First-Principles Calculations of the Mechanical Properties of Doped Cu3P Alloys.

In the quest to enhance the mechanical properties of CuP alloys, particularly focusing on the Cu3P phase, this study introduces a comprehensive investigation into the effects of various alloying elements on the alloy's performance. In this paper, the first principle of density universal function theory and the projection-enhanced wave method under VASP 5.4.4 software are used to recalculate the lattice constants, evaluate the lattice stability, and explore the mechanical properties of selected doped elements such as In, Si, V, Al, Bi, Nb, Sc, Ta, Ti, Y and Zr, including shear, stiffness, compression, and plasticity. The investigation reveals that strategic doping with In and Si significantly enhances shear resistance and stiffness, while V addition notably augments compressive resistance. Furthermore, incorporating Al, Bi, Nb, Sc, Ta, Ti, V, Y, and Zr has substantially improved plasticity, indicating a broad spectrum of mechanical enhancement through precise alloying. Crucially, the validation of our computational models is demonstrated through hardness experiments on Si and Sn-doped specimens, corroborating the theoretical predictions. Additionally, a meticulous analysis of the states' density further confirms our computational approach's accuracy and reliability. This study highlights the potential of targeted alloying to tailor the mechanical properties of Cu3P alloys and establishes a robust theoretical framework for predicting the effects of doping in metallic alloys. The findings presented herein offer valuable insights and a novel perspective on material design and optimization, marking a significant stride toward developing advanced materials with customized mechanical properties.

Preparation and Lubricating Properties of Polystyrene Composite Microspheres.

In order to improve the lubrication performance of polystyrene microspheres (PS) as solid lubricant in drilling fluids, elastic graphite-polystyrene composite microspheres (EGR/PS), montmorillonite-elastic graphite-polystyrene composite microspheres (OMMT/EGR/PS), and polytetrafluoroethylene-polystyrene composite microspheres (PTFE/PS) were prepared by suspension polymerization. OMMT/EGR/PS has a rough surface, while the surfaces of the other three composite microspheres are smooth. Among the four kinds of composite microspheres, the largest particle is OMMT/EGR/PS, and the average size is about 400 µm. The smallest particle is PTFE/PS, and the average size is about 49 µm. Compared with pure water, the friction coefficient of PS, EGR/PS, OMMT/EGR/PS and PTFE/PS reduced by 25%, 28%, 48%, and 62%, respectively. The wear tracks of EGR/PS, OMMT/EGR/PS and PTFE/PS are narrower and smoother than those of pure water. When the content of PTFE is 4.0 wt%, the friction coefficient and wear volume of PTFE/PS are 0.213 and 2.45 × 10-4 mm3-74% and 92.4% lower than that of pure water, respectively.

Enhancing Wettability of Cu3P/Cu Systems through Doping with Si, Sn, and Zr Elements: Insights from First Principles Analysis.

Explaining the wetting mechanism of Cu-P brazing materials and Cu remains challenging. This fundamental research aims to reveal the wettability mechanism of Si, Sn, and Zr doping on the interfacial bond strength of the Cu3P/Cu system through the first principles study. We carried out several sets of calculations to test the validity of the result; included in the work are those used to establish the interfacial structure and to analyze the effect of doping on the wettability. Specific analysis was carried out in terms of three aspects: the work of adhesion (Wad), the charge density difference, and the density of states (DOS). The calculated results show that doping with Si, Sn, and Zr elements can effectively improve the wettability within the CuP/Cu interface with very high accuracy, and is particularly effective when doped with Zr. These results provide an insightful theoretical guide for enhancing the CuP/Cu system's wettability by adding active elements.

Highly sensitive humidity-driven actuators based on metal-organic frameworks incorporating thermoplastic polyurethane with gradient polymer distribution.

Ambient humidity plays an important role in the fields of industrial and agricultural production, food and drug storage, climate monitoring, and maintenance of precision instruments. To sense and control humidity, humidity-responsive actuators that mimick humidity responsive behavior existing in nature, have attracted intense attention. The most common and important class of humidity actuators is active bilayer structures. However, such bilayer structures generally show weak interfacial adhesion, tending to delaminate during frequent bending and restoration cycles. In this work, to address this problem, a novel monolayer humidity-driven actuator with no adhesive issue is developed by integrating the swellable metal-organic frameworks (MIL-88A) into thermoplastic polyurethane films. The proposed actuators display excellent humidity response that under the conditions of relative humidity simulated with saturated salt solution, the MIL-88A/polyurethane composite films show good self-folding response and stability for recycling use. In addition, a deep insight into the self-folding of the composite films is also provided and a new response mechanism is proposed. In this case, the results show that both the preparation method and response properties of the humidity actuators are improved. Therefore, it suggests a new promising way to develop and design flexible humidity actuators.

A Study of Preparation and Characterization of Poly(vinyl alcohol) Coated Copper Nanoparticles in Aqueous Solution.

We have developed a new solution-phase chemical reduction method for the synthesis of poly(vinyl alcohol) coated copper nanoparticles in aqueous solution. Copper nitrate is used as the precursor, sodium hypophosphite as the reducing agent, and poly(vinyl alcohol) as the coating agent. The synthesis of copper nanoparticles could be completed within several hours and the copper nanoparticles in powder form could be stored within one week in ambient condition. In Ar atmosphere, the complete thermal decomposition temperature of coated layer was lower than 450 °C. The antioxidative properties of poly(vinyl alcohol) coated copper nanoparticles were evaluated compared to that of polyvinylpyrrolidone coated copper nanoparticles.