Elastic Distortion Research Articles

Interface compatibility and hysteresis in shape memory materials are affected by lattice distortions from applied stresses

Significant effort has been put into designing shape-memory materials that can survive many cycles without functional or structural fatigue. A component of the design process is the condition defining perfect interface compatibility between the austenite and martensite lattices (λ2=1). In this paper, we evaluate the traditional mathematical theories of martensite under applied stresses, which distort the lattice compatibility through elastic strains. In NiTi we find that elastic distortions resulting from applied stresses influence the interface compatibility to a degree of impacting the material's functional abilities. Combining our results with empirical relationships connecting interface compatibility to transformation hysteresis we show that the model matches reasonably to a number of experimental results in the literature in which hysteresis changes under applied loads. We also apply these theories to a shape-memory ceramic (zirconia), which suggests a large orientation-dependence and asymmetric behavior in tension and compression. In both systems, we find that variant selection plays a large role in whether interface compatibility will improve or worsen under stress.

Deciphering the Effect of Defect Dipoles on the Polarization and Electrostrain Behavior in Perovskite Ferroelectrics.

Defect dipoles are crucial for regulating electromechanical properties in piezoelectric ceramics, but their effects on polarization and electrostrain behaviors are still unclear. Here, a reasonable theoretical model is proposed and evidenced by experiments to address a long-standing puzzle of the relationship between the internal bias field and defect dipoles. By incorporating the additional polarization induced by defect dipoles, we refine the classical theory to account for the recently reported asymmetric giant-strain behaviors. Phase-field simulation reveals the electrostrain evolution in response to defect dipole elastic distortion and additional polarization. This work not only elucidates the effect of defect dipoles on polarization and electrostrain but also advances the theoretical understanding of defects in piezoelectrics.

Investigation on the Thermal–Mechanical Properties of YbRESiO5 (RE = Yb, Eu, Gd, Ho, Tm, Lu, Y, Sc): First-Principles Calculations and Thermal Performance Experiments

Environmental barrier coatings are critically needed in the future to safeguard SiC-based ceramic matrix composites (SiC CMCs) used in gas turbines. Element doping of rare earth monosilicates could further improve the properties of the coating. The crystal structure, elastic properties, and resistance to water vapor corrosion of Yb2SiO5 and YbRESiO5 (where RE = Sc, Y, Eu, Gd, Ho, Tm, Lu) were examined in this study using first-principles calculations. When RE is Yb, the material is Yb2SiO5. Based on the outcomes of the calculation, we prepared YbRESiO5 (RE = Sc, Yb, Eu) and studied the thermodynamic properties. The findings show that YbReSiO5’s resistance to water vapor corrosion is as follows: YbLuSiO5 < YbEuSiO5 < YbGdSiO5 < YbYSiO5 < Yb2SiO5 < YbTmSiO5 < YbHoSiO5 < YbScSiO5. YbScSiO5 has a lower unit cell volume, average Re-O bond length, and thermal expansion coefficient than Yb2SiO5, while YbEuSiO5 has the reverse pattern. Moreover, of the eight materials, YbScSiO5 has the greatest elastic modulus and lattice distortion. After doping with Eu, YbEuSiO5 exhibits a decrease in thermal conductivity by nearly thirty percent compared to Yb2SiO5, due to the formation of oxygen vacancies. The development of environmental barrier coating materials may benefit from these discoveries.

Coupling Phase Field Crystal and Field Dislocation Mechanics for a consistent description of dislocation structure and elasticity

This work addresses differences in predicted elastic fields created by dislocations either by the Phase Field Crystal (PFC) model, or by static Field Dislocation Mechanics (FDM). The PFC order parameter describes the topological content of the lattice, but it fails to correctly capture the elastic distortion. In contrast, static FDM correctly captures the latter but requires input about defect cores. The case of a dislocation dipole in two dimensional, isotropic, elastic medium is studied, and a weak coupling is introduced between the two models. The PFC model produces compact and stable dislocation cores, free of any singularity, i.e., diffuse. The PFC predicted dislocation density field (a measure of the topological defect content) is used as the source (input) for the static FDM problem. This coupling allows a critical analysis of the relative role played by configurational (from PFC) and elastic (from static FDM) fields in the theory, and of the consequences of the lack of elastic relaxation in the diffusive evolution of the PFC order parameter.

