Mixture Design and Mechanical Properties of Recycled Mortar and Fully Recycled Aggregate Concrete Incorporated with Fly Ash

Recycled aggregate concrete (RAC) is a sort of green, low carbon, environmental protection building material, its application is of great significance to the low carbonization of the construction industry. The performance and strength of RAC are much lower than natural aggregate concrete (NAC), which are the key factors restricting its application. Class F fly ash is a cementitious material that is considered environmentally hazardous. In this paper, appropriate water-binder (w/b) ratios were found through a mortar expansion test at first. The compressive strength of recycled mortar incorporated with class F fly ash was further studied. On this basis, the mechanical properties of nine groups of fully recycled aggregate concrete (FRAC) with a w/b ratio of 0.3, 0.35, and 0.4, and fly ash replacement ratios of 0, 20%, and 40%, were studied. The influence of the w/b ratio and fly ash replacement ratio on mechanical properties was analyzed and compared with previous research results. In addition, the conversion formulas between the splitting tensile strength, flexural strength, and compressive strength of FRAC were fitted and established. The research results have a certain guiding significance for the mixture design of FRAC and further application of class F fly ash.     

Predictions on Structural and Electronic Properties to Synthesize Bismuth-Carbon Compounds in Different Periodicities

This work was carried out to explore the compounds of bismuth with carbon using density functional theory (DFT)-based computations. The structures of the compounds BiC, BiC₂, BiC₃, Bi₂C₃, BiC₅, and Bi₂C₅ were predicted at a generalized gradient approximation (GGA-PBE) level of theory. The calculations were carried out on the structures in unit cell and supercell geometries in slab and bulk periodicities. The structural and electronic properties of the mentioned compounds were investigated in detail. The calculations of the structures revealed lattice constants of the compounds for cubic unit cell as 212.2 pm for BiC, 176.9 pm for BiC₂, 240.5 pm for BiC₃, 232.4 pm for Bi₂C₃, and 354.5 pm for Bi₂C₅. The compounds BiC, BiC₂, BiC₃, BiC₅, and Bi₂C₅ were found to be metallic, whereas Bi₂C₃ exhibited semiconducting character with a band gap of 0.305 eV. This work provides an initial framework for preparing new 2D materials from Bi_xC_y.     

Unveiling the Effect of CaF2 on the Microstructure and Transport Properties of Phosphosilicate Systems

As an effective flux, CaF₂ is beneficial in improving the fluidity of slag in the steel-making process, which is crucial for dephosphorization. To reveal the existence form and functional mechanism of CaF₂ in phosphosilicate systems, the microstructures and transport properties of CaO-SiO₂-CaF₂-P₂O₅ quaternary slag systems are investigated by molecular dynamics simulations (MD) combined with experiments. The results demonstrate that the Si-O coordination number does not vary significantly with the increasing CaF₂ content, but the P-O coordination number dramatically decreases. CaF₂ has a minor effect on the single [SiO₄] but makes the structure of the silicate system simple. On the contrary, F⁻ ions could reduce the stability of P-O bonds and promoted the transformation of [PO₄] to [PO₃F], which is beneficial for making the P element-enriched phosphate network structure more aggregated. However, the introduction of CaF₂ does not alter the tetrahedral character of the original fundamental structural unit. In addition, the results of the investigation of the transport properties show that the self-diffusion coefficients of each ion are positively correlated with CaF₂ content and arranged in the order of F⁻ > Ca²⁺ > O²⁻ ≈ P⁵⁺ > Si⁴⁺. Due to CaF₂ reducing the degree of polymerization of the whole melts, the viscosity decreases from 0.39 to 0.13 Pa·s as the CaF₂ content increases from 0% to 20%. Moreover, the viscosity of the melt shows an excellent linear dependence on the structural parameters.     

