基于数值模拟的挤压参数对AZ91镁合金管转角焊合室分流挤压焊合压力的影响规律研究

提出了一种镁合金管材转角焊合室分流挤压新工艺，该工艺可在有效延长焊合室长度和焊合时间前提下保证舌针刚度，从而保证管材尺寸精度，并且可通过转角剪切变形机制增加预焊合金属变形量和动态再结晶程度，从而有利于提高管材性能和焊缝焊合性能。利用有限元法揭示了转角焊合室分流挤压成形过程中金属的流动特征，应变分布特征和焊合室内的静水压力分布特征。结果表明，整个挤压过程无金属折叠，从而保证管材的表面质量；流经转角后预焊合金属变形量明显增加，有利于提高管材质量和焊缝质量。最后，研究揭示了坯料初始温度，挤压速度和模具转角对焊合室内静水压力的影响规律。结果表明，随着挤压速度的增加和模具转角的增大，转角焊合室内静水压力增大；随着坯料预热温度的增加，转角焊合室内静水压力呈先增大后减小的趋势。     

Three distinct optical-switching states in phase-change materials containing impurities:From physical origin to material design

Ge2Sb2Tes is the most widely utilized chalcogenide phase-change material for non-volatile photonic applications,which undergoes amorphous-cubic and cubic-hexagonal phase transition under external excitations.However,the cubic-hexagonal optical contrast is negligible,only the amorphous-cubic phase transition of Ge2Sb2Te5 is available.This limits the optical switching states of traditional active dis-plays and absorbers to two.We find that increasing structural disorder difference of cubic-hexagonal can increase optical contrast close to the level of amorphous-cubic.Therefore,an amorphous-cubic-hexagonal phase transition with high optical contrast is realized.Using this phase transition,we have developed display and absorber with three distinct switching states,improving the switching perfor-mance by 50％.Through the combination of first-principle calculations and experiments,we reveal that the key to increasing structural disorder difference of amorphous,cubic and hexagonal phases is to intro-duce small interstitial impurities(like N)in Ge2Sb2Tes,rather than large substitutional impurities(like Ag)previously thought.This is explained by the formation energy and lattice distortion.Based on the impurity atomic radius,interstitial site radius and formation energy,C and B are also potential suit-able impurities.In addition,introducing interstitial impurities into phase-change materials with van der Waals gaps in stable phase such as GeSb4Te7,GeSb2Te4,Ge3Sb2Te6,Sb2Te3 will produce high optical con-trast amorphous-metastable-stable phase transition.This research not only reveals the important role of interstitial impurities in increasing the optical contrast between metastable-stable phases,but also proposes varieties of candidate matrices and impurities.This provides new phase-change materials and design methods for non-volatile optical devices with multi-switching states.     

High-Throughput Screening for Phase-Change Memory Materials

Phase change memory (PCM) is an emerging non-volatile data storage technology concerned by the semiconductor industry. To improve the performances, previous efforts have mainly focused on partially replacing or doping elements in the flagship Ge-Sb-Te (GST) alloy based on experimental “trial-and-error” methods. Here, the current largest scale PCM materials searching is reported, starting with 124 515 candidate materials, using a rational high-throughput screening strategy consisting of criteria related to PCM characteristics. In the results, there are 158 candidates screened for PCM materials, of which ≈68% are not employed. By further analyses, including cohesive energy, bond angle analyses, and Born effective charge, there are 52 materials with properties similar to the GST system, including Ge₂Bi₂Te₅, GeAs₄Te₇, GeAs₂Te₄, so on and other candidates that have not been reported, such as TlBiTe₂, TlSbTe₂, CdPb₃Se₄, etc. Compared with GST, materials with close cohesive energy include AgBiTe₂, TlSbTe₂, As₂Te₃, TlBiTe₂, etc., indicating possible low power consumption. Through further melt-quenching molecular dynamic calculation and structural/electronic analyses, Ge₂Bi₂Te₅, CdPb₃Se₄, MnBi₂Te₄, and TlBiTe₂ are found suitable for optical/electrical PCM applications, which further verifies the effectiveness of this strategy. The present study will accelerate the exploration and development of advanced PCM materials for current and future big-data applications.     

