Solids, Volume 3, Issue 3 (September 2022) – 9 articles

Arsenic (As) removal from portable water bodies using the nanotechnology-based adsorption technique offers a unique method to lower the As contamination below the World Health Organization’s (WHO) maximum contaminant level (MCL). This work promotes a systematic methodological-based adsorption study by optimizing the different parameters that affect As removal using TiO₂/γ-Fe₂O₃ nanocomposites (T/M NCs) prepared with the green, facile, and cost-effective ball milling method. The studies using X-ray Diffraction (XRD) illustrate the structural modifications with variations in the constituting T/M ratios, with high-resolution transmission electron microscopy (HRTEM) being used for the NC morphological studies. The optical characterization studies showed that bandgap tuning between 2–2.8 eV reduced the maghemite (γ-Fe₂O₃) content in the NCs and the elemental analysis confirmed the desired stoichiometry of the NCs. The magnetic measurements showed that the magnetic interaction among the particles tends towards exchange coupling behavior as the weight ratio of γ-Fe₂O₃ content decreases in the NCs. The adsorption studies using the most efficient NCs with an optimized condition (NC dose (8 g/L), contact time (15 min), As concentration (2 ppm), and pH (4)) resulted in a more than 99% removal of As species, suggesting the excellent behavior of the synthesized nanomaterial for water treatment and making it more economical than other competing adsorption techniques and materials. Full article

This publication summarises the current state of knowledge and technology on the possibilities and limitations of using mineral and synthetic fillers in the field of 3D printing of thermoplastics. FDM technology can be perceived as a miniaturised variation of conventional extrusion processing (a microextrusion process). However, scaling the process down has an undoubtful drawback of significantly reducing the extrudate diameter (often by a factor of ≈20–30). Therefore, the results produced under conventional extrusion processing cannot be simply translated to processes run with the application of FDM technology. With that in mind, discussing the latest findings in composite materials preparation and application in FDM 3D printing was necessary. Full article

Transition metal dichalcogenides of type VX₂ (X = S, Se, Te) have recently attracted great interest as it has been predicted that they host ferromagnetism at room temperature. Whether ferromagnetism is indeed present is an open experimental question. An in-depth study of the structural and magnetoelectric properties of VTe₂ thin films is presented in this work. The VTe₂ thin films were grown through molecular beam epitaxy, which allows for precise control of thicknesses, ranging from several nanometers down to monolayers. The low-temperature magnetoelectric transport studies reveal no sign of intrinsic ferromagnetism. However, a transition from positive to negative magnetoresistance is present upon decreasing film thickness. Full article

Here, a detailed mechanical characterization of five important anhydrous microporous aluminophosphate materials (VPI-5, ALPO-8, ALPO-5, ALPO-18, and ALPO-31) is performed using first principles methods based on periodic density functional theory. These materials are characterized by the presence of large empty structural channels expanding along several different crystallographic directions. The elasticity tensors, mechanical properties, and compressibility functions of these materials are determined and analyzed. All of these materials have a common elastic behavior and share many mechanical properties. They are largely incompressible at zero pressure, the compressibilities along the three crystallographic directions being frequently smaller than 5 ${\mathrm{TPa}}^{-1}$. Notably, the compressibilities of ALPO-5 and ALPO-31 along the three principal directions are smaller than this threshold. Likewise, the compressibilities of ALPO-18 along two directions are smaller than 5 ${\mathrm{TPa}}^{-1}$. All of the considered materials are shear resistant and ductile due to the large bulk to shear moduli ratio. Furthermore, all of these materials have very small mechanical anisotropies. ALPO-18 exhibits the negative linear compressibility (NLC) phenomenon for external pressures in the range P = 1.21 to P = 2.70 GPa. The minimum value of the compressibility along the [1 0 0] direction, $k_a=-$30.9 ${\mathrm{TPa}}^{-1}$, is encountered for P = 2.04 GPa. The NLC effect in this material can be rationalized using the empty channel structural mechanism. The effect of water molecule adsorption in the channels of ALPO-18 is assessed by studying the hydrated ALPO-18 material (ALPO-18W). ALPO-18W is much more compressible and less ductile than ALPO-18 and does not present NLC effects. Finally, the effect of aging and pressure polymorphism in the mechanical properties of VPI-5 and ALPO-5 is studied. As hydration, aging leads to significant variations in the elastic properties of VPI-5 and increases substantially its compressibility. For ALPO-5, pressure polymorphism has a small impact in its elasticity at zero pressure but a large influence at high pressure. Full article

By making use of an isothermal crystallization kinetics formulation in which growth and nucleation rates are functions of the degree of crystallization, we describe a process consisting of birth and growth of spherical crystalline domains. It is found that beyond the early stages of crystallization, the role played by the nucleation rate becomes quite insignificant as compared to the role of the crystalline domain growth rate. This is in contrast to what we would expect from the simplified Avrami exponential equation, where both rates play a symmetrical role. We argue that the asymmetric roles of the growth and nucleation rates greatly contribute to the wide applicability of Avrami-type expressions. A geometric explanation of the diminishing role of nucleation in the later stages of transformation is given. Future theoretical developments might benefit from the arguments and results presented. Full article