Interlayer and Intralayer Excitons in AlN/WS2 Heterostructure

The study of intra and interlayer excitons in 2D semiconducting vdW heterostructures is a very hot topic not only from a fundamental but also an applicative point of view. Due to their strong light–matter interaction, Transition Metal Dichalcogenides (TMD) and group-III nitrides are particularly attractive in the field of opto-electronic applications such as photo-catalytic and photo-voltaic ultra-thin and flexible devices. Using first-principles ground and excited-state simulations, we investigate here the electronic and excitonic properties of a representative nitride/TMD heterobilayer, the AlN/WS2. We demonstrate that the band alignment is of type I, and low energy intralayer excitons are similar to those of a pristine WS2 monolayer. Further, we disentangle the role of strain and AlN dielectric screening on the electronic and optical gaps. These results, although they do not favor the possible use of AlN/WS2 in photo-catalysis, as envisaged in the previous literature, can boost the recently started experimental studies of 2D hexagonal aluminum nitride as a good low screening substrate for TMD-based electronic and opto-electronic devices. Importantly, our work shows how the inclusion of both spin-orbit and many-body interactions is compulsory for the correct prediction of the electronic and optical properties of TMD/nitride heterobilayers.     

A Review of the Influence of Copper Slag on the Properties of Cement-Based Materials

Global copper slag (CS) emissions reached 57.2 million tons in 2021. Despite the increasing reuse of CS, the treatment of CS is still dominated by landfill so far, which not only occupies land resources but also causes damage to the environment. The application of CS to cement-based materials (CBMs) is one of the main approaches to its comprehensive utilization and has important economic and social implications. This article reviews the physicochemical properties, activity excitation, and heavy metal leaching properties of CS and summarizes the effect of CS on the working properties, mechanical properties, and durability of CBMs. At the end of the article, the existing problems in the research are analyzed, and the development trend is proposed, which provides technical guidance and reference for further research and application of CS in CBMs in the future.     

Polycrystalline PbTe:In Films on Amorphous Substrate: Structure and Physical Properties

Polycrystalline PbTe:In films on a polyimide substrate were obtained and investigated. Their structural and transport properties in a wide range of temperatures (10–300 K) were studied. The unique feature of In impurity in PbTe is the stabilization of the Fermi level (pinning effect) that allowed for the preparation polycrystalline films with the same carrier concentration. We found that heat treatment in an argon atmosphere does not change the average grain size and carrier concentration for as-grown films but greatly increases the Hall mobility and the electron mean free path. By comparing the mobility in the bulk and in the film after heat treatment, we extracted the value of the mobility that arises due to scattering at the grain boundary barriers. The ultimate goal of the present study is the development of these films in designing portable uncooled photodetectors for the mid-IR range.     

Evaluation of Thermophysical and Mechanical Properties of Sandstone Due to High-Temperature

In this study, thermophysical and mechanical tests were conducted on sandstone samples from room temperature to 1000 °C. Based on the test results, the thermophysical properties (such as specific heat capacity, thermal conductivity, and thermal expansion coefficient) of sandstone after high-temperature treatment and the variations of mechanical properties (including peak strength, peak strain, elastic modulus, and whole stress-strain curve) with temperature were analyzed. Indeed, the deterioration law of sandstone after high-temperature treatment was also explored with the aid of a scanning electron microscope (SEM). The results show that with the increase in temperature, the specific heat capacity and thermal expansion coefficient of sandstone samples after high-temperature treatment increase first and then decrease, while the thermal conductivity gradually decreases. The range from room temperature to 1000 °C witnesses the following changes: As temperature rises, the peak strength of sandstone rises initially and falls subsequently; the elastic modulus drops; the peak strain increases at an accelerated rate. Temperature change has a significant effect on the deterioration rules of sandstone, and the increase in temperature contributes to the transition in the failure mode of sandstone from brittle failure to ductile failure. The experimental study on the thermophysical and mechanical properties of sandstone under the action of high temperature and overburden pressure has a guiding significance for the site selection and safety evaluation of UCG projects.     

Geotechnical and Shear Behavior of Novel Lunar Regolith Simulants TUBS-M,TUBS-T,and TUBS-I

