Macroscopic Material Properties Research Articles

Experimental Study of Multi-Angle Effects of Micron-Silica Fume on Micro-Pore Structure and Macroscopic Mechanical Properties of Rock-like Material Based on NMR and SEM

The experiment of rock-like material plays an important role in the simulation of engineering fractured rock mass. To further understand the influence of raw materials on rock-like materials, this paper carried out the indoor mechanical properties test and the micro-pore structure detection combining NMR and SEM. The effects of micron-silica fume (SF) on microporous structure parameters and macroscopic mechanical properties under different conditions of water–cement ratio (WCR) and sand–cement ratio (SCR) were discussed. The intrinsic relationship between parameters of different scales was analyzed. The experimental results showed that the porosity parameters of different radii gradually decreased with the increase in SF. The reduction rate of macroporous porosity was the greatest, and the decreasing rate of microporous porosity was the smallest. With the increase in SF, the microscopic characteristics of the internal surface changed from more pores, complex morphological distribution, rough surface to fewer pores, regular morphological distribution and flat and uniform surface. The box fractal dimension also showed a decreasing trend. Micro-pore structure makes a valuable contribution to the influence of SF on mechanical properties. The compressive strength and tensile strength increased with the increase in SF. The box fractal dimension and porosity of different radii were negatively correlated with mechanical strength. Different porosity parameters conformed to a good exponential relationship with mechanical properties. The research results can provide reference value and research space for subsequent rock-like material research.

Three-dimensional strain evaluation of short-fiber-reinforced natural rubber using micro X-ray computed tomography

The vibration damping appears as a macroscopic material property due to the energy dissipation caused by the plastic deformation of the microstructure in the material, but the detailed mechanism is still unknown. This study prepared a damping material based on natural rubber (NR) and investigated its deformation behavior with/without fiber-shaped particles using synchrotron X-ray computed tomography (CT). High-resolution submicron X-ray CT was performed to evaluate the local strain in the microstructure from feature points scattered inside the NR. When the strain distribution changed under stepwise tensile loading, the NR-alone material deformed uniformly at the microscale, whereas the fiber composite rubber deformed nonuniformly. Furthermore, the number and volume of voids increased significantly with the compounding of fiber particles, and their values continued to increase depending on the strain amplitude and the loss factor. Controlling of non-uniform local strain and void formation will enable the design of damping characteristics.

A Simple Elastoplastic Damage Constitutive Model of Porous Rock Materials

Traditional macroscopic phenomenon constitutive model is not easy to describe in the non-linear mechanical properties of porous rock materials, since the effect of porosity does not incorporate into the strength criterion. This paper presents a simple elastoplastic damage constitutive model of porous rock material based on micromechanical theory. To consider the heterogeneities of the studied porous rock, a simplified representative volume element is introduced, and it is assumed that it is made up of randomly distributed spherical pores embedded in a solid matrix obeying Drucker-Prager yield function. Thus, a homogenized plastic criterion considering the effect of porosity is introduced to describe the macroscopic plastic mechanical properties of porous rock materials. In this model, the non-associated flow rule and isotropic strain hardening law are used, and then the degradation of elastic and plastic properties is employed by adopting a damage criterion. This criterion is related to the evolution of equivalent plastic strain. In order to verify the accuracy of the model, the corresponding numerical program was used to realize the micro-macro constitutive model, and the results were compared with the triaxial compression test results of sandstone under different confining pressures. It is observed that the numerical simulation results are in great agreement with the experimental data, indicating that the proposed model is able to predict the main mechanical behavior of porous sandstone.

