Microscopic Material Properties Research Articles

High-capacity and high-stability capacitive desalination with dual redox-active MnCo2S4/g-C3N4 heterojunction electrode

Capacitive deionization (CDI) utilizing dual redox-active electrodes has shown significant promise in desalinating low-concentration brackish waters, which is crucial for addressing global freshwater shortages. However, improvements in salt adsorption capacity and long-term operational stability are still required. In this study, we introduce, for the first time, a binary metal sulfide MnCo2S4/g-C3N4 (MCS-CN) heterojunction as a CDI electrode. The innovative integration of dual redox-active centers and heterojunction structures in the MCS-CN composite electrodes underscores their potential for achieving both high capacity and stability in capacitive desalination applications. The microscopic morphology, crystal structure, pore structure, and surface valence properties of the MCS-CN heterojunction composite materials were extensively characterized using various analytical techniques. In-situ X-ray diffraction, refined ex-situ X-ray photoelectron spectroscopy, three-electrode electrochemical analysis, and theoretical calculations were employed to elucidate the electrosorption and desorption mechanisms of sodium ions with the MCS-CN electrodes and to clarify the enhanced desalination performance of the binary metal sulfide-based heterojunction structure. As a result, the optimal MCS-CN-40 electrode exhibited the highest salt removal capacity of 71.64 mg/g and maintained stable desalination performance over 100 cycles in a 500 mg L−1 NaCl solution. This innovative approach provides a noval perspective for developing heterojunction electrodes with high redox activity and efficient desalination performance.

Dislocation random walk under cyclic deformation.

Dislocation motion under cyclic loading is of great interest from theoretical and practical viewpoints. In this paper, we develop a random walk model for the purpose of evaluating the diffusion coefficient of dislocation under cyclic loading condition. The dislocation behavior was modeled as a series of binomial stochastic processes (one-dimensional random walk), where dislocations are randomly driven by the external load. The probability distribution of dislocation motion and the diffusion coefficient per cycle were analytically derived from the random-walk description as a function of the loading condition and the microscopic material properties. The derived equationwas validated by comparing the predicted diffusion coefficient with the molecular dynamics simulation result copper under cyclic deformation. As a result, we confirmed fairly good agreement between the random walk model and the molecular dynamics simulation results.

Design and Preparation Technology of Green Multiple Solid Waste Cementitious Materials.

For solid waste-based cementitious materials, most scholars focus their research on the hydration reaction of cementitious materials, but there is still a lack of solid waste design that comprehensively considers mechanical properties and durability. Therefore, this article focuses on exploring the mix of design and the microscopic and macroscopic properties of multi solid waste cementitious materials (MSWCMs), namely steel slag (SS), slag powder (SP), desulfurization gypsum (DG), fly ash (FA), and ordinary Portland cement (OPC). According to the orthogonal experimental results, the compressive strength of MSWCMs is optimal when the OPC content is 50% and the SS, SP, DG, and FA contents are 10%, 20%, 5%, and 15%, respectively. The MSWCMs group with an OPC content of 50% and SS, SP, DG, and FA contents of 5%, 15%, 5%, and 25% was selected as the control group. The pure OPC group was used as the blank group, and the optimal MSWCMs ratio group had a 28-day compressive strength of 50.7 megapascals, which was 14% and 7.6% higher than the control group and blank group, respectively. The drying shrinkage rate and resistance to chloride ions were also significantly improved, with maximum increases of 22.9%, 22.6%, and 8.9%, 9.8%, respectively. According to XRD, TG-DTG, and NMR testing, the improvement in macroscopic performance can be attributed to the synergistic effect between various solid wastes. This synergistic effect produces more ettringite (AFt) and C-(A)-S-H gel. This study provides a good theoretical basis for improving the comprehensive performance of MSWCMs and is conducive to reducing the use of cement, with significant economic and environmental benefits.

