Inhibiting effect of heterogeneous cations aggregation enhanced by oxygen deficiency on glass formation of BaTi2O5 melts

Although remarkable development of titanate-based glasses has been achieved, challenge remains to elucidate the correlation between structure and glass-forming properties in these systems due to their complex structure that is inconsistent with the classic Zachariasen's model. In this work, we aim to correlate the structural evolution of titanate melts to their glass-forming ability (GFA). The prototypical material barium dititanate (BaTi₂O₅, BT2) melts with different GFA were rendered by controlled melting atmospheres, and the corresponding structural changes were determined using in situ high-energy synchrotron X-ray diffraction combined with empirical potential structure refinement and ab initio molecular dynamics. The results show that BT2 melt in reducing atmosphere shows poor GFA but that in oxidizing atmosphere presents good GFA. Structural analysis demonstrates the mean coordination number of [TiO_m] polyhedra is analogous in the melt under two different atmospheres but an enhanced heterogeneous cations aggregation takes place in the melt under reducing atmosphere, which is closely related to oxygen-deficiencies. Furthermore, we reveal that the enhanced heterogeneous cations aggregation promotes crystallization (and therefore hinders glass formation) through disordering the distribution of [TiO_m] and [BaO_n] polyhedra, changing the connectivity between these polyhedra, creating more crystal-like Ti-Ti clusters, and decreasing topological disorder of BT2 melt. Our work provides a new viewpoint to understand the GFA of titanates melt from structural heterogeneity beyond the previous perspectives that only focus on [TiO_m] polyhedra.     

Device and Method for Measuring the Efficiency of Spontaneous Imbibition and Displacement in a Low-Permeability Reservoir

Chemistry and Technology of Fuels and Oils - In this paper, the authors have developed a new device and method for measuring the efficiency of spontaneous imbibition and displacement in a low...     

扫描路径对激光立体成型GH3536合金组织与性能的影响

GH3536合金是制造航空发动燃油喷嘴的主要材料。相比于传统的加工工艺，激光立体成形技术具有近净成形等优点，更适于生产结构复杂的结构件，降低成本。而扫描路径在激光立体成形过程中有至关重要的作用。本文采用金相、XRD、SEM、拉伸等检测手段探究45°交叉光栅式与往复交叉光栅式两种扫描路径对激光立体成形GH3536合金的影响。结果表明，两种扫描路径对成形后的GH3536合金显微组织影响不大。基体都是γ相，晶界有M23C6型碳化物，晶内既有M23C6型碳化物也有M6C碳化物的存在。往复交叉光栅式的热量累积稍高于45 °交叉光栅式，导致其孔隙率较大，高度较高。两种扫描路径的拉伸性能相近。断裂方式均为塑性断裂，裂纹发生在碳化物处，以沿晶断裂为主。     

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.     

Large domain-wall currents in epitaxial Au/BiFeO3/SrRuO3 thin-film capacitors with modulated oxygen vacancy and wall densities

Large domain wall (DW) conductivity in an insulating ferroelectric plays an important role in the future nanosensors and nonvolatile memories. However, the wall current was usually too small to drive high-speed memory circuits and other agile nanodevices requiring high output-powers. Here, a large domain-wall current of 67.8 μA in a high on/off ratio of ~4460 was observed in an epitaxial Au/BiFeO₃/SrRuO₃ thin-film capacitor with the minimized oxygen vacancy concentration. The studies from read current-write voltage hysteresis loops and piezo-response force microscope images consistently showed remaining of partially unswitched domains after application of an opposite poling voltage that increased domain wall density and wall current greatly. A theoretical model was proposed to explain the large wall current. According to this model, the domain reversal occurs with the appearance of head-to-head and tail-to-tail 180° domain walls (DWs), resulting in the formation of highly conductive wall paths. As the applied voltage increased, the domain-wall number increased to enhance the on-state current, in agreement with the measurements of current-voltage curves. This work paves a way to modulate DW currents within epitaxial Au/BiFeO₃/SrRuO₃ thin-film capacitors through the optimization of both oxygen vacancy and domain wall densities to achieve large output powers of modern domain-wall nanodevices.     

