Behavior Of Materials Research Articles

Data analysis of non-linear radiative electro-periodic MHD flow past a stretching sheet with activation energy impact

Electro-periodic Magneto-hydrodynamics (EPMHD), activation energy, and non-linear radiation are pivotal elements in engineering and industry also contribute to advancements in fields like heat transfer, materials science, and chemical engineering. Through similarity transformation, governing partial differential equations simplify into ordinary differential equations. Precise computational solutions are derived using the Nachtsheim-Swigert shooting iteration method (NSSIM) and the reliable 6th-order Runge-Kutta integration algorithm (RKIA). The profiles of velocities, temperatures, concentrations, skin friction, heat and mass transfer rate are presented by graphically. The novel aspect of this research is that thermal performance is enhanced by non-linear radiation by around 2.28%, whereas linear radiation only produces a 0.28% improvement in thermal performance. Also the mass transfer rate experiences a decrease of about 25.76% with increasing chemical reactions in the presence of activation energy and a more substantial 62.22% reduction in its absence, notably showing a comparatively milder decline of 36.46% in the presence of activation energy than in its absence. Furthermore, this study yields three novel linear regression equations, skillfully derived from the numerical and graphical results. This research have practical applications in understanding and optimizing processes involving fluid dynamics, such as the behavior of certain materials or substances subjected to stretching or deformation.

Building a DFT+U Machine Learning Interatomic Potential for Uranium Dioxide

Despite uranium dioxide (UO2) being a widely used nuclear fuel, fuel performance models rely extensively on empirical correlations of material behavior, leveraging UO2 historical operating experience. Mechanistic models that consider an atomistic understanding of the processes governing fuel performance (such as fission gas release and creep) will enable a better description of fuel behavior under non-prototypical conditions such as in new reactor concepts or for modified UO2 fuel compositions. To this end, molecular dynamics simulation is a powerful tool for rapidly predicting physical properties of proposed fuel candidates. However, the reliability of these simulations depends largely on the accuracy of the atomic forces. Traditionally, these forces are computed using either a classical force field (FF) or density functional theory (DFT). While DFT is relatively accurate, the computational cost is burdensome, especially for f-electron elements, such as actinides. By contrast, classical FFs are computationally efficient but are less accurate. For these reasons, we report a new accurate machine learning interatomic potential (MLIP) for UO2 that provides high-fidelity reproduction of DFT forces at a similar low cost to classical FFs. We employ an active learning approach that autonomously augments the DFT training data set to iteratively refine the MLIP. To further improve the quality of our predictions, we utilize transfer learning to retrain our MLIP to higher-accuracy DFT+U data. We validate our MLIPs by comparing predicted physical properties (e.g., thermal expansion and elastic properties) with those from existing classical FFs and DFT/DFT+U calculations, as well as with experimental data when available.

Fractional modeling of cyclic loading behavior of polymeric materials

Fractional modeling of cyclic loading behavior of polymeric materials

Advanced hybrid composites: A comparative study of glass and basalt fiber reinforcements in erosive environments

AbstractThis study looks at how erosive wear affects hybrid composites made by vacuum infusing glass and basalt fibers into an epoxy matrix. The study uses garnet abrasives and a design experiment method to test how resistant these hybrid composites are to erosion at 30°, 60°, and 90° angles of impact. The analysis included three‐dimensional profilometry and scanning electron microscopy. Results show that glass layers enhance erosion resistance, whereas basalt layers increase wear. Key quantitative findings include erosion rates and mass loss, highlighting impingement angle and erosion time as critical factors. At a 30° angle, basalt exhibited more severe wear (erosion rate: 0.8090 mg/g for 20 s) compared to glass (erosion rate: 0.5683 mg/g). Conversely, at 90°, the erosion rate for basalt decreased to 0.3643 mg/g, indicating a decreased sensitivity to this steeper angle. According to the ANOVA, impingement angle and erosion time account for 30.08% and 50.25% of the erosion rate variance, respectively. These findings advance our understanding of material behavior in hybrid composites and emphasize the strategic selection and layering of materials for enhanced durability. This research contributes to developing more sustainable composites, demonstrating natural fibers' potential to improve mechanical properties and erosion resistance.Highlights Glass layers enhance durability against erosive forces in hybrid composites. Basalt layers accelerate erosion rates, showing a need for strategic layering. Glass fiber reinforcement significantly improves wear performance. Hybrid constructions with glass a top basalt balance flexibility and durability. Emphasizes eco‐friendly advantages of natural materials in composites.