Solution-Synthesized Multifunctional Janus Nanotree Microswimmer

Synthetic active matters are perfect model systems for non-equilibrium thermodynamics and of great potential for novel biomedical and environmental applications. However, most applications are limited by the complicated and low-yield preparation, while a scalable synthesis for highly functional microswimmers is highly desired. In this paper, an all-solution synthesis method is developed where the gold-loaded titania-silica nanotree can be produced as a multi-functional self-propulsion microswimmer. By applying light, heat, and electric field, the Janus nanotree demonstrated multi-mode self-propulsion, including photochemical self-electrophoresis by UV and visible light radiation, thermophoresis by near-infrared light radiation, and induced-charge electrophoresis under AC electric field. Due to the scalable synthesis, the Janus nanotree is further demonstrated as a high-efficiency, low-cost, active adsorbent for water decontamination, where the toxic mercury ions can be reclaimed with enhanced efficiency.     

Configurational Isomers Induced Significant Difference in All-Polymer Solar Cells

The design of polymer acceptors plays an essential role in the performance of all-polymer solar cells. Recently, the strategy of polymerized small molecules has achieved great success, but most polymers are synthesized from the mixed monomers, which seriously affects batch-to-batch reproducibility. Here, a method to separate γ-Br-IC or δ-Br-IC in gram scale and apply the strategy of monomer configurational control in which two isomeric polymeric acceptors (PBTIC-γ-2F2T and PBTIC-δ-2F2T) are produced is reported. As a comparison, PBTIC-m-2F2T from the mixed monomers is also synthesized. The γ-position based polymer (PBTIC-γ-2F2T) shows good solubility and achieves the best power conversion efficiency of 14.34% with a high open-circuit voltage of 0.95 V when blended with PM6, which is among the highest values recorded to date, while the δ-position based isomer (PBTIC-δ-2F2T) is insoluble and cannot be processed after parallel polymerization. The mixed-isomers based polymer, PBTIC-m-2F2T, shows better processing capability but has a low efficiency of 3.26%. Further investigation shows that precise control of configuration helps to improve the regularity of the polymer chain and reduce the π–π stacking distance. These results demonstrate that the configurational control affords a promising strategy to achieve high-performance polymer acceptors.     

Eco-friendly and degradable red phosphorus nanoparticles for rapid microbial sterilization under visible light

Pathogens pose a serious challenge to environmental sanitation and a threat to public health.The frequent use of chemicals for sterilization in recent years has not only caused secondary damage to the environment but also increased pathogen resistance to drugs,which further threatens public health.To address this issue,the use of non-chemical antibacterial means has become a new trend for environmental disinfection.In this study,we developed red phosphorus nanoparticles(RPNPs),a safe and degradable photosensitive material with good photocatalytic and photothermal properties.The red phosphorus nanoparticles were prepared using a template method and ultrasonication.Under the irradiation of simulated sunlight for 20 min,the RPNPs exhibited an efficiency of 99.98%in killing Staphylococcus aureus due to their excellent photocatalytic and photothermal abilities.Transmission electron microscopy and ultraviolet–visible spectroscopy revealed that the RPNPs exhibited degradability within eight weeks.Both the RPNPs and their degradation products were nontoxic to fibroblast cells.Therefore,such RPNPs are expected to be used as a new type of low-cost,efficient,degradable,biocompatible,and eco-friendly photosensitive material for environmental disinfection.     