Homogenization treatment-induced reduction of brittle intermetallic compounds in Ti2AlNb/Ti60 brazed joints: Effect on microstructure and mechanical properties

The microstructure evolution and mechanical properties of Ti2AlNb/Ti-36.5Zr–10Ni–15Cu-0.5Co-0.5Nb/Ti60 brazed joints before and after homogenization treatment were comprehensively evaluated. Initially, the joints brazed at 900 °C for 15 min exhibited a continuous coarse strip network of Ti2Cu, Ti2Ni, Zr2Cu and Zr2Ni brittle intermetallic compounds in the central region of the braze seam, which detrimentally affecting the mechanical properties. Subsequent homogenization at 600 °C for 1 h, the amount of continuous brittle intermetallic compounds significantly decreased through sufficient atomic diffusion. Concurrently, the inadequately transformed eutectic β-Ti within the intermetallic compounds underwent an active eutectoid reaction. This structural transformation established a coherent interface with elastic distortion between the α-Ti and intermetallic compounds, effectively minimizing the lattice mismatch. Thus, a widmanstatten structure (i.e., acicular intermetallic compounds within a eutectoid microstructure matrix) with improved mechanical properties was formed. Consequently, a mean shear strength of 350.3 MPa was attained after treatment at 600 °C for 1 h, marking a substantial 206 % increase compared to that before homogenization treatment. This finding underlines the pivotal role of homogenization treatment in optimizing the performance of aeroengine components.

Trapping of isotropic droplets by disclinations in nematic liquid crystals controlled by surface anchoring and elastic constant disparity.

Linear defects such as dislocations and disclinations in ordered materials attract foreign particles since they replace strong elastic distortions at the defect cores. In this work, we explore the behavior of isotropic droplets nucleating at singular disclinations in a nematic liquid crystal, predesigned by surface photopatterning. Experiments show that in the biphasic nematic-isotropic region, although the droplets are attracted to the disclination cores, their centers of mass shift away from the core centers as the temperature increases. The shift is not random, being deterministically defined by the surrounding director field. The effect is explained by the balance of interfacial anchoring and bulk elasticity. An agreement with the experiment can be achieved only if the model accounts for the disparity of the nematic elastic constants; the so-called one-constant approximation, often used in the theoretical analysis of liquid crystals, produces qualitatively wrong predictions. In particular, the experimentally observed shift towards the bend region around a +1/2 disclination core can be explained only when the bend constant is larger than the splay constant. The described dependence of the precise location of a foreign inclusion at defect cores on the elastic and surface anchoring properties can be used in rational design of microscale architectures.

Elastocapillary interaction for particles trapped at the isotropic-nematic liquid crystal interface.

We present numerical simulations on pairwise interactions between particles trapped at an isotropic-nematic liquid crystal (Iso-N) interface. The particles are subject to elastocapillary interactions arising from interfacial deformations and elastic distortions of the nematic phase. We use a recent model based on a phase-field approach [see Qiu etal., Phys. Rev. E 103, 022706 (2021)2470-004510.1103/PhysRevE.103.022706] to take into account the coupling between elastic and capillary phenomena. The pair potential is computed in a two-dimensional geometry for a range of particle separations and two anchoring configurations. The first configuration leads to the presence of an anchoring conflict at the three-phase contact line, whereas such a conflict does not exist for the second one. In the first case, the results show that significant interfacial deformations and downward particle displacements occur, resulting in sizable attractive capillary interactions able to overcome repulsive elastic forces at intermediate separations. The pair potential exhibits an equilibrium distance since elastic repulsions prevail at short range and prevent the clustering of particles. However, in the absence of any anchoring conflict, the interfacial deformations are very small and the capillary forces have a negligible contribution to the pair potential, which is fully repulsive and overwhelmed by elastic forces. These results suggest that the self-assembly properties of particles floating at Iso-N interfaces might be controlled by tuning anchoring conflicts.