The return to the Moon is an important short-term goal of NASA and other international space agencies. To minimize mission risks, technologies, such as rovers or regolith processing systems, must be developed and tested on Earth using lunar regolith simulants that closely resemble the properties of real lunar soil. So far, no singular lunar simulant can cover the multitude of use cases that lunar regolith involves, and most available materials are poorly characterized. To overcome this major gap, a unique modular system for flexible adaptable novel lunar regolith simulants was developed and chemically characterized in earlier works. To supplement this, the present study provides comprehensive investigations regarding geotechnical properties of the three base regolith simulant systems: TUBS-M, TUBS-T, and TUBS-I. To evaluate the engineering and flow properties of these heterogeneous materials under various conditions, shear tests, particle size analyses, scanning electron microscope observations, and density investigations were conducted. It was shown that small grains <25 µm (lunar dust) are highly compressive and cohesive even at low external stress. They are particularly important as a large amount of fine dust is present in lunar regolith and simulants (x₅₀ = 76.7 to 96.0 µm). Further, ring shear and densification tests revealed correlations with damage mechanisms caused by local stress peaks for grains in the mm range. In addition, an explanation for the occurrence of considerable differences in the literature-based data for particle sizes was established by comparing various measurement procedures. The present study shows detailed geotechnical investigations of novel lunar regolith simulants, which can be used for the development of equipment for future lunar exploration missions and in situ resource utilization under realistic conditions. The results also provide evidence about possible correlations and causes of known soil-induced mission risks that so far have mostly been described phenomenologically.     

Physicochemical Properties of Water-Based Copolymer and Zeolite Composite Sustained-Release Membrane Materials

A nitrogen fertilizer slow-release membrane was proposed using polyvinyl alcohol (PVA), polyvinylpyrrolidone (PVP), epoxy resin, and zeolite as raw materials. The effects of the water-based copolymer (PVA:PVP) solution ratio A (A₁–A₄) and zeolite amount B (B₁–B₄) on the water absorption rate (XS), water permeability (TS), fertilizer permeability (TF), tensile strength (KL), elongation at break (DSL), and viscosity (ND) of the membrane were explored using the swelling method, a self-made device, and a universal testing machine. The optimal combination of the water-based copolymer and zeolite amount was determined by the coefficient-of-variation method. The results show that the effects of the decrease in A on KL and the increase in B on KL and DSL are promoted first and then inhibited. DSL and ND showed a negative response to the A decrease, whereas XS, TS, and TF showed a positive response. The effect of increasing B on ND, TS, and TF showed a zigzag fluctuation. In the condition of A₁–A₃, XS showed a negative response to the B increase, whereas in the condition of A₄, XS was promoted first and then inhibited. Adding PVP and zeolite caused the hydroxyl stretching vibration peak of PVA at 3300 cm⁻¹ to widen; the former caused the vibration peak to move to low frequencies, and the latter caused it to move to high frequencies. The XRD pattern shows that the highest peak of zeolite is located at 2θ = 7.18° and the crystallization peak of the composite membrane increases with the rise in the proportion of zeolite. Adding PVP made the surface of the membrane smooth and flat, and adding a small amount of zeolite improved the mechanical properties of the membrane and exhibited good compatibility with water-based copolymers. In the evaluation model of the physicochemical properties of sustained-release membrane materials, the weight of all indicators was in the following order: TF > ND > TS > KL > XL > DSL. The optimal membrane material for comprehensive performance was determined to be A₂B₃.     

Mechanical Properties Evaluation of Polymer-Binding C-S-H Structure from Nanoscale to Macroscale: Hydroxyl-Terminated Polydimethylsiloxane (PDMS) Modified C-S-H

Exploring and modifying the C-S-H structure at a micro–nano level is an effective solution to improve the performance of Portland cement. Compared with organics inserting C-S-H, the research on the performance of a polymer-binding C-S-H structure from nanoscale to macroscale is limited. In this work, the mechanical properties of a modified C-S-H, using hydroxyl-terminated polydimethylsiloxane (PDMS) as the binders, are evaluated. The PDMS-modified C-S-H structures are introduced into macro-defect-free cement to obtain stress–strain curves changes at a macro scale. The AFM–FM was adopted to measure the morphology and elastic modulus of C-S-H at a nano scale. The molecular dynamics (MD) simulation was performed to assess the toughness, tensile properties, and failure mechanism. The results show that the PDMS-modified C-S-H powders change the break process and enhance ductility of MDF cement. The elastic modulus of PDMS-modified C-S-H is lower than pure C-S-H. When PDMS molecules are located between the stacking crystal units, it can enhance the toughness of C-S-H aggregates. The PDMS-modified C-S-H stacking structure has better plasticity, and its tensile strains are higher than the pure C-S-H. PDMS molecules hinder the initial crack expansion, leading to the branching of the initial crack. In addition, the measurement of AFM–FM can identify and obtain the mechanical properties of basic units of C-S-H. This paper enhances the understanding of cement strength sources and modification methods.