Advances in machine systems and scanning technologies have increased the use of selective laser melted materials in industrial applications, resulting in almost full-density products. Inconsistent mechanical behavior of components under cyclic stress is caused by microstructure and porosity created during powder melting. The extended finite element method, XFEM, was used to imitate crack propagation utilizing an arbitrary fracture route to study fatigue crack growth in additively produced fatigue specimens. The influence of loading level and testing frequency on fatigue life was studied using fracture energy rate curves. Micro-computed tomography (µ-CT) scans offer 2D images in angular increments. There are several ways to reduce the number of faces and vertices. Opensource software was used to isolate the cylindrical shell from interior pores and create finite element models from µ-CT projections. All simulations were on supposedly cylindrical fatigue specimens made by selective laser melting (SLM) based on previous experimental results of the authors. Crack propagation rate curves were utilized to evaluate the effects of loading level and testing frequency. At larger loads, the fracture area increases abruptly at 3E3 cycles, then stabilizes at 4E4 cycles in Al alloys in comparison to Ti-6Al-4V alloys. Crack propagation rate curves may be used to determine Paris constants based on the applied stresses. Full article

Sinter composition optimization is an important process of iron and steel companies. To increase companies’ profits, they often rely on innovative technology or the workers’ operating experience to improve final productions. However, the former is costly because of patents, and the latter is error-prone. In addition, traditional linear programming optimization methods of sinter compositions are inefficient in the face of large-scale problems and complex nonlinear problems. In this paper, we are the first to propose a regressive convolutional neural network (RCNN) approach for the sinter composition optimization (SCORN). Our SCORN is a single input and multiple outputs regression model. Sinter plant production is used as the input of the SCORN model, and the outputs are the optimized sintering compositions. The SCORN model can predict the optimal sintering compositions to reduce the input of raw materials consumption to save costs and increase profits. By constructing a new neural network structure, the RCNN model is trained to increase its feature extraction capability for sintering production. The SCORN model has a better performance compared with several regressive approaches. The practical application of this predictive model can not only formulate corresponding production plans without feeding materials but also give better input parameters of sintered raw materials during the sintering process. Full article

The topic of present research is the experimental investigation of pull-out resistance of B500B-type ribbed reinforcing steel bars embedded in lightweight aggregate concrete (LWAC) under unidirectional cyclic loading. Only a limited amount of standardized data on bond strengths are available in the case of cyclic loading, especially for lightweight aggregate concrete. This paper deals with the experimental comparison of bond behavior of steel bars embedded in LWAC with expanded clay (Liapor) aggregate and normal weight aggregate concrete (NWAC) specimens by means of standard (non-cyclic) and cyclic pull-out tests. The LWAC and NWAC specimen’s mixes were identical except for the type of the coarse aggregate. It was found that the bond strength determined by non-cyclic pull-out tests showed a higher standard deviation compared to that for compression and splitting tensile strength tests. The shape of the characteristic bond strength–the slip curve was similar in the case of LWAC and NWAC and the failure mode was the same for both types of aggregate. Moreover, the maximum value of bond stress was identical for LWAC and NWAC and also no significant difference was found in the low cycle number fatigue. Both mixes were able to resist the maximum pull-out force multiple times in the case of cyclic loading because there was no time for the development of cracks. Full article

The reaction of 2,2-dimethylpropane-1,3-diamine (dmpn) with an excess of concentrated aqueous hydrochloric acid yielded colorless crystals of 2,2-dimethylpropane-1,3-diaminium dichloride, dmpnH₂Cl₂ (1), in addition to small amounts of a monohydrate, dmpnH₂Cl₂∙H₂O (2). The compounds were studied via X-ray crystallography, IR and Raman spectroscopy, NMR spectroscopy and thermal analysis. Single crystal structure determinations on 1 and 2 showed that dmpnH₂Cl₂ exists in two polymorphic forms, 1a and 1b. The crystal structure of 1b showed to be much more complex than that of 1a. In the crystal structure of 2, four (dmpnH₂)²⁺ cations and eight chloride anions form a cage constructed by N−H∙∙∙Cl hydrogen bonds. In the center of these cages water dimers with a O∙∙∙O distance of 2.776 (8) Å are present. In addition, a conformational analysis of the 2,2-dimethylpropane-1,3-diaminium cation was performed. The results are compared to the experimental findings of 1a, 1b, 2 and other related hydrogen bonded salt structures from the Cambridge crystallographic structure database (CCDC). Last, a topological classification of the solid-state structures of 1a and 2 was performed and the simplified topological networks are discussed. Full article