Crystallization behavior and density functional theory study of solution combustion synthesized silicon doped calcium phosphates

The influence of heat-treatment temperatures (700 °C, 900°C, 1200 °C) on the phase, physical properties, crystallization rate, and in vitro properties of the solution combustion synthesized silicon-doped calcium phosphates (CaPs) were investigated. The thermodynamic aspects (enthalpy, entropy, and free energy) of the synthesis process and the crystallographic properties of the final samples were first predicted and then confirmed using density functional theory (DFT). Results demonstrated that the crystallization rate was controlled by the fuel(s) type (glycine, citric acid, and urea) and the amounts of Si⁴⁺ ions (0, 0.1, 0.4 mol). The highest calculated crystallization rate values of the un-doped, 0.1, and 0.4 mol Si-doped samples were 64%, 22%, 38%, respectively. The obtained results from the DFT simulation revealed that crystal growth in the direction of c-axis of hydroxyapatite (HAp) structure could change the stability of (001) surface of (HAp). Also, the computational data confirmed the adsorption of Si–OH groups on the (001) surface of HAp during the SCS process with an adsorption energy of 1.53 eV. AFM results in line with DFT simulation showed that the observed change in the surface roughness of Si-doped CaPs from 2 to 8 nm could be related to the doping of Si⁴⁺ ions onto the surface of CaPs. Besides, the theoretical and experimental investigation showed that crystal growth and doping of Si⁴⁺ ions could decrease the activation energy of oxygen reduction reaction (ORR). Furthermore, the results showed that the crystallized HAp structure could have great potential to efficiently reduce oxidative stress in human body.     

汉江上游干支流沉积物细菌群落多样性和影响因素

为了解汉江上游干支流沉积物细菌多样性以及确定性过程和随机性过程在沉积物细菌群落构建过程中的相对重要性,基于Illumina高通量测序技术,分析了环境因子对细菌群落组成的影响,采用非度量多维尺度(NMDS)排序探究了季节之间沉积物细菌群落的差异,并结合中性群落模型和标准化随机率量化了确定性过程和随机过程对群落构建的影响。结果表明:汉江上游及其支流细菌群落主要由变形菌门(Proteobacteria)、拟杆菌门(Bacteroidetes)、蓝藻门(Cyanophyta)、浮霉菌门(Planctomycetes)和酸杆菌门(Acidobacteria)等组成；细菌群落在不同季节有显著差异；地理距离和环境因子对细菌群落结构影响较小,确定性过程并未在细菌群落组成中起到主导作用；随机过程很大程度上影响了群落在秋季和春季的组成,是沉积物细菌群落构建的主导因素。     

高职模具类人才培养新模式的研究与实践

为了解决传统教学无法全面培养人才的问题,采用"课程融合+时空耦合+过程结合"的方式开展人才培养研究。以注射模设计与制造生产过程为导向,构建大项目牵引下的跨越课程、跨越学期的课程融合新模式,利用信息通信技术及互联网平台,将互联网与传统教学进行深度融合,创造新的教学生态,构建多元多维互动的时空耦合教学新关系,以全方位评价为引导,构建课程多元多维的评价新机制。以3个班级为对象开展不同模式下的教学,对试验班级成绩进行分析,研究结果表明:课程融合+时空耦合+过程结合新模式培养的学生更好地完成了综合项目,获得了较好的教学效果。     

注射模生产中智能化控制及应用

分析了注射模生产的现状，针对其生产中智能化调控应用方面的不足，提出模内参数的自适应调节方案，还介绍了自适应工作的原理、可调参数种类、逻辑推理等，并实际验证了基于注塑设备联网集成工艺数据下注射模成型工艺自适应调节的可行性。     

Improved thermal stability of the near-infrared Al-modulated Zn3Ga2GeO8: Cr3+ phosphors for plant growth applications

The exploration of the high thermal stability near-infrared (NIR) phosphors is significantly crucial for the development of plant lighting. However, NIR phosphors suffer from the poor chemical and thermal stability, which severely limits their long-term operation. Here, the successful improvement of luminous intensity (149.5%) and thermal stability at 423 K of Zn₃Ga₂GeO₈ (ZGGO): Cr³⁺ phosphors is achieved for the introduction of Al³⁺ ions into the host. The release of carriers in deep traps inhibits the emission loss for the thermal disturbance. Furthermore, an NIR light emitting diodes (LEDs) lamp is explored by combining the optimized Zn₃Ga_1.1675Al_0.8GeO₈: 0.0325Cr³⁺ phosphors with a commercial 460 nm blue chip, and the emission band can match well with the absorption bands of photosynthetic pigments and the phytochrome (P_R and P_FR) of plants. The explored LEDs lamp further determines the growth and the pheromone content of the involved plants for the participation of the NIR emission originated from Cr³⁺ ions. Our work provides a promising NIR lamp as plant light with improved thermal stability for long-term operation.     