In-situ synchrotron diffraction analysis of deformation mechanisms in an AA5083 sheet metal processed by modified equal-channel angular pressing

Severe plastic deformation (SPD) is a process to significantly improve the mechanical properties of materials by grain refinement. For forming at room temperature (RT), higher strengths can thus be achieved; for increased temperatures (HT), greater elongations can be achieved. This great potential has been chiefly applied only on laboratory scale due to a lack of industrial process design. Equal-channel angular pressing (ECAP) offers the possibility to integrate these advantages in industrial processes. This paper investigates a modified ECAP process for aluminum AA5083 sheet metal. Two passes of ECAP for sheet metal and an additional heat treatment were used. To study the material deformation on a micro-scale, in-situ synchrotron measurements at DESY (Hamburg) were performed to analyze the evolution of lattice strains and dislocation densities during tensile testing. The mechanical properties of the ECAP-processed sheet material reveal an increase in yield strength and a decrease in elongation at RT. Higher strains can be measured for the processed material at elevated test temperatures. In-situ diffraction results show a changed behavior of the ECAP sheet material compared to the reference material for both temperature regimes. These changes are based on the increased defect density in the material, which leads to increased strength at RT. At HT, dynamic recrystallization occurs during tensile testing, and the prevailing deformation mechanisms reconfigure. Electron backscatter diffraction (EBSD) and micrographs are used to interpret and supplement the observations. The findings provide the basis for the in-depth understanding of the deformation behavior of the material and help to apply the ECAP process on an industrial scale.

Auxetic hybrid metamaterial with tunable elastic wave bandgap

Abstract Auxetic metamaterials have shown good stability and uniform deformation capabilities against influences (vibration, temperature change, load change), making them significant in maintaining and adjusting the bandgap of phonon crystals. The low-frequency and broadband are the important goals of phonon crystals. For most traditional re-entrant honeycomb structures (T-RHS), the bandgap range is narrow and tunability is poor. Here, an auxetic hybrid structure with tunable acoustic bandgap (AHS-T) consisting of periodic mass inclusions integrated with traditional re-entrant honeycomb and chiral hybrid is proposed. Aiming at investigating the tunability of the bandgap in the low-frequency range. Compared with T-RHS, the bandgap real-time adjustment and wider bandwidth of the AHS-T be realized during compression and tension. The numerical results show that the bandgap of the AHS-T can be flexibly tailored by reasonably adjusting the strain and geometrical configurations of AHS-T. The bandwidth of AHS-T can be increased to 87.1% when the bottom diameter and column height H of the scatterer are changed reasonably. Moreover, the deformation behavior of auxetic material has an auxiliary effect on expanding the bandwidth. Compared with the structure which is not subjected to load, the adjustable amplitude of the bandgap is 41%. The findings of this work provide a design idea for manipulating elastic waves in dynamic environment.

A model for physical dislocation transmission through grain boundaries and its implementation in a discrete dislocation dynamics tool

The mechanical behavior of most metals in engineering applications is dominated by the grain size. Physics-based models of the interaction between dislocations and the grain boundary are important to correctly predict the plastic deformation behavior of polycrystalline materials. Dislocation-grain boundary interaction is complex and a challenge to model. We present a model for simulating the physical transmission of dislocations through grain boundaries within Discrete Dislocation Dynamics tools. The properties (glide plane, Burgers vector, initial length) of the transmitted dislocation are chosen based on geometric criteria as well as a maximization of the resolved shear stress of the transmitted dislocation. Additionally, stress and displacement transparency as well as the discontinuity are ensured via a grain boundary dislocation – a butterfly-like geometry in the general case – whose properties are selected to minimize the residual Burgers vector at the interface. This additional ‘grain boundary dislocation’ allows a direct comparison as well as a calibration of the model with experiments on the macroscale particularly for neighboring grains with a high dislocation density contrast. Two basic examples illustrate the model and an application to a 40-grain polycrystal demonstrates the scalability of the approach.