Toward High-Performance Dihydrophenazine-Based Conjugated Microporous Polymer Cathodes for Dual-Ion Batteries through Donor–Acceptor Structural Design

Recent studies have demonstrated that dihydrophenazine (Pz) with high redox-reversibility and high theoretical capacity is an attractive building block to construct p-type polymer cathodes for dual-ion batteries. However, most reported Pz-based polymer cathodes to date still suffer from low redox activity, slow kinetics, and short cycling life. Herein, a donor–acceptor (D–A) Pz-based conjugated microporous polymer (TzPz) cathode is constructed by integrating the electron-donating Pz unit and the electron-withdrawing 2,4,6-triphenyl-1,3,5-triazine (Tz) unit into a polymer chain. The D–A type structure enhances the polymer conjugation degree and decreases the band gap of TzPz, facilitating electron transportation along the polymer skeletons. Therefore the TzPz cathode for dual-ion battery shows a high reversible capacity of 192 mAh g⁻¹ at 0.2 A g⁻¹ with excellent rate performance (108 mAh g⁻¹ at 30 A g⁻¹), which is much higher than that of its counterpart polymer BzPz produced from 1,3,5-triphenylbenzene (Bz) and Pz (148 and 44 mAh g⁻¹ at 0.2 and 10 A g⁻¹, respectively). More importantly, the TzPz cathode also shows a long and stable cyclability of more than 10 000 cycles. These results demonstrate that the D–A structural design is an efficient strategy for developing high-performance polymer cathodes for dual-ion batteries.     

Electrorheological response behavior of H2Ti2O5@MoS2@SiO2 core-shell nanoparticles

In this paper, a novel H₂Ti₂O₅@MoS₂@SiO₂ ternary composite material was prepared by a combination of dual hydrothermal method and controlled hydrolysis method, in which H₂Ti₂O₅ nanotubes are tightly combined with hierarchical molybdenum disulfide, and the unique structure of titanate nano whiskers, including the loosely bound alkali metal ions between the titanate layers with high dielectric constant and the large aspect ratio, which induce active response to the electric field. Flower-like molybdenum disulfide provides electrical conductivity, and silicon dioxide as a insulative coating layer can suppress excessive the electrical conductivity of the two-dimensional material. The morphological evolution was studied by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The results of showed that the sheet-shaped molybdenum disulfide coated with curved H₂Ti₂O₅ nanotubes showed a honeycomb structure with uniform size. Silicon oxide acts as a cladding layer to increase the thickness of the flakes. The existence of H₂Ti₂O₅, molybdenum disulfide and silicon dioxide is confirmed by X-ray powder diffractometer (XRD) and Fourier transform infrared spectroscopy (FT-IR). The prepared product was confirmed by XPS, BET test and electrorheological rheometer. Core/shell nanoparticles not only exert the active response characteristics of titanate nanoparticles and molybdenum disulfide to electric field, but also inherit the excellent characteristics of a core-shell structure produced by the interface polarization and the synergistic effect of the polar groups on the surface of the two-dimensional material further enhance the electrorheological effect.     

Enhancing the Photovoltaic Performance of Ladder-Type Heteroheptacene-based Nonfullerene Acceptors by Incorporating Halogen Atoms on Their Ending Groups

Ending group halogenation is an effective strategy for modulating the energy levels, bandgaps, and intermolecular interactions of nonfullerene acceptors. Understanding the influence of different halogen atoms on the acceptor properties is of great importance for designing high-performance nonfullerene acceptors. Here, three acceptor–donor–acceptor (A-D-A) type nonfullerene acceptors (M5, M6, and M7), which are constructed by using a ladder-type heteroheptacene core without the traditional sp³ carbon-bonded side chains as the electron-rich core, and 2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile without or with halogen atoms as the ending groups. The nonfullerene acceptors with chlorinated (M6) and brominated (M7) ending groups exhibit broadened absorption spectra, down-shifted energy levels, and enhanced molecular ordering compared to the counterpart without any halogenated ending groups (M5). Among the nonfullerene acceptors, M6 has the strongest intermolecular π π interaction with its shortest π π interaction distance and the longest coherent length which are beneficial for enhancing the charge transport and therefore boosting the photovoltaic performance. An excellent power conversion efficiency of 15.45% is achieved for the best-performing polymer solar cell based on M6. These results suggest that the halogenated ending groups are essential for high-performance heteroheptacene-based nonfullerene acceptors considering their simultaneous enhancements in both the light-harvesting and the charge transport.