhenius fitting diagram of the TDPL spectra, the activation energy (19.6 meV) associated with the luminescence process is acquired. In addition, the combined PL and time-resolved photoluminescence (TRPL) spectroscopic system with DUV 213 nm pulse excitation was applied to measure a typical AlGaN multiple-quantum well (MQW). The RT TRPL decay spectra were obtained at four wavelengths and fitted by two exponentials with fast and slow decay times of ~0.2 ns and 1–2 ns, respectively. Comprehensive studies on these Al-rich AlGaN epi-films and a typical AlGaN MQW are achieved with unique and significant results, which are useful to researchers in the field. [ABSTRACT FROM AUTHOR]

Chiral structures and functions are essential natural components in biominerals and biological crystals. Chiral molecules direct inorganics through chiral growth of facets or screw dislocation of crystal clusters. As chirality promoters, they initiate an asymmetric hierarchical self-assembly in a quasi-thermodynamic steady state. However, achieving chiral assembly requires a delicate balance between intricate interactions. This complexity causes the roles of achiral-chiral and inorganic components in crystallization to remain ambiguous. Here, we elucidate a definitive mechanism using an achiral-chiral ligand strategy to assemble inorganics into hierarchical, self-organized superstructures. Achiral ligands cluster inorganic building blocks, while chiral ligands impart chiral rotation. Achiral and chiral ligands can flexibly modulate the chirality of superstructures by fully using their competition in coordination chemistry. This dual-ligand strategy offers a versatile framework for engineering chiroptical nanomaterials tailored to optical devices and metamaterials with optical activities across a broad wavelength range, with applications in imaging, detection, catalysis, and sensing. [ABSTRACT FROM AUTHOR]

Silicon carbide (SiC) is one of the superior materials used in the manufacture of electronic components designed to work at high temperatures, high frequencies and high-power. In the past two decades, the application of SiC materials has been expanding as a result of much improved production and processing techniques. Although most SiC chips are still mainly made from 6 inch (1 inch =25. 4 mm) wafers, leading manufacturers have begun developing next-generation parts and chips based upon 8 inch SiC wafers. This study collaborates with leading enterprises in the upstream and downstream of the domestic silicon carbide industry chain in order to facilitate domestic production of 8 inch SiC chips, with the focus being wafer preparation and epitaxial growth. In this work, 8 inch conductive 4H-SiC substrate wafer was prepared by diameter expansion growth, with low average base plane dislocation (BPD) density (251 cm-2) and virtually 'zero threading screw dislocation (TSD)' density (< 1 cm-2) that meet the production requirements. Based on these 8 inch substrates, we achieve fast epitaxial growth (68. 66 μm/h) with domestically produced 8 inch epitaxy equipment and processing packages. The thickness uniformity of the resultant wafers is 0. 89% and the doping uniformity is 2. 05%. These parameters, as well as the defect density, are on par with those of high-quality 6-inch wafers, fully meeting production requirements. The 8 inch wafers prepared in this paper are better than those described in international publications in terms of thickness and doping uniformity. The defect density is only 1/4 of international data. In this paper, multi-wafer repetative text was designed and executed, to verify the stability of 8 inch epitaxy. [ABSTRACT FROM AUTHOR]

In this study, Al-Al4C3 compounds were manufactured by mechanical milling followed by heat treatment. To analyze the microstructural evolution, the composites were sintered at 550 °C at different sintering times of 2, 4 and 6 h. The mechanical results suggest that dislocation density and crystallite size primarily contribute to hardening before the sintering process, with a minimal contribution from particle dispersion in this condition. The compound exhibited a significant 75% increase in hardness after 2 h of sintering, primarily attributed to the nucleation and growth of Al4C3 nanorods. The HRTEM analysis, combined with geometric phase analysis (GPA) at and near the Al-Al4C3 interface of the nanorods, revealed strain field distributions primarily associated with partial screw dislocations and the presence of closely spaced dislocation dipoles. These findings are consistent with the microstructural parameters determined from X-ray diffraction pattern analysis using the convolutional multiple whole profile (CMWP) method. This analysis showed that the predominant dislocation character is primarily of the screw type, with the dislocation dipoles being closely correlated. Based on these results, it is suggested that samples with a lower weight percentage of reinforcement and longer sintering times may experience reduced brittleness in Al/Al4C3 composites. Strengthening contributions were calculated using the Langford–Cohen and Taylor equations. [ABSTRACT FROM AUTHOR]

[Display omitted] Body-centred cubic (BCC) transition metals tend to be brittle at low temperatures, which poses significant challenges in their processing and major concerns for damage tolerance. The brittleness is largely dictated by cleavage fracture at crack-tips and high lattice frictions of screw dislocation cores; the nature and control of which remain a puzzle after nearly a century. Here, we introduce a crystal geometry-based, semi-empirical material index χ, the energy difference between the BCC and face-centred-cubic structures, that guides engineering of crack-tip and screw dislocation core properties. The unstable stacking fault energy on 1 1 0 planes and screw dislocation Peierls barrier have near-linear scaling with χ and the screw core transforms from non-degenerate to degenerate when χ drops below some thresholds in homogenized BCC alloys, as demonstrated in binary transition metal alloys. The index χ has its origin in crystal geometry and can be extended to finite temperatures; its value is related to entropy and valence electron concentrations, which can be quantitatively predicted by first-principles calculations and effectively tuned in solid solution alloys. The χ-model and computational approach provide a practical path to screening of favourable solutes and compositions for enhanced ductility and toughness in BCC alloys. [ABSTRACT FROM AUTHOR]