The Influence of Quartz Powder on the Mechanical–Thermal–Chemical–Durability Properties of Cement-Based Materials

Using industrial by-products to replace cement is an important way to reduce carbon emissions in the cement industry. The purpose of this article is to understand the effect of quartz powder on the properties of cement-based materials. Experimental studies were conducted on the macroscopic and microscopic properties of cement-based materials mixed with quartz powder to evaluate their feasibility as a replacement for cement. The substitution rates of quartz powder were 0% (Qu0), 7.5% (Qu7.5), and 15% (Qu15). The test time was from 1 day to 28 days, and the main results are as follows: In the early stage of the hydration reaction, as the amount of quartz powder substitution increases, the cumulative hydration heat increases. This is mainly because the nucleation effect of quartz powder accelerates the hydration reaction of cement. In the later stage of the hydration reaction, as the amount of quartz powder substitution increases, the cumulative heat of hydration decreases. This is mainly due to the diluting effect of quartz powder. For Qu0, Qu7.5, and Qu15, the decrease in compressive strength after 1 day is not obvious. The decrease in compressive strength at 28 days is more obvious. Overall, there are exponential relationships between the UPV measurement or surface resistivity results and the compressive strength measurement results at 1, 3, 7, and 28 days. The XRD test results show that the main products of the reaction are AFt, CH, Hc, and Mc. From Day 1 to Day 28, the content of Mc becomes evident. The test results for TG showed that, as the amount of quartz powder substitution increases, the mass loss decreases. For different specimens of Qu0, Qu7.5, and Qu15 at different test times (3 and 28 days), there is an exponential function relationship between chemically bound water and strength. A numerical hydration model is proposed for cement–quartz binary blends. The parameters of the hydration model are determined based on the hydration heat normalized by the cement mass. Moreover, the hydration heat at 28 days is calculated using the proposed model. The strength development of all specimens and all test ages can be expressed as an exponential function of hydration heat.

Microscopic mechanical properties of rockfill materials under different stress paths

Microscopic mechanical properties of rockfill materials under different stress paths

Characterization of DC performance and low-frequency noise of an array of nMOS Forksheets from 300 K to 4 K

The DC and low-frequency noise performance of an array of 800 parallel Forksheet MOSFETs were investigated by performing measurements over a wide temperature range from 300 K to 4 K. The array structure allowed to measure a representative average performance of the devices and provided a large effective area for 1/f noise analysis. Results showed an improvement in the saturation drain current when going from room temperature to cryogenic temperatures, with the subthreshold swing saturating around 100 K and the threshold voltage shifting by approximately 150 mV, following similar trends observed in Silicon cryogenic electronics. Additionally, the study confirms that the noise at cryogenic temperatures does not follow the commonly assumed linear scaling with temperature. This deviation from the linear scaling has been associated with the presence of tail states at the interface in bulk and silicon-on-insulator (SOI) devices. These results suggest that the excess 1/f noise in this advanced device architecture is not related to the device architecture but rather to the microscopic material properties of semiconductor/dielectric interfaces.

Modeling the single particle crushing behavior by random discrete element method

Microscopic properties of granular materials typically exhibit significant heterogeneity. Realistic particle crushing simulation in granular materials requires the use of model that incorporate the spatial heterogeneity of its microscopic properties. This study introduces a novel approach, the Random Field Theory-Discrete Element Method (RFT-DEM) model, to simulate the single-particle crushing behavior of granular materials, considering the spatial heterogeneity of microscopic properties within particles. The material heterogeneity was characterized through Random Field Theory, demonstrating reasonable consistency between simulated and experimental results. The size-dependent characteristics of crushing strength and Weibull modulus were confirmed through a series of single-particle crushing simulations, emphasizing the model's capability to capture such features. Systematic analyses explored the impact of coefficient of variation (COV) and scale of fluctuation (SOF) on single-particle crushing behavior. Increasing COV resulted in reduced characteristic crushing strength and Weibull modulus, with larger particles exhibiting greater sensitivity. Furthermore, increasing SOF initially increased these parameters until a threshold SOF value of 0.0005 m, beyond which they stabilized. Reduced COV or increased SOF diminished the size effect in characteristic crushing strength, and once COV exceeded a threshold of 0.03, the size effect became independent of its variations. These findings contribute to a comprehensive understanding of the intricate interplay between microscopic properties and crushing behavior in granular materials.