Plastically Deformed Tubes Subjected to Mechanical Expansion Processes

In engineering, the stress state of expanded tubes is crucial for ensuring structural integrity and preventing stress corrosion cracking. The analysis of stresses and strains in tubes subjected to mechanical expansion using an ogive bullet is essential, yet existing theoretical methods for estimating the stress distributions, especially with spherical and ogive shapes, are sparse. This study explores the expansion of 3/8 inch copper and stainless-steel tubes using an expanding bullet, where tangential and longitudinal strains are measured. A novel analytical approach is introduced to evaluate the stresses and strains, segmenting the tube into three zones, each analyzed with a distinct theory. Validation is achieved through an axisymmetric finite element model that employs a multi-linear kinematic hardening material behavior. The analytical model also estimates the expanding mandrel’s push force, which is then compared with the results from numerical simulations and experimental data, showing good agreement across methods.

Modification of the Reloading Plastic Modulus in Generalized Plasticity Models for Soil by Introducing a New Equation for the Memory Parameter in Cyclic Loadings

Nowadays, with the widespread supply of very powerful laboratory and computer equipment, it is expected that the analyses conducted for geotechnical problems are carried out with very high precision. Precise analyses lead to better knowledge of structures’ behavior, which, in turn, reduces the costs related to uncertainty of materials’ behavior. A precise analysis necessitates a precise knowledge and definition of the behavior of the constituent materials, which itself requires applying an appropriate constitutive model to show the behavior of materials. Constitutive models used in the generalized plasticity framework are very powerful constitutive models for the simulation of sand behavior. However, the simulation of a cyclic behavior in these models, especially the simulation of the undrained cyclic behavior, is not well-recognized. In this study, in order to eliminate the weakness of generalized constitutive models under cyclic loading, a new equation is presented to substitute the so-called coefficient of the discrete memory factor to consider the loading history in such a way that the plastic modulus is modified during reloading and, as a result, more appropriate predictions of sand behavior are obtained. The performance accuracy of the proposed coefficient was evaluated in accordance with the experimental data. Finally, the results show that after using the modification of the loading history coefficient, predictions of the constitutive model are significantly improved.

Analysis of the Mechanical Behavior and Joint Shear Capacity Optimization of Glued Keys in Segmental U-Shaped Bridges

This paper presents an in-depth analysis of the mechanical behavior and joint shear capacity optimization of segmental U-shaped bridges, with a focus on the application of precast segmental techniques in the construction of U-beam bridges widely used in urban rail transit networks. This study further explores the roles of key position distribution and size in the overall stability and service behavior of such structures. Considering the critical case study of the Colombia Bogotá Metro Line 1 project, finite element modeling was carried out using ABAQUS 6.14 to simulate concrete material behaviors and to evaluate the stress–strain relationship in accordance with the concrete plastic damage model and existing standards. This research identifies the significant contribution of keys in minimizing deformation and enhancing shear capacity, demonstrating the pivotal influence of shear key design on the mechanical behavior of segmental bridges. By calculating the shear capacity under different cases, this study provides recommendations on key distributions and dimensions that optimize joint shear capacities, indicating that augmenting key size within the web plate section decisively reinforces the bridge’s mechanical resilience.

Brittle and ductile yielding in soft materials

Many soft materials yield under mechanical loading, but how this transition from solid-like behavior to liquid-like behavior occurs can vary significantly. Understanding the physics of yielding is of great interest for the behavior of biological, environmental, and industrial materials, including those used as inks in additive manufacturing and muds and soils. For some materials, the yielding transition is gradual, while others yield abruptly. We refer to these behaviors as being ductile and brittle. The key rheological signatures of brittle yielding include a stress overshoot in steady-shear-startup tests and a steep increase in the loss modulus during oscillatory amplitude sweeps. In this work, we show how this spectrum of yielding behaviors may be accounted for in a continuum model for yield stress materials by introducing a parameter we call the brittility factor. Physically, an increased brittility decreases the contribution of recoverable deformation to plastic deformation, which impacts the rate at which yielding occurs. The model predictions are successfully compared to results of different rheological protocols from a number of real yield stress fluids with different microstructures, indicating the general applicability of the phenomenon of brittility. Our study shows that the brittility of soft materials plays a critical role in determining the rate of the yielding transition and provides a simple tool for understanding its effects under various loading conditions.

Atomistic Insights into Nucleation of Ferroelastic Domains in PbTiO3.