Aluminum scandium nitride barrier layers increase the available sheet charge carrier density in gallium nitride‐based high‐electron‐mobility transistors and boost the output power of high‐frequency amplifiers and high voltage switches. Growth of AlScN by metal‐organic chemical vapor deposition is challenging due to the low vapor pressure of the conventional Sc precursor Cp3Sc, which induces low growth rates of AlScN and leads to thermally‐induced AlScN/GaN‐interface degradation. In this work, novel Sc precursors are employed to reduce the thermal budget by increasing the growth rate of the AlScN layer. The AlScN/GaN interfaces are investigated by high‐resolution X‐ray diffraction, high‐resolution transmission electron microscopy, time‐of‐flight secondary ion mass spectrometry, capacitance–voltage, current–voltage and temperature‐dependent Hall measurements. Linearly graded interlayers with strain‐induced stacking faults, edge, and screw dislocations form at the AlScN/GaN interface at growth rates of 0.015 nms−1. Growth rates of 0.034 nms−1 and higher allow for abrupt interfaces, but a compositional grading in the barrier remains. Homogeneous barrier layers can be achieved at growth rates of 0.067 nms−1 or by growing an AlN interlayer. The electrical properties of the heterostructures are sensitive to Sc accumulations at the cap/barrier interface, residual impurities from precursor synthesis, and surface roughness. This study paves the way for high‐performing devices. [ABSTRACT FROM AUTHOR]

Controlling the balance between strength and damage tolerance in high-entropy alloys (HEAs) is central to their application as structural materials. Materials discovery efforts for HEAs are therefore impeded by an incomplete understanding of the chemical factors governing this balance. Through first-principles calculations, this study explores factors governing intrinsic ductility of a crucial subset of HEAs--those with a body-centered cubic (bcc) crystal structure. Analyses of three sets of bcc HEAs comprising nine different compositions reveal that alloy chemistry profoundly influences screw dislocation core structure, dislocation vibrational properties, and intrinsic ductility parameters derived from unstable stacking fault and surface energies. Key features in the electronic structure are identified that correlate with these properties: the fraction of occupied bonding states and bimodality of the d-orbital density of states. The findings enhance the fundamental understanding of the origins of intrinsic ductility and establish an electronic structure-based framework for computationally accelerated materials discovery and design. [ABSTRACT FROM AUTHOR]

An enhancement in fatigue life for ferrite–pearlite low-carbon steel (LCS) at high temperature (HT) has been discovered, where it increased from 190,873 cycles at room temperature (RT) to 10,000,000 cycles at 400 °C under the same stress conditions. To understand the mechanism behind this phenomenon, the evolution of microstructure and dislocation density during fatigue tests was comprehensively investigated. High-power X-ray diffraction (XRD) was employed to analyze the evolution of total dislocation density, while Electron Backscatter Diffraction (EBSD) and High-Resolution EBSD (HR-EBSD) were conducted to reveal the evolutions of kernel average misorientation (KAM), geometrically necessary dislocations (GND) and elastic strains. Results indicate that the enhancement was attributed to the dynamic strain aging (DSA) effect above the upper temperature limit, where serration and jerky flow disappeared but hindrance of dislocations persisted. Due to the DSA effect, periods of increase and decrease in the total dislocations were observed during HT fatigue tests, and the fraction of screw dislocations increased continuously, caused by viscous movement of the screw dislocations. Furthermore, the increased fraction of screw dislocations resulted in a lower energy configuration, reducing slip traces on sample surfaces and preventing fatigue-crack initiation. [ABSTRACT FROM AUTHOR]

Unintentionally doped carbon impurities from organometallic precursors are primary sources of carrier compensation and mobility degradation in wide bandgap semiconductors, leading to lowered performance of power electronic devices. To address this challenge, carbon-free α- Ga2O3 single-crystalline thin films were heteroepitaxially grown on sapphire substrates by using gallium inorganic precursors through a mist chemical vapor deposition technique. Determined through a temperature dependence of growth rates, three distinct growth regimes are identified: the surface reaction limited regime below 480 °C, the mid-temperature mass-transport limited regime (480 °C–530 °C) and the high temperature limited regime related to desorption or phase transition. With an optimized around 530 °C, the densities of screw and edge dislocations are reduced to 7.17 × 106 and 7.60 × 109 cm−2, respectively. Notably, carbon incorporation was eliminated in the α -Ga2O3 grown by inorganic GaCl3, as evidenced by the absence of carbon-related vibrational bands in Raman scattering analysis, while crystalline quality was comparable to that grown with organometallic precursors. The high solubility of GaCl3 in water is expected to enable the rapid growth of high purity α -Ga2O3 with improved electronic transport performances. [ABSTRACT FROM AUTHOR]

In this paper, we make use of the generalized zeta function technique to investigate the vacuum energy, temperature corrections and heat kernel coefficients associated with a scalar field under a quasiperiodic condition in a (D + 1) -dimensional conical spacetime. In this scenario, we find that the renormalized vacuum energy, as well as the temperature corrections, are both zero. The nonzero heat kernel coefficients are the ones related to the usual Euclidean divergence, and also to the nontrivial aspects of the quaisperiodically identified conical spacetime topology. An interesting result that arises in this configuration is that for some values of the quasiperiodic parameter, the heat kernel coefficient associated with the nontrivial topology vanishes. In addition, we also consider the scalar field in a (D + 1) -dimensional spacetime formed by the combination of a conical and screw dislocation topological defects. In this case, we obtain a nonzero renormalized vacuum energy density and its corresponding temperature corrections. Again, the nonzero heat kernel coefficients found are the ones related to the Euclidean and nontrivial topology divergences. For D = 3 , we explicitly show, in the massless scalar field case, the limits of low and high temperatures for the free energy. In the latter, we show that the free energy presents a classical contribution. [ABSTRACT FROM AUTHOR]

In this study, a purity of up to 98.36 wt. % GdB 6 with screw dislocation growth morphology were successfully fabricated using an in-situ reaction approach. The terraced-like structure of the GdB 6 enhanced the interfacial polarization and multiple interface scattering of the electromagnetic waves. As a result, the as-obtained high purity GdB 6 powder presented superior electromagnetic wave absorption performance. The minimum reflection loss value can be −49.24 dB at the frequency of 13.12 GHz with a thin matching thickness of 1.44 mm. In addition, the widest effective absorption bandwidth can be up to ∼4 GHz (14–18 GHz) with a thin matching thickness of 1.25 mm. The remarkable electromagnetic wave absorption performance of GdB 6 ceramics could be attributed to conductance loss and polarization loss enhanced by the screw dislocation growth defects, as well as synergistic effects with magnetic loss. The as-obtained GdB 6 with synergistic dielectric loss and magnetic loss is to be a novel single-phase with excellent electromagnetic wave absorbing material, which will pave the way on the investigation of rare earth hexaborides for the ultra-high temperature environment applications. [ABSTRACT FROM AUTHOR]

