Effects of interphase on tensile strength of polymer/CNT nanocomposites by Kelly–Tyson theory

The micromechanics models for composites usually underpredict the tensile strength of polymer nanocomposites. This paper establishes a simple model based on Kelly–Tyson theory for tensile strength of polymer/CNT nanocomposites assuming the effect of interphase between polymer and CNT. In addition, Pukanszky model is joined with the suggested model to calculate the interfacial shear strength (τ), interphase strength (σ_i) and critical length of CNT (L_c).The proposed approach is applied to calculate τ, σ_i and L_c for various samples from recent literature. It is revealed that the experimental data are well fitted to calculations by new model which confirm the important effect of interphase on the properties of nanocomposites. Moreover, the derived equations demonstrate that dissimilar correlations are found between τ and B (from Pukanszky model) as well as L_c and B. It is shown that a large B value obtained by strong interfacial adhesion between polymer and CNT is adequate to reduce L_c in polymer/CNT nanocomposites.     

Study of planar structure applying reciprocity technique combined with MGEC and analysis of discontinuity

The 3D structure electromagnetic computation presents several difficulties related to the volume mesh. In fact, the entire volume space must be taken into account even the smallest details. In this article, we propose a formulation based on the reciprocity theorem combined with the generalized equivalent circuit method to model a planar 3D structure with both coaxial and planar excitation. The major advantage of this formulation is the fact to reduce the computational volume into 2D ones in the discontinuity plane. In addition, we focused on the calculation of the discontinuity between the excitation source and the planar structure to determine the exact behavior of the electric coaxial excitation model. The obtained current density, electric field distributions, and the input impedance are presented and discussed in the following sections. An approximately good agreement of input impedance with those obtained by the simulator and measurement is shown.     

Ultimate bearing capacity of strip footing resting on clay soil mixed with tire-derived aggregates

This study investigated the use of recycled tire-derived aggregate (TDA) mixed with kaolin as a method of increasing the ultimate bearing capacity ( UBC) of a strip footing. Thirteen 1g physical modeling tests were prepared in a rigid box of 0.6 m × 0.9 m in plan and 0.6 m in height. During sample preparation, 0%, 20%, 40%, or 60% (by weight) of powdery, shredded, small-sized granular (G 1–4 mm) or large-sized granular (G 5–8 mm) TDA was mixed with the kaolin. A strip footing was then placed on the stabilized kaolin and was caused to fail under stress-controlled conditions to determine the UBC. A rigorous 3D finite element analysis was developed in Optum G-3 to determine the UBC values based on the experimental test results. The experimental results showed that, except for the 20% powdery TDA, the TDA showed an increase in the UBC of the strip footing. When kaolin mixed with 20% G (5–8 mm), the UBC showed a threefold increase over that for the unreinforced case. The test with 20% G (1–4 mm) recorded the highest subgrade modulus. It was observed that the UBC calculated using finite element modeling overestimated the experimental UBC by an average of 9%.     

Study on the blackening phenomenon of leaded glass during microgroove molding using nickel phosphorous mold

Precision glass molding (PGM) is a recently developed method to fabricate glass microgroove components. Lead glass is commonly used as an optical material due to its high refractive index and low transition temperature. A nickel-phosphorous (Ni–P) plated mold is traditionally employed in the PGM process for microstructures optics. However, leaded glass is subject to color change and can blacken during the PGM process, reducing the light transmittance of microgrooves. In this paper, an equation for the redox reaction between Ni and Pb is proposed, which is based on the diffusion of inner Ni atoms to the surface of the mold and the standard electrode potential of the Pb ions in leaded glass. A viscoelastic constitutive model of the glass is established to simulate the compression stress distribution during molding. Finally, the effects of molding pressure, molding temperature, and mold material on glass blackening are studied. The results show that the blackening of leaded glass is caused by Pb enriching the surface. The rise in molding stress and temperature increases the deformation of Ni–P plating, which promotes the diffusion of Ni atoms. By adding a titanium incorporated diamond-like carbon (Ti-DLC) coating, the deformation of the Ni–P plating during molding is suppressed, and the diffusion of Ni atoms can be prevented. In this way, the blackening of leaded glass can be prevented.     

