配分工艺对中碳Ti-Mo高强Q&P钢组织和性能的影响

摘要：采用盐浴实验、扫描电镜、透射电镜、拉伸实验和磨损实验等手段，研究了配分工艺对中碳Ti Mo钢组织和性能的影响，分析了不同配分工艺处理下的组织演变和性能变化。结果表明，显微组织主要由回火马氏体、渗碳体、(Ti，Mo)C粒子组成。随着配分时间的延长和配分温度的升高，板条马氏体数量减少，马氏体板条厚度增加，边界钝化。此外，随着配分温度从310℃提高至400℃，抗拉强度、硬度和低温冲击韧性同时下降，分别降低约250MPa、56HV和15J。最后，Ms以下温度配分（310℃）试样的耐磨损性能明显优于Ms以上温度配分（400℃）试样。Ms以下温度配分试样磨损表面形貌以塑性变形为主，Ms以上温度配分试样磨损表面以犁沟为主。     

智能数据分区与布局研究

大数据时代,数据规模庞大,由数据进行驱动的应用分析场景日益增多.如何快速、高效地从这些海量数据中提取出用以分析决策的信息,给数据库系统带来重大挑战.同时,现代商业分析决策对分析数据的实时性要求数据库系统能够同时快速处理ACID事务和复杂的分析查询.然而,传统的数据分区粒度太粗,且不能适应动态变化的复杂分析负载;传统的数据布局单一,不能应对现代大量增加的混合事务分析应用场景.为了解决以上问题,“智能数据分区与布局”成为当前的研究热点之一,它通过数据挖掘、机器学习等技术抽取工作负载的有效特征,设计最佳的分区策略来避免扫描大量不相关的数据,指导布局结构设计以适应不同类型的工作负载.首先介绍了智能数据分区与布局的相关背景知识,然后对智能数据分区与布局技术的研究动机、发展趋势、关键技术进行详细的阐述.最后,对智能数据分区与布局技术的研究前景做出总结与展望.     

Microenvironment-Sensitive Fluorescent Ligand Binds Ascaris Telomere Antiparallel G-Quadruplex DNA with Blue-Shift and Enhanced Emission

The development of small molecules that can selectively target G-quadruplex (G4) DNAs has drawn considerable attention due to their unique physiological and pathological functions. However, only a few molecules have been found to selectively bind a particular G4 DNA structure. We have developed a fluorescence ligand Q1 , a molecular scaffold with a carbazole–pyridine core bridged by a phenylboronic acid side chain, that acts as a selective ascaris telomere antiparallel G4 DNA ASC20 ligand with about 18 nm blue-shifted and enhanced fluorescence intensity. Photophysical properties revealed that Q1 was sensitive to the microenvironment and gave the best selectivity to ASC20 with an equilibrium binding constant K_a=6.04×10⁵ M⁻¹. Time-resolved fluorescence studies also demonstrated that Q1 showed a longer fluorescence lifetime in the presence of ASC20. The binding characteristics of Q1 with ASC20 were shown in detail in a fluorescent intercalator displacement (FID) assay, a 2-Ap titration experiment and by molecular docking. Ligand Q1 could adopt an appropriate pose at terminal G-quartets of ASC20 through multiple interactions including π–π stacking between aromatic rings; this led to strong fluorescence enhancement. In addition, a co-staining image showed that Q1 is mainly distributed in the cytoplasm. Accordingly, this work provides insights for the development of ligands that selectively targeting a specific G4 DNA structure.     

两相区配分时间对IQ&P钢组织与性能的影响

以含Cu低碳钢为研究对象,利用SEM、EPMA和拉伸试验研究了两相区配分时间对其组织演变、元素配分以及经IQ&P处理后力学性能的影响,并利用Dictra软件对元素配分行为进行了动力学计算。结果表明,IQ处理后试验钢中的块状马氏体形成于原铁素体区域;随两相区配分时间延长,粒状马氏体数量减少,板条状马氏体之间的间距减小。检测和计算结果的对比显示,C、Mn、Cu 3种元素的相对配分速率与计算结果一致,但实际配分速率低于各自的计算结果。随两相区配分时间延长,经IQ&P处理后试验钢的抗拉强度先增加后减小,而伸长率持续减小;在600 s时达到较好的强塑性匹配,强塑积为16 963.24 MPa·%。     

Ab initio calculations of the NO2 fission for CL-20 conformers

NO₂ fission is regarded to be the most important initial decomposition process of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20). In this study, four CL-20 conformers based on the ε-CL-20 were obtained after the optimization at m062x/cc-pvtz level, and the bond length, bond order and bond dissociation energy of the N-N bonds were examined to investigate the stability of these bonds. In addition, the rate constants and activation energy of the NO₂ fission were evaluated using the microcanonical variational transition state theory (μVT). The calculation results have shown that N-N bonds in the case of pseudo-equatorial and axial of nitro groups are the most stable and the least stable, respectively, by evaluating the bond length, bond order and minimum energy path (MEP). The NO₂ fission rate constants are affected by not only the stability of N-N bonds but also the repulsion forces from the other nitro groups, and the fission process for pseudo-equatorial positioning of nitro groups is easier to be accelerated due to the increase of the repulsion forces. The decomposition of CL-20 conformer may mainly originate from the fission of the pseudo-equatorial positioning of nitro groups, especially for CL-20 III conformer because of the significant low activation energy.     