Quantitative description of filler dispersion in composite materials by fractal analysis and fluorescent labeling‐LSCM visualization technology

AbstractFiller dispersion is one of the key factors that significantly affect the performance of composite materials. Quantitative description of the dispersion state of fillers in composites and the internal relationship between the dispersion state and the macro‐mechanical properties of composites are very important for the performance design, prediction and processing process control of composites. In order to quantitatively and visually describe the dispersion state of inorganic fillers in matrix, research the relationship between fillers dispersion and composites properties. Here, by the fluorescent labeling technology of inorganic fillers and the surface organic modification technology, a modified fluorescently labeled calcium carbonate (MF‐CaCO3) with red fluorescence effect and good dispersibility was obtained, and polypropylene (PP)/MF‐CaCO3 composites with different loadings were prepared (the weight concentrations of MF‐CaCO3 in filler is 2, 5, 10, 15, and 20 wt%, respectively). The fractal dimension D value for evaluating the uniformity of filler dispersion has been successfully received, based on fractal analysis and fluorescent labeling‐laser scanning confocal microscope three‐dimensional (3D) visualization technology. Through the statistical results of experimental data, it was found that the value of fractal dimension D was obviously negatively correlated with the macroscopic mechanical properties of composite materials. When the dispersion of the filler was the best, that is, the fractal dimension D value took on a minimum and the composites had the best impact resistance. At the same time, this method based on fractal analysis and 3D visualization technology provides a new idea for quantitatively describing the dispersion state of fillers and its relationship with the mechanical properties of composites.

Micro-feature-motivated numerical analysis of the coupled bio-chemo-hydro-mechanical behaviour in MICP

A coupled bio-chemo-hydro-mechanical model (BCHM) is developed to investigate the permeability reduction and stiffness improvement in soil by microbially induced calcite precipitation (MICP). Specifically, in our model based on the geometric method a link between the micro- and macroscopic features is generated. This allows the model to capture the macroscopic material property changes caused by variations in the microstructure during MICP. The developed model was calibrated and validated with the experimental data from different literature sources. Besides, the model was applied in a scenario simulation to predict the hydro-mechanical response of MICP-soil under continuous biochemical, hydraulic and mechanical treatments. Our modelling study indicates that for a reasonable prediction of the permeability reduction and stiffness improvement by MICP in both space and time, the coupled BCHM processes and the influences from the microstructural aspects should be considered. Due to its capability to capture the dynamic BCHM interactions in flexible settings, this model could potentially be adopted as a designing tool for real MICP applications.

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.

Local monoclinic polarization rotation promoting a different domain alignment in rhombohedral Pb(Zr,Ti)O3 ferroelectrics

Domain switching takes a substantial role in the macroscopic electrical properties of perovskite-type ferroelectric materials. However, the attainable domain alignment in polycrystalline states is often far away from the saturation due to the constraint of long-range crystallographic symmetry. Herein, we report a field-induced saturated polarization alignment, facilitated by local monoclinic polarization rotation in conventional rhombohedral $\mathrm{Pb}({\mathrm{Zr}}_{0.54}{\mathrm{Ti}}_{0.46}){\mathrm{O}}_{3}$ via advanced electrical basing in situ synchrotron x-ray diffraction and pair distribution function measurements. It is found that the polarization alignment can reach the upper limit of theoretically calculated value in rhombohedral ceramic during high electric-field poling, and such a state can be maintained upon removal of electric field. In situ pair distribution function analysis demonstrates the occurrence of monoclinic distortion at local length $(<10\phantom{\rule{0.16em}{0ex}}\AA{})$, where the electric-field driven polarization rotation emerges, and promoting the alignment of polarization variations. Concurrently, large local piezoelectric strain $(1000\phantom{\rule{0.16em}{0ex}}\mathrm{pm}/\mathrm{V})$ and intrinsic lattice piezoelectric response $(1400\phantom{\rule{0.16em}{0ex}}\mathrm{pm}/\mathrm{V})$ during poling are found to be generated, while large remanent strains are also observed. These results offer fresh insight into the role of local structure in domain switching behavior and have potential for the theoretical investigation of domain alignment in ferroelectrics.