Regulation on one-dimensional growth has been a major challenge for the preparation of high quality zirconia whiskers. In the present work, high-aspect ratio zirconia whiskers were successfully synthesized via molten salt method. The effect of soaking time on the aspect ratio and growth behaviour of zirconia whiskers was studied. The results suggested that the average aspect ratio of zirconia whiskers reached to 42 at 15 h. The zirconia whiskers grew along [100] direction. The entire process can be divided into an initial slow stage, a rapid growth stage and a declining stage. The dissolution–precipitation of Na9-4xZrx(PO4)3 is the key factor in the initial slow stage. The rapid growth stage of zirconia whiskers is highly dependent on the directional adsorption of F− and screw dislocation step. In the declining stage, the drastic transformation of whiskers morphology from fibrous shape to rod-like and granular ones is caused by excessive volatilization of Na3PO4·12H2O and NaF molten salts. [ABSTRACT FROM AUTHOR]

Chiral inorganic materials have attracted great attention owning to their unique physical and chemical properties attributed to the symmetry-breaking of their nanostructures. Chiral inorganic materials can be endowed with chiral geometric configurations from achiral space group crystals through lattice twisting, screw dislocations or hierarchical self-assembled spiral morphologies, showing various characteristic chiral anisotropy. However, the multilevel chirality in chiral nickel molybdate films (CNMFs) remains to be elaborately excavated. In this paper, we report three hierarchical levels of chirality in CNMFs, spanning from the atomic to the micron scale, including primary helically coiled nanoflakes with twisted atomic crystal lattices, secondary helical stacking of layered nanoflakes, and tertiary asymmetric morphology between adjacent nanoparticles. Our findings may enrich the chiral self-assembly structural types and provide valuable insights for the comprehensive analysis path of hierarchical chiral crystals. [ABSTRACT FROM AUTHOR]

We revisit the interaction between a point charge and an inhomogeneous magnetic field that yields the magnetic quantum dot system. This magnetic field is defined by filling the whole space, except for a region of radius r 0 . Then, we assume that there is an impenetrable potential wall located at r 0 and discuss the quantum effects of screw dislocation topology and the missing magnetic flux. We first show that Landau levels can be achieved even though there is the presence of an impenetrable potential wall. We go further by discussing the confinement of a point charge to a cylindrical wire. In both cases, we show Aharonov–Bohm-type effects for bound states can be obtained from the influence of the screw dislocation topology and the missing magnetic flux. Later, we discuss the influence of the screw dislocation topology and the missing magnetic flux on the magnetization and the persistent currents. [ABSTRACT FROM AUTHOR]

Under the impact of an infinitely extended edge phase dislocation, optical vortices (screw phase dislocations) with tight spacing induce scintillation enhancement. As the simplest case, the scintillation index of an interfering beam consisting of two Gaussian vortex beams with $ {\pm {1}} $ ± 1 topological charges through weak oceanic turbulence is researched via derivation and phase screen simulation to present this phenomenon. Different combinations of two types of phase discontinuities can be obtained by changing the overlapping degree and the phase difference of two coherent Gaussian vortex beams. The scintillation indexes for them verify that the formation condition of the phenomenon is the coexistence of two types of phase discontinuities. And the enhanced scintillation index can be several orders of magnitude larger than that of a plane wave under weak perturbation (Rytov variance). This phenomenon could be useful for both optical vortex detection and perturbation measurement. [ABSTRACT FROM AUTHOR]

The Siulak and Dikit segments of the Sumatran fault system, where historical major earthquakes of Ms 7.6 in 1909, Mw 7.2 in 1995 and Mw 6.6 in 2009 occurred, are distinctive and tectonically active, yet tectonic investigation such trench-parallel motions of both segments still is challenging to be better understand and important to constrain seismic hazard. We aim to better estimate slip rates as well as locking depths using GPS velocities and determine the cumulative energy stored at the segments. We processed raw GPS data from 31 GPS stations originating from the Indonesian continuous operating reference system (Ina-CORS), the Sumatran GPS array (SuGAr), and IGS networks for 2016–2021 including UNIB stations including two UNIB stations using GAMIT/GLOBK software. The daily GPS solutions were constrained into the ITRF-2014 frame, and the GPS velocities were translated into the Sunda Block. We modeled trench-parallel GPS velocities using 1-D screw dislocation elastic model following a Bayesian approach with Metropolis MCMC sampler to estimate optimum fault parameters. Our result inferred that estimated slip rates are 20.71 [− 2.20, + 2.95] mm/yr with a locking depth of 21.62 [− 11.98, + 14.16] km in the Siulak segment and 20.21 [− 2.42, + 2.95] mm/yr with a locking depth of 21.72 [− 13.10, + 14.77] km in the Dikit segment. Our analysis demonstrates both segments having a uniform slip rate, suggesting that the segments may share similar tectonic settings. In addition, the two segments are capable of generating a magnitude six to seven or greater earthquake if a single earthquake occurs in 50 to 200 years periods. [ABSTRACT FROM AUTHOR]

Localized lattice distortions in GaN substrates can serve as nucleation sites for epitaxial macro-steps and macro-terraces. These detrimental macro-scale features give rise to optically hazy homoepitaxial GaN surfaces. After nucleating, these macro-features grow laterally along the surface and coalesce, leading to significant coverage of the wafer surface. Dot-core GaN substrates consisting of a periodic array of cores were used as a defect-engineered system, where dislocations are intentionally concentrated at the cores. The high density of threading dislocations at the cores induced localized lattice distortions. These distortions are associated predominantly with lattice tilt on the order of hundreds of arcsec across ∼0.5 mm laterally along the wafer surface. The resulting macro-features that nucleated at these localized distorted sites were made up of macro-terraces with lengths ranging ∼30–∼150 μm and macro-step heights ranging ∼200–∼400 nm. Another source of localized distortion was threading screw dislocations or GaN nanopipes that resulted in spiral growth and hillock formation. Based on x-ray topography and optical microscopy measurements, we speculate that the coalescence of hillocks evolves into macro-terraces and macro-steps. While previous studies focused on the substrate miscut as a means to control macro-feature formation, we show that localized lattice tilt from defects is another important contributor to macro-feature formation. [ABSTRACT FROM AUTHOR]