Construction and analysis of photovoltaic directly coupled conditions in PEM electrolyzer

The Markov model and the PEM electrolyzer system model for directly coupled photovoltaic are combined to construct an efficient and reliable working condition that fits the fluctuation characteristics of solar energy. The working condition is designed through genetic algorithm so that the average coupling efficiency of the system can reach 98.8%. Then, the durability and recovery test are conducted on the basis of the constructed conditions. It is found that the attenuation rate at the current density of 1A/cm² under the photovoltaic fluctuating condition reached 7.8mV/h, which is twice that under the constant current condition. The charge transfer impedance (R_ct) is the main factor leading to the degradation. It is proved by the recovery experiment that the increase of R_ct is related to the pollution of metal ions. After pickling to remove some metal ions, R_ct can be significantly reduced by 46.8% and 65.2%, respectively. After the durability test, the voltammetric charges under the photovoltaic fluctuating condition and the constant current condition are reduced by 48.3% and 19.1% It indicates that the photovoltaic fluctuation condition will accelerate the attenuation of the effective reaction area of MEA, which is irreversible even after pickling. It can be observed from the SEM images that the catalyst layer of MEA has more obvious peeling under the photovoltaic fluctuation condition, which is not conducive to material transmission and destroys the transmission channel of ions and electrons. This result can provide a reliable reference for the coupling design of PEM electrolyzer and renewable energy in the future.     

Analytical Modeling for Translating Statistical Changes to Circuit Variability by Ultra-Deep Submicron Digital Circuit Design

This paper presents a physics-based compact gate delay model that includes all short-channel phenomena prevalent at the ultra-deep submicron technology node of 32 nm. To simplify calculations, the proposed model is connected to a compact α-power law-based (Sakurai-Newton) model. The model has been tested on a wide range of supply voltages. The model accurately predicts nominal delays and the delays under process variations. It has been shown that at lower technology nodes, the delay is more sensitive to threshold voltage variations, specifically at the sub-threshold operating region as compared with effective channel length variations above the threshold region.     

Form selection of concomitant polymorphs: A case study informed by crystallization kinetics modeling

Molecular mechanisms and process kinetics of crystallizing concomitant polymorphs remain poorly understood. Solvent-mediated phase transformation and concomitant crystallization are difficult to be distinguished in practice, as multiple forms can be detected at the same time. Herein, we developed a population balance model to simulate a concomitant crystallization process of two polymorphs of tolfenamic acid. Our kinetic modeling aims to understand concomitant crystallization and help guide form selection of such a molecular system. Crystallization kinetics of ethanolic solutions were uncovered from induction time measurements, as well as seeded and unseeded crystallization experiments. Experimental and simulation results demonstrate that the stable form I crystallizes concomitantly with the metastable form II. The faster growing form II results in an intermediate decline in the composition of form I in crystallized samples, a characteristic feature of the concomitantly crystallized system. A four-quadrant scheme of attainable polymorph outcome was simulated under various crystallization conditions.     

Cold sintered,temperature-stable CaSnSiO5-K2MoO4 composite microwave ceramics and its prototype microstrip patch antenna

Dense (1-x)wt%CaSnSiO₅-xwt%K₂MoO₄ (CSSO-KMO) composite ceramics were fabricated by the cold sintering process at 180 °C under 400 MPa for 60 min. X-ray diffraction, Energy dispersive X-ray and Raman spectroscopy confirmed that CSSO and KMO coexisted without intermediate phases. As KMO weight fraction increased, relative permittivity (ε_r) and temperature coefficient of resonant frequency (τ_f) decreased and the microwave quality factor (Q×f, where f is resonant frequency) increased. Near-zero τ_f (-0.5 ppm/°C) was obtained for 65 wt%CSSO-35 wt%KMO with ε_r ～ 9.2 and Q×f ～ 6240 GHz. No chemical reaction between ceramic composites and silver was observed, demonstrating potential for cofiring with Ag-paste. A prototype antenna was fabricated from 65 wt%CSSO-35 wt%KMO composite ceramic with a bandwidth of 144 MHz @ -10 dB, a gain of 5.7 dBi and a total efficiency of 88.4 % at 5.2 GHz, suitable for 5 G mobile communication systems.