Reusable Polyacrylonitrile-Sulfur Extractor of Heavy Metal Ions from Wastewater

Mercury, lead, and cadmium are among the most toxic and carcinogenic heavy metal ions (HMIs), posing serious threats to the sustainability of aquatic ecosystems and public health. There is an urgent need to remove these ions from water by a cheap but green process. Traditional methods have insufficient removal efficiency and reusability. Structurally robust, large surface-area adsorbents functionalized with high-selectivity affinity to HMIs are attractive filter materials. Here, an adsorbent prepared by vulcanization of polyacrylonitrile (PAN), a nitrogen-rich polymer, is reported, giving rise to PAN-S nanoparticles with cyclic π-conjugated backbone and electronic conductivity. PAN-S can be coated on ultra-robust melamine (ML) foam by simple dipping and drying. In agreement with hard/soft acid/base theory, N- and S-containing soft Lewis bases have strong binding to Hg²⁺, Pb²⁺, Cu²⁺, and Cd²⁺, with extraordinary capture efficiency and performance stability. Furthermore, the used filters, when collected and electrochemically biased in a recycling bath, can release the HMIs into the bath and electrodeposit on the counter-electrode as metallic Hg⁰, Pb⁰, Cu⁰, and Cd⁰, and the PAN-S@ML filter can then be reused at least 6 times as new. The electronically conductive PAN-S@ML filter can be fabricated cheaply and holds promise for scale-up applications.     

Effect of wind condition on unintended hydrogen release in a hydrogen refueling station

Ambient condition, especially the wind condition, is an important factor to determine the behavior of hydrogen diffusion during hydrogen release. However, only few studies aim at the quantitative study of the hydrogen diffusion in a wind-exist condition. And very little researches aiming at the variable wind condition have been done. In this paper, the hydrogen diffusion in different wind condition which including the constant wind velocity and the variable wind velocity is investigated numerically. When considering the variable wind velocity, the UDF (user defined function) is compiled. Characteristics of the FGC (flammable gas cloud) and the HMF (hydrogen mass fraction) are analyzed in different wind condition and comparisons are made with the no-wind condition. Results indicate that the constant wind velocity and the variable wind velocity have totally different effect for the determination of hydrogen diffusion. Comparisons between the constant wind velocity and the variable wind velocity indicate that the variable wind velocity may cause a more dangerous situation since there has a larger FGC volume. More importantly, the wind condition has a non-negligible effect when considering the HMF along the radial direction. As the wind velocity increases, the distribution of the HMF along the radial direction is not Gaussian anymore when the distance between the release hole and the observation line exceeds to a critical value. This work can be a supplement of the research on the hydrogen release and diffusion and a valuable reference for the researchers.     

Chicken nuggets-like core/shell nanosheet arrays as high performance flexible all-solid-state supercapacitor cathode and buckwheat shell as anode

The energy density of a flexible all-solid-state supercapacitor (ASC) requires new electrode material with special structure and morphology as a prerequisite for its secured improvement. In this paper, a new morphological exploration of chicken nuggets-like core/shell NiCo₂O₄/MnO₂ (NCM) nanosheet arrays on Ni foam was employed. The application of this special morphology aims to greatly improve the electrochemical performance of the cathode electrode. Additionally, Buckwheat Biochar (BBC) is utilized as the anode while the PVA/KOH thin film is prepared as the separator. The chicken nuggets-like core/shell NCM nanosheet arrays were obtained by a two-step hydrothermal method. A series of characterization methods were carried out to further support the core/shell's well-designed structure and precise composition. The tests exhibited excellent specific capacitance of 593.3 F g^?1 at 5 mA cm^?2 and outstanding cycling stability with a retention of 90% after 10000 cycles. Furthermore, the assembled NCM//BBC ASC device indicated a high specific capacitance (239 F g^?1 at the current density of 5 mA cm^?2), this is in due part of the unique architecture of NCM nanosheet arrays and interconnected special porous structure of the BBC and the thin film PVA/KOH. Hence, the assembled ASC device exhibited high energy density (an energy density of 58 Wh·kg^?1 at 3263 W kg^?1) and remarkable cycling stability.     

Simultaneous bioelectricity generation and pollutants removal of sediment microbial fuel cell combined with submerged macrophyte

A submerged macrophyte sediment microbial fuel cell (SP-SMFC) was constructed in this study. Ceratophyllum demersum L., Vallisneria natans, Hydrilla verticillate were chosen as the submerged plants to form cer-SMFC, val-SMFC, hyd-SMFC systems. Plant groups showed the advantage of bioelectricity generation and pollutants removal compared with the unplanted system. The cer-SMFC group stood out with the maximum power density as 24.56 mW m^?2 and the average pollutants removal in overlying water (COD: 81.16%, TN: 65.27%, TP: 79.10%) and in sediments (TN: 26.40%, TP: 21.79%). The determination of root exudates and radial oxygen loss (ROL) demonstrated that C. demersum L. was superior to other studied submerged macrophytes. More root exudates may contribute to an increase in available substrates for electrochemically active bacteria and other microorganisms. Higher enzyme activities were obtained in three SP-SMFCs (especially in cer-SMFC). ATPase and APA activities in cer-SMFC group were increased by over 40% compared with the control. The results indicated that the presence of plants enhanced the microorganism activities, thereby improving bioelectricity generation and pollutants removal. This study will facilitate the application of SP-SMFC technology as an alternative for in situ remediation of polluted sediments.