We investigate how the magnetic state influences the interaction of Cr substitutional impurities with ½⟨111⟩ screw dislocations in bcc Fe via density functional theory (DFT). We compare the paramagnetic state, modeled with a non-collinear disordered local moment (DLM) model, with the ferromagnetic state. In a previous work [Casillas-Trujillo et al., Phys. Rev. B 102, 094420 (2020)], we have shown that the magnetic moment and atomic volume landscape around screw dislocations in the paramagnetic state of iron are substantially different from that in the ferromagnetic state. Such a difference can have an impact in the formation energies of substitutional impurities, in particular, magnetic solutes. We investigate the formation energies of Cr solutes as a function of position with respect to the screw dislocation core, the interaction of Cr atoms along the dislocation line, and the segregation profile of Cr with respect to the dislocation in paramagnetic and ferromagnetic bcc iron. Our results suggest that with increasing temperature and connected entropic effects, Cr atoms gradually increase their occupation of dislocation sites, close to twice the amount of Cr in the DLM case than in the ferromagnetic case, with possible relevance to understand mechanical properties at elevated temperatures in low-Cr ferritic steels in use as structural materials in nuclear energy applications. [ABSTRACT FROM AUTHOR]

In this paper, we have investigated the nonrelativistic limit of a quantum particle, subjected to a uniform magnetic field and in the presence of some confinement potentials, immersed in a background with a cosmic string and a screw dislocation. We separately examined four models, constructed the energy spectrum and cyclotron frequency for each of them, and checked the consistency of the results by considering the limit of some characteristic parameters of the potentials. [ABSTRACT FROM AUTHOR]

The close intertwining of equilibrium and nonequilibrium thermodynamic representations and transitions between two limiting principles of thermodynamics: the second beginning and the principle of least coercion (minimum entropy production in the stationary regime) constitute the main content of the phenomenological theories of crystal growth. The difference of the basic postulates of two sections of thermodynamics forces to discuss the problems of reversibility and irreversibility of time, scales of observed phenomena, and rules of conjugation of thermodynamic forces and flows in theories of crystal growth. A variant of the solution of some conjugation problems is shown on the example of the fluctuation model of dislocation crystal growth, which is based on the stationary isothermal process of thermodynamic free energy fluctuations. In the case of the limiting mode of adsorption of impurities on the crystal face according to the Langmuir model, the free-energy fluctuations characterized by the absence of the memory effect make it possible to identify three chemical potentials of building particles, which determine the corresponding values of solution supersaturations realized at different scale levels at the growing crystal face containing a screw dislocation. The supersaturations control quasi-equilibrium and nonequilibrium thermodynamic processes that constitute a unified dislocation mechanism of crystal growth. [ABSTRACT FROM AUTHOR]

The nature and type of defects formed due to heavy-ion irradiation in tungsten foils are analyzed using transmission electron microscopy. The recrystallized tungsten foils were irradiated by 80 MeV gold ions at room temperature for a fluence of 1.3 × 10 14 ions/cm 2 that amounts to a net displacement per atom (dpa) of 0.22. The defect structures were analyzed using bright-field and weak-beam dark field imaging at two different depths to understand the depth profile of the defects. It is found that the defect clusters formed during the irradiation, both at the near-surface and at 2 μ m depth are of vacancy type that is confirmed by the local strain analysis and supports the findings of vacancy clusters in positron lifetime measurements. The analysis also shows that the dislocation-lines were of pure edge, pure screw and mixed. The fraction of mixed dislocation is found to increase during irradiation at the expense of pure edge and screw dislocations. [ABSTRACT FROM AUTHOR]

Chirality is a fundamental property in nature and is widely observed at hierarchical scales from subatomic, molecular, supramolecular to macroscopic and even galaxy. However, the transmission of chirality across different length scales and the expression of homochiral nano/microstructures remain challenging. Herein, we report the formation of macroscopic homochiral helicoids with ten micrometers from enantiomeric pyromellitic diimide-based molecular triangle (PMDI-Δ) and achiral pyrene via a screw dislocation-driven co-self-assembly. Chiral transfer and expression from molecular and supramolecular levels, to the macroscopic helicoids, is continuous and follows the molecular chirality of PMDI-Δ. Furthermore, the screw dislocation and chirality transfer lead to a unidirectional curvature of the helicoids, which exhibit excellent circularly polarized luminescence with large |glum| values up to 0.05. Our results demonstrate the formation of a homochiral macroscopic organic helicoid and function emergence from small molecules via screw dislocations, which deepens our understanding of chiral transfer and expression across different length scales. Chirality is observed at hierarchical scales from subatomic to macroscopic but the transmission of chirality across different length scales and the expression of homochiral nano/microstructures remain challenging. Here, the authors report the formation of macroscopic homochiral helicoids via a screw dislocation-driven co-self-assembly. [ABSTRACT FROM AUTHOR]

We first study an arbitrary number of identical parallel screw dislocations evenly distributed along a concentric circle within a nanowire of radius R. Two equilibrium positions, one stable and the other unstable, co-exist for each screw dislocation. As the number of screw dislocations approaches infinity, each will find a stable equilibrium configuration at a distance 0.7071R from the centerline. Next, we investigate a mode III Zener–Stroh central crack in a nanowire. The crack is simulated by a continuous distribution of screw dislocations which leads to a Cauchy-type singular integral equation whose numerical solution results in the stress intensity factor at the crack tip as well as the Eshelby twist of the rod induced by the imaginary screw dislocations comprising the Zener–Stroh crack. The Eshelby twist will significantly reduce the magnitude of the stress intensity factor at the crack tip. [ABSTRACT FROM AUTHOR]

In this paper, the initiation of interfacial damage in SnPb alloy was investigated at the atomic scale through molecular dynamics simulations. The focus was primarily on the structural stability of the Sn/Pb interface with different orientations, the formation energies of vacancies in different Sn/Pb interfaces, and the short-range interactions between dislocations and the Sn/Pb interface. The results revealed a correlation between the interfacial energies of all four Sn/Pb interfaces and the disorder of Sn and Pb atoms near the interface, where a more regular atomic arrangement resulted in lower interfacial energy. The vacancy formation energies near the Sn/Pb interfaces varied depending on the interface type, although all types contributed to reducing these energies. Furthermore, the Sn/Pb interface acts as a barrier to dislocations in both Pb and β-Sn phases, while leading to the cross-slip of screw dislocations in the Pb phase. Edge dislocations in the β-Sn phase induce significant strain localization at the interface, initiating interfacial damage and crack nucleation. These findings are highly significant for understanding damage mechanisms in SnPb alloy and advancing high-performance solder development. [ABSTRACT FROM AUTHOR]