Revealing the three-dimensional arrangement of polar topology in nanoparticles

In the early 2000s, low dimensional ferroelectric systems were predicted to have topologically nontrivial polar structures, such as vortices or skyrmions, depending on mechanical or electrical boundary conditions. A few variants of these structures have been experimentally observed in thin film model systems, where they are engineered by balancing electrostatic charge and elastic distortion energies. However, the measurement and classification of topological textures for general ferroelectric nanostructures have remained elusive, as it requires mapping the local polarization at the atomic scale in three dimensions. Here we unveil topological polar structures in ferroelectric BaTiO3 nanoparticles via atomic electron tomography, which enables us to reconstruct the full three-dimensional arrangement of cation atoms at an individual atom level. Our three-dimensional polarization maps reveal clear topological orderings, along with evidence of size-dependent topological transitions from a single vortex structure to multiple vortices, consistent with theoretical predictions. The discovery of the predicted topological polar ordering in nanoscale ferroelectrics, independent of epitaxial strain, widens the research perspective and offers potential for practical applications utilizing contact-free switchable toroidal moments.

Dislocations in nonlocal simplified strain gradient elasticity: Eringen meets Aifantis

The nonlocal strain gradient elasticity theory is used to address mechanical problems at small scales where size effects and regularization cannot be neglected. In this work, dislocations are investigated in the framework of nonlocal simplified first strain gradient elasticity. It is shown that nonlocal simplified strain gradient elasticity is the unification of the theories of Eringen’s nonlocal elasticity of Helmholtz type and simplified first strain gradient elasticity. Nonlocal simplified strain gradient elasticity contains two characteristic lengths, namely the characteristic length of nonlocal elasticity of Helmholtz type and the characteristic length of simplified first strain gradient elasticity. The advantage of nonlocal simplified first strain gradient elasticity is that the displacement, elastic distortion, plastic distortion, total stress, Cauchy stress and double stress fields of screw and edge dislocations which are calculated here are nonsingular and finite everywhere. Moreover, the Peach-Koehler force of two screw dislocations and two edge dislocations is derived and it is shown that the Peach-Koehler force is also nonsingular. Numerical examples for all dislocation fields of screw and edge dislocations in aluminum are given.

Non-singular straight dislocations in anisotropic crystals

A non-singular dislocation theory of straight dislocations in anisotropic crystals is derived using simplified anisotropic incompatible first strain gradient elasticity theory. Based on the non-singular theory of dislocations for anisotropic crystals, all dislocation key-formulas of straight dislocations are derived in generalized plane strain, for the first time. In this model, the singularity of the dislocation fields at the dislocation core is regularized owing to the nonlocal nature of strain gradient elasticity. The non-singular dislocation fields of straight dislocations are obtained in terms of two-dimensional anisotropic Green functions of simplified anisotropic strain gradient elasticity. All necessary Green functions, including the two-dimensional Green tensor of the twofold anisotropic Helmholtz-Navier operator and the two-dimensional F\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\varvec{F}$$\\end{document}-tensor of generalized plane strain, are derived as sum of the classical part and a gradient part in terms of Meijer G-functions. Among others, we calculate the regularization of the Barnett solution for the elastic distortion of straight dislocations in an anisotropic crystal. In the framework of simplified anisotropic first strain gradient elasticity, the necessary material parameters are computed for cubic materials including aluminum (Al), copper (Cu), iron (Fe) and tungsten (W) using a second nearest-neighbour modified embedded-atom-method interatomic potential. The elastic distortion and stress fields of screw and edge dislocations of 12⟨111⟩\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\frac{1}{2} \\langle 111\\rangle$$\\end{document} Burgers vector in bcc iron and bcc tungsten and screw and edge dislocations of 12⟨110⟩\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\frac{1}{2} \\langle 110\\rangle$$\\end{document} Burgers vector in fcc copper and fcc aluminum have been computed and presented in contour plots.