Study on the Influence of Glass Powder Fineness and Substitution Rate on the Microscopic Properties of Cement-Based Materials

Study on the Influence of Glass Powder Fineness and Substitution Rate on the Microscopic Properties of Cement-Based Materials

Machine learning assisted materials design of high-speed railway wheel with better fatigue performance

To improve the fatigue fracture resistance of high-speed railway wheels, this paper studies the matching optimization design of microscopic crystal parameters of wheel materials based on machine learning methods. The microscopic crystal parameters of a pearlitic steel of high-speed railway wheel are collected, the relationship between microscopic crystal parameters and material properties of wheel material is studied. Based on machine learning methods including artificial neural network, random forest, support vector machine and K-nearest neighbor, the influence of the microscopic crystal parameters on the material properties of wheel steel is studied. The results show that the artificial neural network has a higher prediction accuracy, the microstructure parameters have a complex effect on fatigue performance of the wheel. When the prior austenite grain size of the structure is 55–65 μm, the pearlite colony size is 27–29 μm, and the pearlite interlamellar spacing is 95–105 nm, the fatigue resistance of the wheel steel is the best, and the fatigue strength is 528 MPa. The optimization result meets the requirements of high-speed railway wheel strength evaluation standard with a higher safetyfactor by finite element simulation.

A review of microscopic characterization and related properties of fiber-incorporated cement-based materials

Abstract Fiber-reinforced concrete (FRC) has apparent benefits over traditional cementitious composites and possesses a great prospect in civil engineering projects. Previous studies reported that fiber admixtures could effectively enhance the mechanical properties, impermeability, and durability of cementitious composites. Nevertheless, the trade-off of the reinforcing efficiency, cost, and properties of the cementitious composites in different aspects has been a challenge in the application of FRC to practical engineering. This article summarizes a review concerning the recent development of FRC enhanced by different fibers and mainly focused on the fiber-reinforcing effects on the microstructure and the corresponding properties of cementitious composites. The addition of a small amount of fiber material has a significant change in the microstructure and related properties of cement-based materials, but the presence of fibers also causes structural damage and other problems. The direction of future development of some cutting-edge technologies such as coating and hybridization methods on fiber modification was concluded to assist further research in FRC. This review will further enhance the understanding of fiber for reinforcing cementitious composites.

Ultralow Expansion Glass as Material for Advanced Micromechanical Systems

Ultralow expansion (ULE) glasses are of special interest for temperature stabilized systems for example in precision metrology. Nowadays, ULE materials are mainly used in macroscopic and less in micromechanical systems. Reasons for this are a lack of technologies for parallel fabricating high‐quality released microstructures with a high accuracy. As a result, there is a high demand in transferring these materials into miniaturized application examples, realistic system modeling, and the investigation of microscopic material properties. Herein, a technological base for fabricating released micromechanical structures and systems with a structure height above 100 μm in ULE 7972 glass is established. Herein, the main fabrication parameters that are important for the system design and contribute thus to the introduction of titanium silicate as material for glass‐based micromechanical systems are discussed. To study the mechanical properties in combination with respective simulation models, microcantilevers are used as basic mechanical elements to evaluate technological parameters and other impact factors. The implemented models allow to predict the micromechanical system properties with a deviation of only ±5% and can thus effectively support the micromechanical system design in an early stage of development.

The Influence of Rehydration on the Properties of Portland Cement-Based Materials with Low Water/Binder Ratios: A Review of Existing Research.

Cement-based materials with a low water/binder ratio contain a high number of unhydrated cement particles, which implies that a rehydration reaction occurs when they encounter water again. This study aimed to explore how rehydration influences the macroscopic and microscopic properties of cement-based materials. The key study findings included that rehydration could still occur in cement-based materials after one year of hydration, and that the capacity for rehydration-induced repair or damage to cement-based materials depended on whether their internal pores could accommodate rehydration products. During rehydration, the compressive strength and porosity of the specimens were found to first increase and then decrease. The capillary water absorption coefficient decreased continuously over a rehydration period of 120 days. As the water/binder ratio rose, the rehydration rate first increased and then decreased. First, the influence of temperature on the rehydration rate was more noticeable when the water/binder ratio was below 0.3; second, whereas adding large amounts of fly ash and silica fume did not prove to be conducive to repairing and enhancing cement-based materials undergoing rehydration, adding slag and small quantities of silica fume, or alternatively compounding small amounts of silica fume and fly ash could improve the repair and enhancement effects of rehydration.