Clusters in colloidal dispersions with a short-range depletion attraction: Thermodynamic identification and morphology

HypothesisParticle aggregation is ubiquitous for many colloidal systems, and drives the phase separation or the formation of materials with a highly heterogeneous large-scale structure, such as gels, porous media and attractive glasses. While the macroscopic properties of such materials strongly depend on the shape and size of these particle aggregates, the morphology and underlining aggregation physical mechanisms are far from being fully understood. Recently, it has been proposed that for reversible colloidal aggregation, the cluster morphology in the case of colloids interacting with short-range attractive forces is determined by a single variable, namely, the reduced second virial coefficient, B2∗. ExperimentsWe examined this proposal by performing confocal microscopy experiments and computer simulations on a large collection of short-ranged attractive colloidal systems with different values of the attraction strength and range. FindingsWe show that in all cases a connection between the colloidal cluster morphology and B2∗ can be established both in experiments and simulations. This physical scenario holds at all investigated thermodynamic conditions, namely, in the fluid state, in the metastable region and in non-equilibrium conditions. Our findings support the connection between reversible colloidal aggregation and the so-called extended law of corresponding states.

Modelling Three-Dimensional Microstructure Evolution Influenced by Concurrent Structural Mechanical Mechanisms

The interdependence between structural mechanics and microstructure solidification is an inherently three-dimensional phenomenon, where the complex physical processes and mechanical interactions can lead to dendrites growing at orientations influenced by twisting and out of plane bending. These effects can have a significant impact on the formation of defects and the overall macroscopic material properties of the structure. However, all attempts to numerically model this process so far have been limited to two-dimensional representations of the problem, which necessitates ignoring any potential behaviour that may arise from these more complex deformation events. For this reason, the two-dimensional numerical methods presented in previous papers, which couple a Finite Volume Structural Mechanics Solver to a Cellular Automata solidification solver, have been expanded so that problems may now be simulated in three dimensions. Results are presented which do not aim to predict any specific mechanism but rather highlight the new capabilities of this improved three-dimensional modelling framework.

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).

Elastodynamics Field of Non-Uniformly Moving Dislocation: From 3D to 2D

Molecular dynamics (MD) and experiments indicate that the high-speed dislocations dominate the plasticity properties of crystal materials under high strain rate. New physical features arise accompanied with the increase in dislocation speed, such as the “Lorentz contraction” effect of moving screw dislocation, anomalous nucleation, and annihilation in dislocation interaction. The static description of the dislocation is no longer applicable. The elastodynamics fields of non-uniformly moving dislocation are significantly temporal and spatially coupled. The corresponding mathematical formulas of the stress fields of three-dimensional (3D) and two-dimensional (2D) dislocations look quite different. To clarify these differences, we disclose the physical origin of their connections, which is inherently associated with different temporal and spatial decoupling strategies through the 2D and 3D elastodynamics Green tensor. In this work, the fundamental relationship between 2D and 3D dislocation elastodynamics is established, which has enlightening significance for establishing general high-speed dislocation theory, developing a numerical calculation method based on dislocation elastodynamics, and revealing more influences of dislocation on the macroscopic properties of materials.

Modeling of Polycrystalline Material Microstructure with 3D Grain Boundary Based on Laguerre-Voronoi Tessellation.

Voronoi tessellations are shown to be statistically representative of polycrystalline microstructures, which have been widely accepted for the modeling of microstructures of metallurgic and ceramic materials. In this paper, a new implementation of the Voronoi diagram in Laguerre geometry is presented for the generation of numerical models of polycrystalline microstructures, where the size and shape of the grains can be controlled, and the 3D grain boundaries can be modeled with a specified thickness. The distribution of grain sizes in the models is fitted to a lognormal distribution, compared with the normal distribution in the Voronoi tessellation methods. Finally, statistical analyses of grain face and grain size distribution are performed with the models, and the macroscopic elastic properties of polycrystalline ceramic materials are simulated to verify the capability of the presented method.