Refractory multi-principal element alloys (RMPEAs) draw great interest with their superior mechanical properties and extremely high melting points, yet the strengthening mechanism remains unclear. Here, we calculate the critical resolved shear stress (CRSS) for a single dislocation to move in RMPEAs consisting of 4 or 5 elements with or without short-range order (SRO) to represent strength by a machine learning-based interatomic potential. The increased CRSS is then attributed to high lattice distortion, elastic mismatch, and SRO strengthening, all of which originate from the solid solution strengthening theory. After detailed research of the CRSS across many RMPEAs systems with different composition ratios, we construct an XGBoost model to predict the CRSS from a few parameters and rank their importance. We find that lattice distortion strongly influences both dislocation types and reduces the screw-to-edge ratio in CRSS, while the elastic mismatch has a more significant impact on the screw dislocation than the edge one. [ABSTRACT FROM AUTHOR]

In order to crystallographically reconstruct the growth processes of mineral crystals and to establish fundamental patterns in crystal growth at a nanoscale, the effects of various factors on the characteristics of layer-by-layer crystal growth from solution were modeled using atomic force microscopy (AFM). In an experiment on growth in the area of a scratch, it was shown, using an original method of AFM data processing, that the average rate diagrams indicate a situation of a self-organization process: stable auto-oscillations in the growth rate. Comparison of the results with data on the growth of similar uninfluenced hillocks leads to the conclusion that giant fluctuations and the phenomenon of simultaneous growth and dissolution in local areas are caused by nanoindentation, when the strain from artificially formed defects strongly influences the evolution of the surface. In an AFM experiment on the trapping of foreign solid particles by a growing crystal at the nanoscale, the process of formation of a screw dislocation initiated by a foreign inclusion particle was registered. To theoretically explain the process, a three-stage mechanism is proposed that involves strain relaxation around the inclusion particle by the formation of one or more dislocations prior to the sealing of the inclusion during the first stage, the attachment of edge dislocations to them during the time of overgrowing in the second stage, and the development of a resulting dislocation after the particle has been completely sealed during the third stage. In studying growth in a flow cell, the mechanism of nanoscale reorientation of the growth hillock in the direction of the flow was established at a nanoscale, and the phenomenon of a change in the dominant hillock was registered. The resulting dissolution patterns in the channel are a clear demonstration of Curie's Symmetry Principle, according to which only those symmetry elements of a body in an environment can be preserved that are shared by the body and the environment. [ABSTRACT FROM AUTHOR]

In this work, we employ a phase field dislocation dynamics technique to simulate dislocation motion in body centered cubic refractory metals with diffusing interstitials. Two distinct systems are treated, Nb with O interstitials and W with H interstitials, to consider both relatively small and large atomic size interstitials. Simulations without and with driving stress are designed to investigate the role of interstitial type and mobility on the glide of edge- and screw-character dislocations. The simulations reveal the various short- and long-range dislocation-interstitial interactions that can take place and their dependency on interstitial type, site occupation, stress state, and mobility of the interstitials relative to dislocations. We show that while interstitial O increases the breakaway stress for both screw and edge dislocations in Nb, interstitial H in low H concentrations makes screw dislocations easier and the edge dislocations harder to move. The simulations find that screw dislocation glide is enhanced by the presence of interstitials in both systems. Edge dislocation glide is enhanced in W–H and inhibited in Nb–O. [ABSTRACT FROM AUTHOR]

The face-centered cubic (FCC)/hexagonal close-packed (HCP) dual-phase structure is a new design strategy proposed in recent years to achieve high strength and excellent plasticity of high-entropy alloys (HEAs). Here, the effect of HCP phase thickness, strain rate, and temperature on the interaction mechanism between screw dislocation and the HCP phase in the FCC structured CoCrFeMnNi HEAs is investigated by molecular dynamics simulation. The results show that there are two types of interaction modes between dislocations and the HCP phase: one is the dislocation passing through the HCP phase, that is, the penetration mechanism, and the other is the dislocation being absorbed by the HCP phase, that is, the absorption mechanism. The generation of these two mechanisms mainly depends on the relative ability of the HCP phase to prevent dislocation slip, which is closely related to the HCP phase thickness, strain rate, and temperature. When the relative ability of the HCP phase to block dislocation is large, the interaction between dislocations and the HCP phase presents an absorption mechanism; otherwise, it presents a penetration mechanism. The research can provide theoretical guidance for the development and design of new high-performance HEAs to achieve high strength and high ductility of materials. [ABSTRACT FROM AUTHOR]

In this paper we investigate the effect of a topological defect, such as a screw dislocation in an α - T 3 Aharonov–Bohm quantum ring and scrutinized the effects of an external transverse magnetic field and Rashba spin-orbit coupling therein. The screw dislocation yields an effective flux which reshape the periodic oscillations in the persistent current in both charge and spin sectors, with a period equal to one flux quantum. Moreover, they suffer a phase shift proportional to the degree of dislocation, and include scattering effects due to the dislocation present in the system. Such tunable oscillation of the spin persistent current highlights applications of our system as potential spintronic devices. Further, the behaviour of the current induced by the Burgers vector ( b z ) which denotes the strength of the dislocation is investigated in the absence and presence of an external magnetic field. In both the scenarios, an almost linear decrease in the current profile as a function of the Burgers vector is observed. Notably, without the external magnetic field, the Burgers current suffers a back flow for α = 1 (dice lattice), while in the presence of the external magnetic field, for other values of α (e.g., α = 0.5 ) this back flow occurs for a specific value of b z . Additionally, the presence of the distortion induces a chirality effect, giving rise to an additional chiral current even in the absence of an external field. Furthermore, in the absence of field, the Burgers spin current initially rises, attains a maximum before diminishing as b z is enhance for all values of α . However, such a non-monotonicity in the Burgers spin current is conspicuously non-existent in the presence of an external field. The chiral current discussed above may hold important applications to spintronics. [ABSTRACT FROM AUTHOR]