Biaxial Structures of Localized Deformations and Line-like Distortions in Effectively 2D Nematic Films

We numerically studied localized elastic distortions in curved, effectively two-dimensional nematic shells. We used a mesoscopic Landau-de Gennes-type approach, in which the orientational order is theoretically considered by introducing the appropriate tensor nematic order parameter, while the three-dimensional shell shape is described by the curvature tensor. We limited our theoretical consideration to axially symmetric shapes of nematic shells. It was shown that in the surface regions of stomatocyte-class nematic shell shapes with large enough magnitudes of extrinsic (deviatoric) curvature, the direction of the in-plane orientational ordering can be mutually perpendicular above and below the narrow neck region. We demonstrate that such line-like nematic distortion configurations may run along the parallels (i.e., along the circular lines of constant latitude) located in the narrow neck regions of stomatocyte-like nematic shells. It was shown that nematic distortions are enabled by the order reconstruction mechanism. We propose that the regions of nematic shells that are strongly elastically deformed, i.e., topological defects and line-like distortions, may attract appropriately surface-decorated nanoparticles (NPs), which could potentially be useful for the controlled assembly of NPs.

Applications of vector bundle to finite elasto-plasticity

A new approach to finite elasto-plasticity of crystalline materials, with a differential geometry point of view toward the material description, is proposed. In order to define the plastic and elastic distortions, traditionally it is accepted the existence of an intermediate configuration, which is endowed with a differential manifold structure. A more restrictive but physically and mathematically well-motivated structure is assigned to the intermediate configuration, namely, a vector bundle structure. Two approaches to multiplicative decomposition of the deformation gradient can be rebuilt if on the same total space (intermediate configuration) the vector bundle structures are considered, but either the reference configuration, B (i.e., plastic assumption) or the deformed configuration, B t (i.e., elastic assumption) stands for the base space. As the base spaces are homeomorphic, a pullback vector bundle over one base space is provided by the other one through the motion diffeomorphism. Thus, the total space is endowed with different differential manifold structures. The plastic distortion and the inverse elastic distortion, respectively, are defined for any material points as linear, invertible, and non-integrable maps from the tangent vector space at their material points, with the value on the attached vector fiber. The multiplicative decompositions into their non-integrable components are derived, based on the associate inverse elastic distortion and plastic distortion, respectively. When the plastic and elastic assumptions are simultaneously accepted, then a three-term multiplicative decomposition of the deformation gradient is achieved. The transition functions, which characterize the compatibility of the overlapping charts which belong to these different structures, namely of the vector bundle and of the pullback vector bundle over the same configuration, say B define the non-uniqueness of the two-term multiplicative decomposition. The material symmetry transformation is defined for elastic-type materials. The compatibility of the models and examples of the bundle vector structures are also discussed.

Electrophoretic propulsion of matchstick-shaped magnetodielectric particles in the presence of external magnetic fields in a nematic liquid crystal.

Synthesis of micro- and nanoparticles of pre-designed shape and surface properties is an integral part of soft and synthetic active matter. We report synthesis of matchstick-shaped (MS) magnetodielectric particles and demonstrate their potential as active agents with field-controllable trajectories in a nematic liquid crystal (NLC). The MS particles with homeotropic anchoring in NLCs align either parallel or perpendicular to the director depending on the dipolar or quadrupolar director distortions. When subjected to transverse electric and magnetic fields, the particles experience electric and magnetic torques trying to align them in the respective field directions. At equilibrium, the long axis is tilted at an angle with respect to the director. The change in orientation alters the surrounding elastic distortion, which results in unbalanced electroosmotic flows. These flows provide the necessary impetus for propelling the particles in various directions with different velocities depending on their orientations.

Residual stress development and thermo-elasto-plastic distortion in brake discs

The relationship between thermo–elasto–plastic deformation during braking and the residual stress in brake discs is investigated experimentally in this study. X-ray diffraction is conducted to validate the residual stress distribution in the depth direction, whereas the cut/sectioning method is used to quantitatively measure the residual stress across a broader disc area. In addition, thermo–elastic distortion is quantified using thermal strain measured using a dynamometer. The compressive residual stress is distributed on both the circumferential and radial surfaces of unused brake discs with a magnitude of approximately 30 MPa, which transforms into a tensile stress exceeding 50 MPa in the circumferential direction after continuous braking tests, thus resulting in thermo–elastic distortion. This distortion is proportional to the tensile stress developed along the braking direction, which is primarily caused by plastic deformation due to external force and temperature gradient from the disc surface and core. The distortion magnitude ranges from 60 to 140 µm, depending on the type of pad material. Thermo–elastic disc distortion can be reduced by releasing tensile stress on the plastically deformed disc surface through abrasive wear using frictional pads. However, the magnitude of the initial compressive stress has minor effect on the distortion. The present experimental study provides insights into factors that affect thermo–elasto–plastic distortion in brake discs as well as methods that can reduce the distortion of brake discs in the design stage.

