Intrinsic Defect Limit to the Growth of Orthorhombic HfO2 and (Hf,Zr)O2 with Strong Ferroelectricity: First-Principles Insights

It is believed that promoting the fraction of ferroelectric orthorhombic phase (o-phase) through O-poor growth conditions can increase the spontaneous polarization of HfO₂ and (Hf,Zr)O₂ thin films. However, the first-principles calculations show that the growth may be limited by the easy formation of point defects in the orthorhombic and tetragonal phases of HfO₂, ZrO₂, and (Hf,Zr)O₂. Their dominant defects, O interstitial (O_i) under O-rich conditions and O vacancy (V_O) under O-poor condition, have low formation energies and quite high density (10¹⁶–10¹⁹ cm⁻³ for 800–1400 K growth temperature). Especially, O_i has negative formation energy in tetragonal HfO₂ under O-rich condition, causing non-stoichiometry and limiting the crystalline-seed formation during o-phase growth. High-density defects can cause disordering of dipole moments and increase leakage current, both diminishing the polarization. These results explain the experimental puzzle that the measured polarization is much lower than the ideal value even in O-poor thin films and highlight that controlling defects is as important as promoting the o-phase fraction for enhancing ferroelectricity. The O-intermediate condition (average of O-rich and O-poor conditions) and low growth temperature are proposed for fabricating HfO₂ and (Hf,Zr)O₂ with fewer defects, lower leakage current, and stronger ferroelectricity, which challenges the belief that O-poor condition is optimal.     

Cyclic thermal shock resistance of h-BN composite ceramics with La2O3–Al2O3–SiO2 addition

The effects of La₂O₃–Al₂O₃–SiO₂ addition on the thermal conductivity, coefficient of thermal expansion (CTE), Young's modulus and cyclic thermal shock resistance of hot-pressed h-BN composite ceramics were investigated. The samples were heated to 1000 °C and then quenched to room temperature with 1–50 cycles, and the residual flexural strength was used to evaluate cyclic thermal shock resistance. h-BN composite ceramics containing 10 vol% La₂O₃–Al₂O₃ and 20 vol% SiO₂ addition exhibited the highest flexural strength, thermal conductivity and relatively low CTE, which were beneficial to the excellent thermal shock resistance. In addition, the viscous amorphous phase of ternary La₂O₃–Al₂O₃–SiO₂ system could accommodate and relax thermal stress contributing to the high thermal shock resistance. Therefore, the residual flexural strength still maintained the value of 234.3 MPa (86.9% of initial strength) after 50 cycles of thermal shock.     

The Highly Effective Cobalt Based Metal–Organic Frameworks Catalyst for One Pot Oxidative Esterification Under Mild Conditions

Catalysis Letters - The cobalt-based metal organic frameworks (Co-MOFs) catalyst has been prepared with using terephthalic acid and 4,4′-bipyridine as organic linkers by facile solvothermal...     

渗流作用下新型装配重力式挡土墙有限元分析

为研究渗流作用下新型装配重力式挡土墙应力变化及墙体排水通道对墙后土体固结的影响,采用ABAQUS进行有限元分析,有限元分析结果与模型试验结果相吻合,证明该模型的合理性。在此基础上研究渗流作用下墙体应力变化趋势及墙体排水通道对墙后土体固结效果的影响。研究结果表明:横向排水通道对墙后土体固结效果的影响优于纵向排水通道对土体固结效果的影响,墙体底部横向排水通道的影响作用最显著;渗流作用下墙体应力由上往下呈先增大后减小的趋势,墙体下部所受最大水平剪应力最大。     

木片筛余物高得率半化学法清洁制浆技术研究

以太阳纸业备料车间木片筛选碎料（筛余物）为原料，对其烧碱法半化学制浆的实验室工艺和生产试验进行了研究。结果表明，筛余物采用半化学法制浆可获得较高得率和环压强度的纸浆，且用碱量对纸浆性能有显著影响。相对8%NaOH （相对于绝干原料）化学预处理，采用14%NaOH化学预处理结合两段浆浓22%的高浓磨浆工艺，所制半化学浆抄造浆张的裂断长和环压指数分别达2.89 km和9.76 N·m/g，是前者的1.9倍和1.2倍，而且优于现用国内OCC废纸浆抄造浆张；生产试验得到的浆张性能指标与实验室相吻合，其中紧度和环压强度分别达到GB/T 13023—2008瓦楞芯（原）纸AA级和A级优等品要求。     

基于归一化水体指数及其阈值自适应算法的水体遥感反演效果分析

归一化水体指数（NDWI）是水体遥感反演的一种重要指标，其阈值及修正直接影响反演结果的精度。基于Landsat-8与GF-1光学多光谱影像，使用归一化水体指数法阈值0（TH₀）、最大类间方差法（OTSU）自适应阈值（TH_otsu）与均值漂移聚类算法（Mean-Shift）自适应阈值（TH_MS）分别对典型正常水体、云雾覆盖水体、富营养化水体、高含泥沙水体进行水体遥感提取与效果分析，结果表明：正常水体以TH₀为阈值提取精度最高，THMS提取精度次之，TH_otsu提取精度最差；而云雾覆盖水体、富营养化水体以及含泥沙水体使用THMS提取精度最高，尤其少量云雾覆盖下的水体，TH_MS具有更明显的优势，TH₀提取精度次之，TH_otsu提取精度最差；对于不同的阈值，Land?sat-8比GF-1总体表现出更高的水体提取精度。Mean-Shift算法应用于NDWI阈值修正与水体遥感反演具有快速、水质适应性强、效果稳定的优势，对尤其是复杂条件下的水体信息遥感反演具有较好的提取效果。