Temperature-dependent model for ferroelectrics embedded into two-dimensional polygonal finite element framework

A two-dimensional constitutive model, which is based on micromechanical rotation of domains, is presented in this work to demonstrate the non-linear behavior of ferroelectric materials under different loading conditions. A temperature-dependent combined material model that incorporates both phases i.e., tetragonal and rhombohedral phases is embedded into two-dimensional polygonal finite element framework. The developed material model which has easily overcome shortcomings related to tetragonal model and rhombohedral model alone. This model is developed on the morphotropic phase boundary which has produced desired behavior based on macroscopic material parameters. Temperature effects on behavior of combined material model are obtained in the work. Furthermore, polarization rotation test and temperature effects on polarization rotation are also studied in present work. There are numerous studies conducted on ferroelectric materials. All of them incorporate behavior of ferroelectric material confined to specific conditions. Either tetragonal model or rhombohedral model has been used extensively to get the desired behavior based on macroscopic material parameters. This model has some limitations in either satisfying one or another condition related to experiments conducted to study the behavior of ferroelectric materials. The tetragonal material model is capable of producing results with microscopic material properties but in case of macroscopic material parameters the tetragonal model is insufficient to produce the desired behavior for PZT ceramics. The rhombohedral material model is sufficient to produce results based on macroscopic material parameters. Therefore, model is extended by rhombohedral phase, allowing a mixture of both phases with varying quantities inside the grain. Though, rhombohedral model is also not used to that extent. We have developed material model that gives desired behavior and overcomes the hurdles in the existing model.

A Review on the Morphology and Material Properties of the Gas Separation Membrane: Molecular Simulation.

Gas membrane separation technology is widely applied in different industry processes because of its advantages relating to separation performance and economic efficiency. It is usually difficult and time consuming to determine the suitable membrane materials for specific industrial separation processes through traditional experimental research methods. Molecular simulation is widely used to investigate the microscopic morphology and macroscopic properties of materials, and it guides the improvement of membrane materials. This paper comprehensively reviews the molecular-level exploration of the dominant mechanism and influencing factors of gas membrane-based separation. The thermodynamics and kinetics of polymer membrane synthesis, the molecular interactions among the penetrated gases, the relationships between the membrane properties and the transport characteristics of different gases in the composite membrane are summarized and discussed. The limitations and perspectives of the molecular simulation method in the study of the gas membrane separation process are also presented to rationalize its potential and innovative applications. This review provides a more comprehensive reference for promoting the materials' design and engineering application of the gas separation membrane.

Study on the multiscale properties of cement-based materials containing nano-bubble water

In this work, the effects of nanobubble water (NBW) on the durability, rheology, macromechanics, and microscopic properties of cement-based materials were investigated. NBW did not significantly improve the fluidity and compressive strength of the concrete with strength grades below C25; however, it did significantly improve the fluidity and inhibit the slump loss of concrete with strength grades above C30, while the compressive strengths of the samples at different ages increased to varying degrees. NBW could also improve the durability of the concrete (sulfate resistance, carbonation resistance, and single-side freeze-thaw resistance) to varying degrees. The hydration temperature test, XRD, TGA/DTG, and MIP results indicated that NBW promoted the hydration reaction process and the generation of hydration products such as CSH colloids and CH crystals, which could effectively improve the internal structure of the cement paste, thereby further affecting the macroscopic properties. The mechanism of NBW was such that the high potential adsorption force on the surface of the fine bubbles increased the number of ion nucleation sites in the suspension, which was beneficial for increasing the effective hydration products of the cement in the early stage.

Experimental study on the macroscopic and microscopic mechanical properties of simulated cemented granular materials

As solid matrices can bond with other materials and enhance the mechanical properties of engineering structures, investigating the mechanical properties and cementation mechanism of cemented granular materials has become increasingly significant. However, most experiments were conducted only at macroscopic or microscopic levels. Further, it is difficult to compare and analyze the results at macroscopic and microscopic levels because of the complex spatial and mechanical effects between cemented particles at the mesoscale. In this study, we created a well-defined cohesive granular material with controllable cementation held together by mixing glass beads and a solid matrix. First, we explored the influence of the confining pressure and solid matrix content on the mechanical strength of the cemented granular materials through a consolidated undrained triaxial compression test to address the cementation effect quantitatively. Second, through tensile and shear tests on cemented units with different matrix volumes, the cementation mechanism of the cemented units was explored for the first time from the perspective of the stress–strain relationship. Finally, we qualitatively explained the mechanical phenomena of macroscopic cemented granular materials through the microscopic interaction between particles and realized a multi-scale analysis of the mechanical response of cemented granular materials, which may provide new ideas for the study of cemented granular materials.