高压下CL-20拉曼光谱和红外光谱相变研究

为了更好地认识和了解CL-20晶体结构演变规律和相变行为,利用金刚石对顶砧超高压实验技术,在0~50GPa下,研究了高压下ε-CL-20的原位拉曼光谱和红外光谱。结果表明,CL-20晶体在整个加压过程中存在两个相变,第一个相变发生在4.2~7.5GPa,认为是ε相到对称性更低的γ相转变,相变产生的原因是在压强的作用下,笼环外的硝基方向发生改变,电子云密度重置导致的分子构型转变;第二个相变发生在14.2~18.9GPa,属于γ相到ζ相的晶体结构转变;卸压后,拉曼和红外光谱恢复常压状态,表明CL-20晶体在研究压强范围内的相变过程是可逆的。     

Sources and dynamics of semivolatile organic compounds in a single‐family residence in northern California

Semivolatile organic compounds (SVOCs) emitted from building materials, consumer products, and occupant activities alter the composition of air in residences where people spend most of their time. Exposures to specific SVOCs potentially pose risks to human health. However, little is known about the chemical complexity, total burden, and dynamic behavior of SVOCs in residential environments. Furthermore, little is known about the influence of human occupancy on the emissions and fates of SVOCs in residential air. Here, we present the first‐ever hourly measurements of airborne SVOCs in a residence during normal occupancy. We employ state‐of‐the‐art semivolatile thermal‐desorption aerosol gas chromatography (SV‐TAG). Indoor air is shown consistently to contain much higher levels of SVOCs than outdoors, in terms of both abundance and chemical complexity. Time‐series data are characterized by temperature‐dependent elevated background levels for a broad suite of chemicals, underlining the importance of continuous emissions from static indoor sources. Substantial increases in SVOC concentrations were associated with episodic occupant activities, especially cooking and cleaning. The number of occupants within the residence showed little influence on the total airborne SVOC concentration. Enhanced ventilation was effective in reducing SVOCs in indoor air, but only temporarily; SVOCs recovered to previous levels within hours.     

The three Rs of river ecosystem resilience: Resources,recruitment, and refugia

Resilience in river ecosystems requires that organisms must persist in the face of highly dynamic hydrological and geomorphological variations. Disturbance events such as floods and droughts are postulated to shape life history traits that support resilience, but river management and conservation would benefit from greater understanding of the emergent effects in communities of river organisms. We unify current knowledge of taxonomic‐, phylogenetic‐, and trait‐based aspects of river communities that might aid the identification and quantification of resilience mechanisms. Temporal variations in river productivity, physical connectivity, and environmental heterogeneity resulting from floods and droughts are highlighted as key characteristics that promote resilience in these dynamic ecosystems. Three community‐wide mechanisms that underlie resilience are (a) partitioning (competition/facilitation) of dynamically varying resources, (b) dispersal, recolonization, and recruitment promoted by connectivity, and (c) functional redundancy in communities promoted by resource heterogeneity and refugia. Along with taxonomic and phylogenetic identity, biological traits related to feeding specialization, dispersal ability, and habitat specialization mediate organism responses to disturbance. Measures of these factors might also enable assessment of the relative contributions of different mechanisms to community resilience. Interactions between abiotic drivers and biotic aspects of resource use, dispersal, and persistence have clear implications for river conservation and management. To support these management needs, we propose a set of taxonomic, phylogenetic, and life‐history trait metrics that might be used to measure resilience mechanisms. By identifying such indicators, our proposed framework can enable targeted management strategies to adapt river ecosystems to global change.     

How hydrogen-storage material affects the decomposition of nitramine explosive: CPMD investigations of LAB-doped CL20

As the most popular high-energy explosives, 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo [5.5.0.0.0] dodecane (Simplified as HNIW or CL20) attracts many attentions for improving its detonation appearance in the application. Here we introduce hydrogen-storage compounds into explosives to estimate the possible improved detonation performances by Car-Parrinello molecular dynamics (CPMD) simulation, where we construct lithium amidoborane (LAB) doped CL20 as the initial structure. Almost all the interactions between hydrogen and CL20 appear exothermic properties, which indicate LAB increases the enthalpies of detonation. The results suggest explosive mixed with hydrogen-storage material is possibly a new field of energetic compound.