Understanding the nucleation mechanism of domains is essential for domain engineering of perovskite ferroelectric materials. We proposed and examined atomistic details for nucleating ferroelastic (FS) domains by integrating topological analysis and first-principles calculations. FS domains are crystallographically treated as deformation twins. The conventional shear-shuffle nucleation mechanism under simple shear deformation is ruled out because the 1-layer elementary twinning disconnection (TD) cannot nucleate and glide in a perfect matrix. Thus, the pure-shuffle nucleation mechanism under pure shear deformation is proposed due to kinetically favored atomic shuffling. The coherency stress associated with the coherent nucleus is relaxed via forming misfit dislocations, accompanied by formation and sharpening of diffused (110)m∥(110)d domain walls (DWs). The sharp DWs enable growth of the FS nucleus through successive nucleation and gliding of TDs. These findings enrich the knowledge of domain behavior in perovskite ferroelectric materials.

Inherent Behavior of Electrode Materials of Lithium-Ion Batteries.

For independency from the fossil fuels and to save environment, we need to move toward the green energies, which requires better energy storage devices, especially for usage in electric vehicles. Li-ion and beyond-lithium insertion batteries are promising to this aim. However, they suffer from some inherent limitations which must be understood to allow their development and pave the way to find suitable energy storage alternatives. It is found that each positive or negative electrode material (cathode or anode) of the intercalation batteries has its own behavioral (charge-discharge) properties. The modification of preparation parameters (composition, loading density, porosity, particle size, etc.) may improve some aspects of the electrode performance, but cannot change the intrinsic property of the electrode itself. Accordingly, these properties are called as the "inherent behavior characteristics" of the active material. It is concluded that the behavior of a specific electrode substance, even following different preparation routes, depends only on diffusion mechanisms. This work shows that the inherent electrode properties can be visualized by representation of current density vs. capacity.

Using the Discontinuous Bi-viscosity model to analyze the three-dimensional flow field and local scour behavior around the Claviaster libycus

Abstract Previous studies have suggested that irregular echinoids exhibit higher survival rates than regular echinoids following mass extinctions. This study focuses on the irregular echinoid Claviaster libycus, investigating its flow field and scour behavior under extreme water flow conditions through numerical simulations and experiments. The numerical model Splash3D used in this study was modified from the open-source code Truchas developed by the U.S. National Laboratory. Splash3D solves the three-dimensional incompressible Navier-Stokes Eqs.. The fluid volume method describes the water surface kinematics and sand surface kinematics. Since Claviaster libycus is semi-submerged in the sand, a discontinuous bi-viscosity model describes the rheological behavior of the bed material. The research findings indicate that when the gonopore of Claviaster libycus faces downstream, there is no evident horseshoe vortex flow, which contributes to reducing the occurrence of localized scour. This also validates the hypothesis of this study: the transition of echinoids from pentaradial symmetry to bilateral symmetry assists in stabilizing bottom sediments and reducing localized scour.

Neural network-driven interpretability analysis for evaluating compressive stress in polymer foams

This research presents a method to analyze how neural network models, applied to Expanded Polypropylene and Expanded Polystyrene foams, predict their compressive stress responses. By using SHAP values and Partial Dependence Plots, the study elucidates the models’ decision-making processes. It focuses on three main features for both materials: density, loading rate, and strain, with an additional feature concerning loading and unloading for Expanded Polystyrene foam. The findings highlight that increased density and loading rate are closely correlated with higher compressive responses, and strain emerges as the most influential factor for the response of both materials. Partial Dependence Plots reveal a linear relationship with density, whereas other variables demonstrate non-linear relationships. These results validate the use of neural networks in analyzing material behavior, showing that the models’ outputs are in line with empirical observations. In conclusion, as presented, the integration of interpretability tools with neural network models offers a robust method for material response analysis, contributing to a deeper understanding of material science.

Multiaxial yield behavior of 2D re-entrant auxetic cellular materials

A series of re-entrant honeycombs (RH) with different off-axis angles and perturbation parameters are constructed and utilized to numerically explore the multiaxial yield behavior for 2D auxetic cellular materials. The off-axis angle significantly affects the anisotropic properties and Poisson's ratio of RH. The effects of microstructural irregularity on the multiaxial yield surfaces are also evaluated for all of the topologies. Simulation results under principal stress space, mean stress-effective stress space and normal stress-shear stress space reveal that the unique microstructure of auxetic cellular materials makes its mechanical properties significantly different from conventional cellular materials with positive Poisson's ratio. Furthermore, a pressure-dependent anisotropic phenomenological yield criterion is proposed for 2D auxetic cellular materials, which can effectively capture the multiaxial yield behavior of RH with different topologies in principal stress space. The present conclusions provide fresh insights into the microstructural design of auxetic cellular materials and pave the way for their future engineering applications.