Complex magnetic structure and spin waves of the noncollinear antiferromagnet Mn5Si3

The investigations of the interconnection between micro- and macroscopic properties of materials hosting noncollinear antiferromagnetic ground states are challenging. These forefront studies are crucial for unraveling the underlying mechanisms at play, which may prove beneficial in designing cutting edge multifunctional materials for future applications. In this context, Mn5Si3 has regained scientific interest since it displays an unusual and complex ground state, which is considered to be the origin of the anomalous transport and thermodynamic properties that it exhibits. Here, we report the magnetic exchange couplings of the noncollinear antiferromagnetic phase of Mn5Si3 using inelastic neutron scattering measurements and density functional theory calculations. We determine the ground-state spin configuration and compute its magnon dispersion relations which are in good agreement with the ones obtained experimentally. Furthermore, we investigate the evolution of the spin texture under the application of an external magnetic field to demonstrate theoretically the multiple field-induced phase transitions that Mn5Si3 undergoes. Finally, we model the stability of some of the material's magnetic moments under a magnetic field and we find that very susceptible magnetic moments in a frustrated arrangement can be tuned by the field.

Experimental Study on the Properties of Phosphate-Based Materials for Rapid Repair of Concrete Cracks

This article studies rapid repair materials by mainly carrying out macro- and micro-performance impact tests. The static volumetric method was used to conduct pore volume-aperture analysis and prove the impact of the durability and repair performance of materials. The results show that 1) material impermeability can be effectively improved by increasing the ratio of active ingredients A:B and reducing the water-to-binder ratio. Adding an appropriate amount of fine aggregate can enable one to adjust the microstructure of the repair material, improve the compactness of the material, and effectively improve the impermeability. 2) An increase in the proportion of active ingredient A, water-binder ratio, sand-cement ratio and fly ash content will reduce the self-shrinkage of the specimen; with increasing NS and silica fume content, shrinkage increases. 3) Through analysis of pore size and pore volume, the total pore volume of the repair material is found to be reduced by 16.0% compared with cement mortar. Within a pore diameter range of 2.00–10.00 nm, the volume of the repair material increases by 78.9% compared to that for cement mortar. The total volume of the mesopores (2–50 nm) in the repair material accounts for 87.7% of the total volume, and the total volume of the mesopores in the cement mortar accounts for 81.23% of the total volume, which further illustrates the excellent macroscopic properties of the repair material.

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.

Photoresponsive Covalent Organic Frameworks with Diarylethene Switch for Tunable Singlet Oxygen Generation

Incorporation of molecular switches with light, heat, and electricity responsibility into artificial solids has been developed as a successful strategy to construct stimuli-responsive functional materials. However, precise manipulation of their molecular geometries and electronic structures to control the properties of macroscopic materials still remains a fundamental challenge. Herein, a photoresponsive covalent organic framework (o-COF) with the square lattice was fabricated from the dynamic covalent chemistry reaction of ring-open dithienylethene–dialdehyde with 5,10,15,20-tetrakis(4-aminophenyl)porphyrin (H2TAPP). UV irradiation of the dithienylethene-based units in o-COF afforded its reversible photoisomer (c-COF) in the ring-closed form. In addition to a range of diffraction, microscopic, and gas physical sorption characterizations, spectroscopic investigations with the help of theoretical simulations revealed different photocatalytic activities toward the evolution of singlet oxygen and corresponding photocatalytic oxidation of amines due to the different energy transfer pathways from the porphyrin unit to BBTP photoisomers in these two COFs. Most interestingly, such different photocatalytic behaviors for two COFs could be easily tuned in a reversible manner by adjusting the ring-closed/open form of dithienylethene units by means of UV and visible light.

Homogenisation of micromechanical modelling results for the evaluation of macroscopic material properties of brittle ceramics