This study introduces an advanced computational method aimed at accelerating continuum-scale processes using crystal plasticity approaches to predict mechanical responses in cobalt-based superalloys. The framework integrates two levels, namely, sub-grain and homogenized, at the meso-scale through crystal plasticity finite element (CPFE) platforms. The model is applicable across a temperature range from room temperature up to 900   ° C, accommodating various dislocation mechanisms in the microstructure. The sub-grain level explicitly incorporates precipitates and employs a dislocation density-based constitutive model that is size-dependent. In contrast, the homogenized level utilizes an activation energy-based constitutive model, implicitly representing the γ ′ phase for efficiency in computations. This level considers the effects of composition and morphology on mechanical properties, demonstrating the potential for cobalt-based superalloys to rival nickel-based superalloys. The study aims to investigate the impacts of elements including tungsten, tantalum, titanium, and chromium through the homogenized constitutive model. The model accounts for the locking mechanism to address the cross-slip of screw dislocations at lower temperatures as well as the glide and climb mechanism to simulate diffusions at higher temperatures. The model's validity is established across diverse compositions and morphologies, as well as various temperatures, through comparison with experimental data. This advanced computational framework not only enables accurate predictions of mechanical responses in cobalt-based superalloys across a wide temperature range, but also provides valuable insights into the design and optimization of these materials for high-temperature applications. [ABSTRACT FROM AUTHOR]

In this study, a pulsed laser operating at a wavelength of 1064 nm and with a pulse width of 100 ns was utilized for the removal of paint from the surface of a 2024 aluminum alloy. The experimental investigation was conducted to analyze the influence of laser parameters on the efficacy of paint layer removal from the aircraft skin's surface and the subsequent evolution in the microstructure of the laser-treated aluminum alloy substrate. The mechanism underlying laser cleaning was explored through simulation. The findings revealed that power density and scanning speed significantly affected the quality of cleaning. Notably, there were discernible damage thresholds and optimal cleaning parameters in repetitive frequency, with a power density of 178.25 MW/cm2, scanning speed of 500 mm/s, and repetitive frequency of 40 kHz identified as the primary optimal settings for achieving the desired cleaning effect. Thermal ablation and thermal vibration were identified as the principal mechanisms of cleaning. Moreover, laser processing induced surface dislocations and concentrated stress, accompanied by grain refinement, on the aluminum substrate. [ABSTRACT FROM AUTHOR]

The liquid-phase epitaxial growth (LPE) of GaN crystals on the MOCVD-GaN substrate using the Na-flux method was investigated under various growth times, 30, 60, 100, and 150 h. The morphology properties of as-grown GaN crystals were characterized by the scanning electron microscope (SEM). The variation of nitrogen concentration and supersaturation of GaN in the Ga-Na melt as a function of time is given computationally during the growth time of 150 h, as well as the distribution of nitrogen concentration for 30, 60, 100, and 150 h. In the early term of LPE growth (Stage I), the growth proceeds in a near-equilibrium laminar pattern at lower growth driving forces, corresponding to a screw dislocation growth mechanism. As the growth time extends, the GaN supersaturation in the Ga-Na melt increases with mass transfer continuing, leading to the mechanism of LPE growth changing from screw dislocation growth to continuous hexagonal pyramidal growth with deeper and deeper pit depths, and also thereby leading to the emergence of Stage II. A high level of GaN supersaturation in the solution could promote the growth along the vertical direction of Stage II but is detrimental to the layer growth of Stage I. Broadening the growth of Stage I could realize near-equilibrium growth of GaN crystals and improve the crystalline quality of epitaxial GaN crystals. The specific mechanisms of the different stages of GaN crystal growth were not clarified in the previous work. Through a combination of experimental and simulation calculations, the GaN crystal growth mechanism was discussed. Based on the growth mechanism acquired, the growth process may be effectively regulated to obtain high-quality GaN single crystals. [ABSTRACT FROM AUTHOR]

To reveal the dynamic shear mechanical properties of laser cladding Inconel 625 (IN625) alloy, dynamic shear mechanical properties experiments are conducted on forged specimens and laser cladding specimens by split Hopkinson press bar experimental device. Optical microscopy, scanning electron microscopy, and electron backscattered diffraction (EBSD) are used to characterize the microscopic morphology, crystal orientation, and grain size of laser cladding specimens before and after dynamic shear deformation. In the results, it is shown that the yield strength and shear strength of both forged and laser clad specimens increase with the increase of shear strain rate, reflecting a remarkable strain‐rate‐strengthening effect, and the shear strength of the laser cladding specimen is higher than that of the forged specimen. After dynamic shear loading, the grains in the shear region of the laser cladding specimen are severely deformed, deformation bands appear, and some dendrites are transformed into equiaxed crystal. After shear deformation, the preferred orientation strength of the crystal increases, the small‐size grain and low‐angle grain boundary increase, and a large number of dislocations are formed in the shear region, which dominates the dynamic shear deformation behavior of the material. Dislocation is an important dominant mechanism of dynamic shear deformation. [ABSTRACT FROM AUTHOR]

In this study, two different grades of wafers, production grade and dummy grade, were employed for defect comparison. Wet etching with KOH was utilized to reveal defects on the surface of silicon carbide wafers. Optical microscopy and laser scanning confocal microscopy were employed for analysis, enabling an exploration of the performance differences between wafers of the two grades. The surface topography and etch pit profile depth were analyzed and discussed to evaluate the quality of wafers of each grade. The surface topography analysis reveals that production-grade wafers exhibit significantly fewer defects, and the types of defect differ between the two grades. Dummy-grade wafers display four defect types, micropipe (MP), threading screw dislocation (TSD), threading edge dislocation, and basal plane dislocation, whereas production-grade wafers have only two defect types, TSD and MP. Additionally, the etch pit depth serves as a criterion for classifying the four defect types. When the dimensions of surface shape and profile depth are similar, the location of the pit bottom within the profile can also be used as a judgment criterion. [ABSTRACT FROM AUTHOR]