Enhancing Auditory Brainstem Response Classification Based On Vision Transformer

Abstract A method for testing the health of ear’s peripheral auditory nerve and its connection to the brainstem is called an auditory brainstem response (ABR). Manual quantification of ABR tests by an audiologist is not only costly but also time-consuming and susceptible to errors. Recently in machine learning have prompted a resurgence of research into ABR classification. This study presents an automated ABR recognition model. The initial step in our design process involves collecting a dataset by extracting ABR test images from sample test reports. Subsequently, we employ an elastic distortion approach to generate new images from the originals, effectively expanding the dataset while preserving the fundamental structure and morphology of the original ABR content. Finally, the Vision Transformer method was exploited to train and develop our model. In the testing phase, the incorporation of both the newly generated and original images yields an impressive accuracy rate of 97.83%. This result is noteworthy when benchmarked against the latest research in the field, underscoring the substantial performance enhancement achieved through the utilization of generated data.

PB-LNet: a model for predicting pathological subtypes of pulmonary nodules on CT images

ObjectiveTo investigate the correlation between CT imaging features and pathological subtypes of pulmonary nodules and construct a prediction model using deep learning.MethodsWe collected information of patients with pulmonary nodules treated by surgery and the reference standard for diagnosis was post-operative pathology. After using elastic distortion for data augmentation, the CT images were divided into a training set, a validation set and a test set in a ratio of 6:2:2. We used PB-LNet to analyze the nodules in pre-operative CT and predict their pathological subtypes. Accuracy was used as the model evaluation index and Class Activation Map was applied to interpreting the results. Comparative experiments with other models were carried out to achieve the best results. Finally, images from the test set without data augmentation were analyzed to judge the clinical utility.ResultsFour hundred seventy-seven patients were included and the nodules were divided into six groups: benign lesions, precursor glandular lesions, minimally invasive adenocarcinoma, invasive adenocarcinoma Grade 1, Grade 2 and Grade 3. The accuracy of the test set was 0.84. Class Activation Map confirmed that PB-LNet classified the nodules mainly based on the lungs in CT images, which is in line with the actual situation in clinical practice. In comparative experiments, PB-LNet obtained the highest accuracy. Finally, 96 images from the test set without data augmentation were analyzed and the accuracy was 0.89.ConclusionsIn classifying CT images of lung nodules into six categories based on pathological subtypes, PB-LNet demonstrates satisfactory accuracy without the need of delineating nodules, while the results are interpretable. A high level of accuracy was also obtained when validating on real data, therefore demonstrates its usefulness in clinical practice.

Efficient Tin Perovskite Solar Cells via Suppressing Autoxidation in Inert Atmosphere.

The unsatisfactory power conversion efficiency (PCE) and long-term stability of tin perovskite solar cells (TPSCs) restrict its further development as alternatives to lead perovskite solar cells (LPSCs). Considerable research has focused on the negative impacts of O2 and H2 O, while discussions about degradation mechanism in an inert atmosphere remains insufficient. Herein, the light-induced autoxidation of tin perovskite in nitrogen atmosphere is revealed for the first time and the elastic lattice distortion is demonstrated as the crucial role of rapid degradation. The continuous injection of photons induces energy transfer from excited A-site cations to vibrating Sn-I framework, leading to the elastic deformation of perovskite lattice. Consequently, the over distorted Sn-I framework releases free iodine and further oxidizes Sn2+ in the form of molecular iodine. Through an appropriately designed light-dark cyclic test, a remarkable PCE of 14.41% is achieved based on (Cs0.025 (MA0.25 FA0.75 )0.975 ) 0.98 EDA0.01 SnI3 solar cells, which is the record of hybrid triple TPSCs so far. The findings unveil autoxidation as the crux of TPSCs' degradation in an inert atmosphere and suggest the possibility of reinforcing the tin perovskite lattice towards highly efficient and stable TPSCs.