This paper presents an approach to evaluate the macroscopic properties of ceramic materials based on the homogenisation of the results of micromechanical simulations performed on Representative Volume Elements (RVEs) of polycrystalline microstructures. The RVEs are defined using a bespoke algorithm to generate numerical model geometries statistically representative of the microstructure of polycrystalline ceramics. The material properties of single crystals and grain boundaries, obtained from direct experimental measurements at the relevant scales, are used for the generation of RVEs, which are then subjected to unit load cases. The results of the numerical simulations, performed using the explicit Finite Element Method (FEM), are used to calculate the macroscopic material parameters governing elastic deformation, and brittle failure due to initiation and propagation of cracks at the grain scale. The automated approach adopted to generate and analyse the response of RVEs under a specified set of loading conditions permits a statistically relevant number of simulations to be performed on different combinations of microstructural morphologies, distributions of crystallographic orientations, and defects, thus demonstrating a homogenisation and upscaling methodology that captures several important aspects of the stochastic variability typically exhibited by ceramic materials. The numerical simulations of elastic deformation and brittle failure of polycrystalline alumina (Al2O3) are compared against both experimental measurements and analytical calculations, showing good agreement for both elastic deformation - expressed in terms of homogenised elastic moduli - and failure strength - observed both as changes in the crack pattern at the microscale and when measured as the value of the stress at the onset of failure.

Investigation on fretting fatigue crack initiation in heterogenous materials using a hybrid of multiscale homogenization and direct numerical simulation

Fretting fatigue commonly appears at mechanically fastened joints, and it will dramatically decrease the fatigue life of a structure. Thus, the improvement of the prediction accuracy of fretting fatigue behavior is necessary. Furthermore, defects, e.g. particles and micro-voids, always affect the macroscopic material properties and the fatigue life. In this paper, the authors consider the heterogeneity of material in fretting fatigue numerical simulations, using a combination between Multiscale Homogenization and Direct Numerical Simulation (MH-DNS). The Damage Parameter (DP) is calculated using critical plane method and averaging method in order to get a good prediction of fretting fatigue life. Moreover, the maximum value of DP may be changed from the contact surface to the edge of the micro-void through this study using three different models. The three models are: 1) homogeneous model, 2) heterogeneous model using multi-scale homogenization, and 3) heterogeneous model using a hybrid MH-DNS. The MH-DNS model shows the best-predicted results among all other models using CP method and extend averaging method.

Comparing Commercial Metal-Coated AFM Tips and Home-Made Bulk Gold Tips for Tip-Enhanced Raman Spectroscopy of Polymer Functionalized Multiwalled Carbon Nanotubes.

Tip-enhanced Raman spectroscopy (TERS) combines the high specificity and sensitivity of plasmon-enhanced Raman spectroscopy with the high spatial resolution of scanning probe microscopy. TERS has gained a lot of attention from many nanoscience fields, since this technique can provide chemical and structural information of surfaces and interfaces with nanometric spatial resolution. Multiwalled carbon nanotubes (MWCNTs) are very versatile nanostructures that can be dispersed in organic solvents or polymeric matrices, giving rise to new nanocomposite materials, showing improved mechanical, electrical and thermal properties. Moreover, MWCNTs can be easily functionalized with polymers in order to be employed as specific chemical sensors. In this context, TERS is strategic, since it can provide useful information on the cooperation of the two components at the nanoscale for the optimization of the macroscopic properties of the hybrid material. Nevertheless, efficient TERS characterization relies on the geometrical features and material composition of the plasmonic tip used. In this work, after comparing the TERS performance of commercial Ag coated nanotips and home-made bulk Au tips on bare MWCNTs, we show how TERS can be exploited for characterizing MWCNTs mixed with conjugated fluorene copolymers, thus contributing to the understanding of the polymer/CNT interaction process at the local scale.

Fabrication of Functional Polycatechol Nanoparticles.

While low-dimensional (1D and 2D) polycatechol materials have been widely described for a range of biomedical and surface engineering applications, very few examples have been explored that focus on the construction of functional polycatechol nanoparticles. Herein, we report the facile fabrication of a series of polycatechol nanoparticles via a general and robust strategy based on the one-step oxidation reaction. IO3--induced catechol redox chemistry could facilitate the precise size control of the resulting nanoparticles and also allow the successful transfer and amplification of microscopic monomer function into macroscopic polycatechol material properties. The ease, facileness, and controllability of such a one-step fabrication process could highly promote the development of polycatechol nanomaterials for various applications.