2-Phenyloxazole-4-carboxamide as a Scaffold for Selective Inhibition of Human Monoamine Oxidase B

A series of 2-phenyloxazoles bearing an amide group at position 4 were designed and synthesized for evaluation as potential inhibitors of human recombinant monoamine oxidases (hrMAOs). Results of kinetics experiments demonstrated that all compounds behave as competitive MAO inhibitors, with good selectivity toward the MAO-B isoform. The most potent and selective derivatives are characterized by inhibition constant (K_i) values in the sub-micromolar range and a good selectivity index (K_{i MAO-A}/K_{i MAO-B}>50). Some derivatives were also found to be able to inhibit MAO activity in nerve growth factor (NGF)-differentiated PC12 cells, taken as a model of neuronal cells. In particular, 2-(2-hydroxyphenyl)-N-phenyloxazole-4-carboxamide (compound 4 a ) may be a promising new scaffold, exerting the highest selectivity and inhibitory effect toward MAOs in NGF-differentiated PC12 cell lysates, without compromising cell viability. Molecular docking analysis allowed a rationalization of the experimentally observed binding affinity and selectivity.     

Coupling in situ experiments and modeling – Opportunities for data fusion,machine learning,and discovery of emergent behavior

This paper reviews recent studies, that not only includes both experiments and modeling components, but celebrates a close coupling between these techniques, in order to provide insights into the plasticity and failure of polycrystalline metals. Examples are provided of studies across multiple-scales, including, but not limited to, density functional theory combined with atom probe tomography, molecular dynamics combined with in situ transmission electron miscopy, discrete dislocation dynamics combined with nanopillars experiments, crystal plasticity combined with digital image correlation, and crystal plasticity combined with in situ high energy X-ray diffraction. The close synergy between in situ experiments and modeling provides new opportunities for model calibration, verification, and validation, by providing direct means of comparison, thus removing aspects of epistemic uncertainty in the approach. Further, data fusion between in situ experimental and model-based data, along with data driven approaches, provides a paradigm shift for determining the emergent behavior of deformation and failure, which is the foundation that underpins the mechanical behavior of polycrystalline materials.     

Three‐dimensional color prediction modeling of single‐ and double‐layered woven fabrics

In this research, the three‐dimensional structural and colorimetric modeling of three‐dimensional woven fabrics was conducted for accurate color predictions. One‐hundred forty single‐ and double‐layered woven samples in a wide range of colors were produced. With the consideration of their three‐dimensional structural parameters, three‐dimensional color prediction models, K/S‐, R‐, and L*a*b*‐based models, were developed through the optimization of previous two‐dimensional models which have been reported to be the three most accurate models for single‐layered woven structures. The accuracy of the new three‐dimensional models was evaluated by calculating the color differences ΔL*, ΔC*, Δh°, and ΔE_CMC(2:1) between the measured and the predicted colors of the samples, and then the error values were compared to those of the two‐dimensional models. As a result, there has been an overall improvement in color predictions of all models with a decrease in ΔE_CMC(2:1) from 10.30 to 5.25 units on average after the three‐dimensional modeling.     

Study of MW-scale biogas-fed SOFC-WGS-TSA-PEMFC hybrid power technology as distributed energy system: Thermodynamic,exergetic and thermo-economic evaluation

Advanced biogas power generation technology has been attracting attentions, which contributes to the waste disposal and the mitigation of greenhouse gas emissions. This work proposes and models a novel biogas-fed hybrid power generation system consisting of solid oxide fuel cell, water gas shift reaction, thermal swing adsorption and proton exchange membrane fuel cell (SOFC-WGS-TSA-PEMFC). The thermodynamic, exergetic, and thermo-economic analyses of this hybrid system for power generation were conducted to comprehensively evaluate its performance. It was found that the novel biogas-fed hybrid system has a gross energy conversion efficiency of 68.63% and exergy efficiency of 65.36%, indicating high efficiency for this kind of hybrid power technology. The market sensitivity analysis showed that the hybrid system also has a low sensitivity to market price fluctuation. Under the current subsidy level for the distributed biogas power plant, the levelized cost of energy can be lowered to 0.02942 $/kWh for a 1 MW scale system. Accordingly, the payback period and annual return on investment can reach 1.4 year and about 20%, respectively. These results reveal that the proposed hybrid system is promising and economically feasible as a distributed power plant, especially for the small power scale (no more than 2 MW).