It is now well established that, upon decreasing system sizes down to a few μ m or below, the nature of plasticity of metallic materials is changing. Two important features of this small-sizes plasticity are two size effects, which can be summed up as "smaller is stronger" and "smaller is wilder", this last observation meaning that the jerkiness of plastic deformation becomes prominent at small enough system sizes. In FCC and HCP materials, this is now rather well understood within the framework of obstacle-controlled plasticity, from the key role of a scaling ratio between the system size L and an internal scale l mainly dictated by dislocation patterning in pure materials, or by the nature of extrinsic disorder in alloys. The situation is more complex in BCC materials, for which screw dislocation motion becomes lattice-controlled, i.e. is thermally activated, below a transition temperature T a . Therefore, in small-sized BCC systems, temperature, size and strain-rate effects combine to give rise to a complex landscape. We show, from an analysis of the literature as well as micropillar compression tests on Molybdenum performed with different sample sizes, under different temperatures and different applied strain-rates, that (i) near or above T a , the plasticity of pure BCC metals is athermal and obstacle-controlled, much like at bulk scales, therefore mimicking that of pure FCC metals; (ii) below T a and for sample sizes larger than ∼ 1 μ m, BCC plasticity becomes lattice-controlled, this damping dislocation avalanches and thus reducing wildness; but (iii) for very small systems, still below T a , the role of screw dislocations on plasticity vanishes, i.e. is no more lattice-controlled, opening again the door for wild plastic fluctuations and jerkiness. [ABSTRACT FROM AUTHOR]

Single-phase body-centered cubic (bcc) refractory medium- or high-entropy alloys can retain compressive strength at elevated temperatures but suffer from extremely low tensile ductility and fracture toughness. We examined the strength and fracture toughness of a bcc refractory alloy, NbTaTiHf, from 77 to 1473 kelvin. This alloyÕs behavior differed from that of comparable systems by having fracture toughness over 253 MPa•m1/2, which we attribute to a dynamic competition between screw and edge dislocations in controlling the plasticity at a crack tip. Whereas the glide and intersection of screw and mixed dislocations promotes strain hardening controlling uniform deformation, the coordinated slip of <111> edge dislocations with {110} and {112} glide planes prolongs nonuniform strain through formation of kink bands. These bands suppress strain hardening by reorienting microscale bands of the crystal along directions of higher resolved shear stress and continually nucleate to accommodate localized strain and distribute damage away from a crack tip. [ABSTRACT FROM AUTHOR]

Dark‐field X‐ray microscopy (DFXM) is a full‐field imaging technique that non‐destructively maps the structure and local strain inside deeply embedded crystalline elements in three dimensions. In DFXM, an objective lens is placed along the diffracted beam to generate a magnified projection image of the local diffracted volume. This work explores contrast methods and optimizes the DFXM setup specifically for the case of mapping dislocations. Forward projections of detector images are generated using two complementary simulation tools based on geometrical optics and wavefront propagation, respectively. Weak and strong beam contrast and the mapping of strain components are studied. The feasibility of observing dislocations in a wall is elucidated as a function of the distance between neighbouring dislocations and the spatial resolution. Dislocation studies should be feasible with energy band widths of 10−2, of relevance for fourth‐generation synchrotron and X‐ray free‐electron laser sources. [ABSTRACT FROM AUTHOR]

Olivine grains from the Seymchan pallasite were studied using optical microscopy, Raman spectroscopy, and scanning electron microscopy (SEM). Olivine is characterized by the presence of hollow straight channels <1 µm wide and inclusions of hollow negative crystals of prismatic habit 1–2 µm thick. The channels are oriented parallel to [001] of olivine and developed along [001] screw dislocations. The elongation axes of negative crystals are also oriented parallel to [001]. In the channels, hollow segments alternate with segments filled with metallic iron. Negative crystals are crystallographically faceted voids in olivine; the largest of them contain inclusions of metallic iron. The rectilinear configuration and crystallographic orientation of the channels correspond to the characteristics of [001] screw dislocations, which allows us to consider [001] dislocations as channel precursors. The data obtained demonstrate for the first time the evolution of [001] dislocations in olivine as a result of the shock-induced reduction of divalent iron during the interaction of olivine with the host FeNi metal. A model is proposed for the transformation of dislocations with the formation of channels and hollow negative crystals in Seymchan olivine in accordance with one of the reactions: According to the model, at T > 1000°C the reduction process is accompanied by an increase in the concentration of Fe0 and associated vacancies ( and ) in dislocation zones. Voids in channels and negative crystals are the products of the annihilation of anionic and cationic structural vacancies having opposite charges. Phase association formed in this solid-state transformation of olivine corresponds to either OSI (olivine → SiO2 + 2Fe0) or OPI (olivine → pyroxene + Fe0) buffer equilibrium. The results can be used for the reconstruction of the thermal and shock histories of different types of pallasites. [ABSTRACT FROM AUTHOR]

In these studies, radio frequency (RF) magnetron sputtering was used to produce nanostructured CuO thin films on glass bases with different thicknesses of (250, 300, and 350 nm). X-ray diffraction (XRD) analysis of these films revealed a polycrystalline structure with a preferred peak along the (111) plane. The Scherrer formula was used to compute the grain size. It was found that the average grain sizes are 10.78 nm, 11.36 nm, and 11.84 nm for film thicknesses of 250, 3000, and 300 nm, respectively, while the dislocation density and strain values decline. The surface roughness decreased from 9.30 nm to 4.71 nm as the thickness increased, according to atomic force microscopy (AFM) data. As the thickness of the film grew, the root mean square (RMS) roughness likewise decreased from 9.18 nm to 4.29 nm. The homogenous, semi-spherical structure comprises uniformly distributed particles, as demonstrated by SEM images. The optical properties of the grown films showed that the absorption coefficient considerably increased with film thickness. Transmittance, band gap, refractive index, and extinction coefficient all decrease with increasing film thickness. The hydrogen gas measurements, indicated a reduction in sensitivity as the thickness and gas concentration increased at 30°C. [ABSTRACT FROM AUTHOR]