Correlation between parameters in the microstructural vector theory and Hill's plastic potential

The dissipation inequality provides a useful method for specifying constitutive equations of plastic deformation. There are two main ways to use the dissipation inequality to determine the plastic deformation path: by utilizing a plastic potential with the normality rule, or by not utilizing the plastic potential to determine the plastic flow according to the elastic distortion of the material coordinate axis (microstructural vectors). While both methods satisfy the inequality condition and predict experimental results well, they have been developed separately without discussion on relationship. This study presents a physics-based mathematical discussion on the relative dependence between the two methods of determining plastic flow and their point of connection, using Hill's quadratic plastic potential. For this, the conversion of the distortional length and angle changes in microstructural vectors to deviatoric strain tensor under small elastic deformation conditions is mathematically demonstrated. Using these equations, the rate of inelastic deformation derived from microstructural vectors exhibited a similar form to that derived from Hill's quadratic potential. Moreover, the model parameters of the microstructural vectors can be calibrated using the Hill's function. The plastic flow derived from the microstructural vectors and Hill's function exhibited a remarkably similar trend under the assumption of small elastic deformation, although not identical. The newly defined relationships were implemented numerically and validated through simulations. The parameters of the microstructural vector theory derived from Hill's plastic potential can be utilized in materials science and engineering.

Non-spherical assemblies of chitin nanocrystals by drop impact assembly

Preparing complex non-spherical assemblies of elongated nanoparticles and exploring their topological conformations is a challenge due to liquid crystals' mobility and elastic distortion. Here, we fabricated a variety of non-spherical liquid crystal assemblies of chitin nanocrystals (ChNCs) in a coagulation bath containing sodium triphosphate (STP) by drop impact assembly method, and the forming mechanism and internal topology were systematically investigated. The collection height, ChNCs concentration, and STP concentration have significant influence on the shape and size of the assembled structures. Long-range ordered structures and long-lived topological textures of the ChNCs liquid crystal can be obtained since a molecular interaction of hydrogen bonding and electrostatic attractions between ChNCs and STP occur during the impact assembly. Rheological and kinetic analysis suggested the shear thinning behavior of the ChNCs liquid crystals and the rapid gelation phenomenon of ChNCs induced by STP. Morphology results showed that the rod-like ChNCs in the non-spherical assemblies were orderly and closely arranged with periodic repetition and layered structure. The non-spherical assemblies of ChNCs liquid crystals can be used as carriers of carbon nanotubes, magnetic Fe3O4 nanoparticles, synthesized polymers, and anticancer drugs for functional composite applications. The drop impact assembly method of ChNCs liquid crystal structure is highly controllable on the composition, morphology, and function, which shows promising applications in energy, environmental-friendly, and bioactive materials.

Biexciton-like Auger Blinking in Strongly Confined CsPbBr3 Perovskite Quantum Dots.

Perovskite quantum dots (QDs) with high room-temperature luminescence efficiency have been applied in single-photon sources. While the optical properties of large, weakly confined perovskite nanocrystals have been extensively explored at the single-particle level, few studies have focused on single-perovskite QDs with strong quantum confinement. This is mainly due to their poor surface chemical stability. Here we demonstrate that strongly confined CsPbBr3 perovskite QDs (SCPQDs) embedded in a phenethylammonium bromide matrix exhibit a well-passivated surface and improved photostability under intense photoexcitation. We find that in our SCPQDs, photoluminescence blinking is suppressed at moderate excitation intensities, and increasing the excitation rates leads to weak photoluminescence intensity fluctuations accompanied by an unusual spectral blue-shift. We attribute this to a biexciton-like Auger interaction between excitons and trapped excitons formed by surface lattice elastic distortions. This hypothesis is corroborated by the unique repulsive biexciton interaction observed in the SCPQDs.