Lattice infill structure design of topology optimization considering size effect

The vigorous development of additive manufacturing technology promotes the tendency of lattice infill design to be miniaturized. The representative scale of the deformation field becomes equivalent to the length scale of the microstructures when the characteristics size of the lattice infill design is down to micron or nanoscale, and strain gradient effects or size effects arise in the structure. Due to the lack of microscopic material properties, the typical topology optimization framework based on classical mechanics for lattice infill structure cannot represent the performance difference induced by the size effect. Therefore, single-scale lattice infill structure design and couple stress theory are combined to explore the size effect on topology optimization. Numerical examples show that when the size ratio of the macroscopic feature size to the material characteristic length is reduced to a comparable range, the topological configurations and the target compliance values exhibit a significant size effect.

Correlation Analysis between Microscopic Pore Parameters and Macroscopic Mechanical Properties of Rock-like Materials from the Perspective of Water-Cement Ratio and Sand-Cement Ratio.

To explore the effects of water-cement ratio and sand-cement ratio on micro-pore structure characteristics and macroscopic mechanical properties and thus improve the understanding of rock-like materials, the mechanical test and detection of micro-pore structure combining NMR and SEM were carried out. The effects of WCR and SCR on different porosity parameters and mechanical properties were discussed. The correlation and internal relationship between mechanical properties and parameters of different porosities and fractal dimensions were analyzed. Experimental results showed that the different porosity parameters and fractal dimensions increased with the increase in WCR. 1.0 (SCR) was the turning point of different porosity parameters and fractal dimensions. When the SCR was less than 1.0, the porosity parameters and fractal dimension gradually decreased, while when the SCR was greater than 1.0, the porosity parameters and fractal dimension gradually increased. Microscopic porosity parameters and fractal dimension played an important role in the influence of experimental factors on mechanical properties. Different porosity parameters and fractal dimensions were negatively correlated with mechanical properties. Compressive strength and different porosity parameters conformed to a good exponential relationship, while the fitting relationship between tensile strength and mechanical properties was not obvious. This study can provide a reference for the follow-up study of rock-like materials.

The Effect of Magnesium Chloride on the Macroscopic and MI-Croscopic Properties of Phosphate Cement-Based Materials

Phosphate cement-based materials are fast-hardening cement materials, which have been applied to the rapid repair of concrete structures. However, the excessive setting rate could lead to initial cracks in the cement-based matrix. Therefore, a proper retarder is required to reduce the setting rate, thus improving the strength of structures. In this study, a magnesium chloride retarder was selected, and its influence on the setting time, slump flow, and the mechanical strengths (flexural strength, compressive strength, and bond strength) of phosphate cement paste curing for 3 h~28 d was investigated. Scanning electron microscopy, X-ray diffraction, and thermal analysis were used to analyze the mechanism of the properties of phosphate cement paste. Results showed that the setting time increased exponentially with the mass ratio of magnesium chloride by the total mass of magnesium oxide. Meanwhile, the slump flow increased linearly with the increasing dosage of magnesium chloride, and the drying shrinkage rate exhibited a quadratic function with the curing age. The addition of magnesium chloride decreased the mechanical strengths of phosphate cement paste at earlier curing age (lower than 3 d) and effectively improved the mechanical strengths at a later curing age (equal to or higher than 3 d). Moreover, magnesium chloride could also decrease the drying shrinkage rate. It can be obtained from the microcosmic researching results that magnesium chloride can inhibit the hydration of phosphate cement and reduce cracks induced by drying shrinkage at later curing age (higher than 3 d).

Mechanical Force Induced Formation of Extrinsic Micropores in Coordination Polymers.

Mechanical force can be employed not only to efficiently synthesize new materials under environmentally friendly conditions but also to change the macroscopic and microscopic properties of materials. Although coordination polymers (CPs) are attractive functional materials because they possess high structural designability and diversity, mechanical force-induced structural and functional changes of CPs are challenging issues. In this study, two one-dimensional CPs, one a densely packed nonporous CP [Cu2(bza)4(pyr)] (1) and the other a porous CP [Cu2(1-nap)4(pyr)] (2) (bza = benzoate, 1-nap = 1-naphthoate and pyr = pyrimidine), were subjected to ball-milling to assess the effect of mechanical force on their porosities. Ball mill treatments were found to induce an amorphization and cause a 30 fold enhancement of the CO2 adsorption amount at 195 K and P/P0 ∼ 1 for 1 and a slightly decreased CO2 adsorption amount for 2. The results of thorough characterization studies suggest that the formation of extrinsic micropores in addition to extrinsic mesopores/macropores between particles takes place by ball milling.