The composition and microstructure of phyllosilicates are prone to transformation due to their great sensitivity to surrounding physicochemical changes. Berthierine [(R2+,R3+,□)6(Si,Al)4O10(OH)8] (□ represents octahedral vacancy) is a typical ferromagnesian phyllosilicate that commonly occurs in ferruginous rocks of shallow-marine habitats and has been used as an indicator of local depositional and/or hydrothermal activity in marine environments. However, little is known about the formation and mineralogy of non-marine berthierine, particularly in volcanic systems. Using high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM), we have identified a berthierine twin structure within weakly altered biotite in a rhyolite from Long Valley, California, U.S.A. The presence of nanoscale Fe-rich layers in the host biotite is revealed by energy-dispersive spectroscopy and electron energy loss spectroscopy (EELS). The HAADF-STEM pictures with atomic resolution demonstrate that the Fe-rich layers are composed of twinning berthierine layers rather than a single chlorite layer. The transformation of biotite to berthierine requires the dissolution of a tetrahedral (T) layer and the introduction of a new TO (O represents octahedral sheet) structure into the biotite stacking sequence, resulting in substituting one biotite layer (i.e., TOT) with two twinning berthierine layers (i.e., TO-OT). Observations based on morphology indicate that the transformation began at biotite defect locations (such as screw dislocation, edge dislocation, and microcleavage fracture), concurrent with the rearrangement of metal cations. During the fluid alteration of biotite, berthierine was produced via an interface-coupled dissolution-reprecipitation process. The EELS analyses further demonstrate that the Fe-rich biotite promotes the production of berthierine as the principal alteration product in low-temperature environments. Additionally, this study suggests that the combination of HAADF-STEM and EELS is effective for identifying nanominerals and elucidating their formation and alteration mechanisms. [ABSTRACT FROM AUTHOR]

The contributions of magnetohydrodynamic (MHD) vortexes to chiral electrodeposition in a vertical magnetic field were theoretically examined based on the three-generation model of the 2D nucleus, 3D nucleus, and screw dislocation; for the vortexes to rotate in the second and third-generation, the kinematic viscosity must be at least 10−18 and 10−30 times lower than the ordinary value in the first generation, i.e., almost equal to zero. This implies that the ionic vacancy created on the electrode surface works as an atomic-scale lubricant. At the same time, the vortexes played three roles: promotion and suppression of nucleation, and transport of the chirality from the upper generation to the lower generation through precessional motion. Then, the rule of the chirality transfer was established, and finally, the relationship between the chiral activity and magnetic field was clarified in the presence and absence of chloride ions. [ABSTRACT FROM AUTHOR]

The as-received commercial Inconel 718 material was solid solution heat treated (ST), cold-rolled (CR), and precipitation-hardened (PH) to investigate the effects of deformation on the tensile properties, hardness, and texture. Three sets of specimens (0%, 20%, and 50% CR) were ST at 1100 °C/1 h, CR, and aged (720 °C/8 h + 650 °C/8 h) for the analysis. The ultimate tensile strength (UTS), 0.2% yield strength (YS), and elongation of 50% deformed condition were 1645 MPa, 1512 MPa, and 3.8%, respectively. The 20% deformation resulted in a balanced UTS (1348 MPa), YS (1202 MPa), and elongation (11%). The contribution of precipitation hardening to the strength decreased, while the contribution of CR increased with an increasing percentage of deformation. As the level of deformation increased, the size and quantity of γ″ decreased proportionally. The CR specimens produced a high density of nano/micro twins with twin planes oriented perpendicular to the RD-ND surface. The gradient of crystal orientation and internal features of large austenitic grains were generated by their preferred rotation. The cross-slip of screw dislocations induced a complete β-fiber consisting of {110}<112>, {112}<111>, and {123}<634>, with doubled intensity at the higher deformation. Additionally, the specimens were highly susceptible to the twinning-induced orientation emerged by a predominant <110>//ND. In the as-deformed condition, an incomplete but intense α-fiber, clustered between {110}<001> and {110}<112>, was characterized. Apart from achieving the highest strength, the current work demonstrates the effects of CR on the material strength without the complex influences of δ precipitates. [ABSTRACT FROM AUTHOR]

Spontaneous polarization as large as ∼ 28 μ C / cm 2 was recently observed around the dislocation cores in non-polar SrTiO 3 bulk crystals, and its origin was attributed to the flexoelectric effect, i.e., polarization induced by strain gradients. However, the roles of flexoelectricity, relative to other electromechanical contributions, and the nature of dislocations, i.e., edge vs screw dislocations in the induced polarization, are not well understood. In this work, we study the role of flexoelectricity in inducing polarization around three types of dislocation cores in SrTiO 3 : b = a (100) edge dislocation, b = a (110) edge dislocation, and b = a (010) screw dislocation, where b is the Burgers vector. For the edge dislocations, polarization can be induced by electrostriction alone, while flexoelectricity is essential for stabilizing the symmetric polarization pattern. The shear component of the flexoelectric tensor has a dominant effect on the magnitude and spatial distribution of the flexoelectric polarization. In contrast, no polarization is induced around the b = a (010) screw dislocation through either electrostriction or flexoelectricity. Our findings provide an in-depth understanding of the role of flexoelectricity in inducing polarization around dislocation cores and offer insights into the defect engineering of dielectric/ferroelectric materials. [ABSTRACT FROM AUTHOR]

The strength and ductility of polycrystalline metals are influenced by the interactions between dislocations and grain boundaries, particularly when the grain size is small. One possible reaction is the absorption of dislocations into the grain boundary structure; however, the mobility of the resulting grain boundary dislocations (GBDs) remains largely unexplored. Thus, the objective of this work is to determine the mobility of GBDs arising from the absorption of lattice screw dislocations into Σ3{111} and Σ11{113} <110> symmetric tilt grain boundaries (STGBs) in Al. Atomistic simulations reveal a reduction in Peierls stress of ∼80% and phonon damping coefficient of ∼65% for GBDs in the {111}<110> STGB compared to lattice screw dislocations. This significant mobility increase is caused by the complete dissociation of the absorbed dislocation. The Peierls stress of GBDs in the {113}<110> STGB is increased to almost 8 times that of the lattice screw dislocation due to the smaller interplanar spacing between slip planes. This work provides a structural justification for the absorption reactions and demonstrates that the mobility of an absorbed dislocation is highly sensitive to the structure of the host grain boundary. Ultimately, mobility laws are provided which can be used to model GBD motion in mesoscale simulations. [ABSTRACT FROM AUTHOR]