Adding mechanobiological cell features to finite element analysis of an immediately loaded dental implant.

Finite element analysis (FEA) has been used to analyze the behavior of dental materials, mainly in implantology. However, FEA is a mechanical analysis and few studies have tried to simulate the biological characteristics of the healing process of loaded implants. This study used the rule of mixtures to simulate the biological healing process of immediate implants in an alveolus socket and bone-implant junction interface through FEA. Three-dimensional geometric models of the structures were obtained, and material properties were derived from the literature. The rule of mixtures was used to simulate the healing periods-immediate and early loading, in which the concentration of each cell type, based on in vivo studies, influenced the final elastic moduli. A 100 N occlusal load was simulated in axial and oblique directions. The models were evaluated for maximum and minimum principal strains, and the bone overload was assessed through Frost's mechanostat. There was a higher strain concentration in the healing regions and cortical bone tissue near the cervical portion. The bone overload was higher in the immediate load condition. The method used in this study may help to simulate the biological healing process and could be useful to relate FEA results to clinical practice.

Development of a hybrid material with auxetic phase

AbstractHybrid multiphase materials exhibit a wide range of desirable properties, which may be tailored to the needs of their user or application. Modern solutions often use advanced smart materials with specific properties, which in some cases allow the development of devices previously impossible to manufacture due to restrictions of conventional materials. There is ongoing research on multiphase materials composed of phases with differing Poisson’s ratios, which have increased elastic modulus compared to their respective monophase components. Precise analysis of multiphase materials composed of periodic microstructures is possible with the use of multiscale modeling methods and numerical homogenization of individual phases’ geometric structures into homogenous materials retaining the properties of their representative volume elements. Auxetic materials behavior under loading differs from conventional materials. Their Poisson’s ratio value is negative, which means that when they are uniaxially stretched they both elongate and expand laterally, and while uniaxially compressed they both shorten and shrink laterally. While seemingly changing volume, their density remains constant in microscale. Deformation causes the gaps in auxetics patterned structure to change shape and size, but the actual material of the structure remains unchanged. This paper presents the results of development of a multiphase hybrid material with auxetic phase, in two variants. First, with the goal of maximization of the material’s elastic modulus. Second, to obtain a zero-value effective Poisson’s ratio. Different patterns of phases distribution in the material were analyzed. A few different auxetic structures were taken into consideration. Optimization utilized numerical simulation based on finite element method.

Experimental and numerical studies of the effects of micro/nano carbon fibers in the dynamic behavior of cement-based grouting materials for reinforcement of sand layers

Geological hazards of sand layers pose a serious threat to engineering safety. Grouting reinforcement technology is widely used in such conditions due to its convenience, economy, and effectiveness. To explore the reinforcement effect of carbon fiber (CF) modified cement-based grouting materials on sand layers, grouting solidified bodies (GSB) with CF contents of 0.0%, 0.5%, 1.0%, and 1.5% are selected for Split Hopkinson Pressure Bar (SHPB) impact tests, scanning electron microscope (SEM) scanning, and numerical simulation experiments. The mechanical properties of specimens under dynamic impact conditions and the reinforcement mechanism of CF are studied. Results show that GSB is a strain-rate-dependent material. With the increase of impact rate, peak stress, incident energy, transmitted energy, and dissipated energy of specimens gradually increase, while the integrity of specimens decreases. The CF content remarkably affects the mechanical properties of specimens. When the impact rate is constant, with the increase of CF content, the peak stress and transmitted energy of specimens show a decreasing–increasing– decreasing trend, and the performance of CF-1.0% specimens is optimal. The cement matrix is the main energy storage and release medium, accounting for 97.66% of the energy. When damaged, the cement matrix is mainly fractured. At the microcrack tip, CF influences the direction of crack propagation, reducing the radius of crack propagation, and the main failure mode of CF is debonding. CF can substantially improve the mechanical properties of specimens and reduce the number of cracks. Compared with CF-0.0%-cementitious material (CM) specimens, the peak stress of CF-1.0%-CM specimens is increased by 19.98%. The magnitude of CF force is related to the angle between crack and CF. As the angle increases from 0° to 90°, the CF force gradually increases, reaching the maximum at 90°, with an increase of 133.82%. At this angle, the anti-cracking effect of CF is most substantial. The research results can provide technical support for sand layer grouting reinforcement technology.

Study on the sustained release behavior of a slow-release scale-inhibiting material

Study on the sustained release behavior of a slow-release scale-inhibiting material