碳点在润滑领域中的应用

各种形式的摩擦和磨损不仅消耗了全球20%以上的能源,而且造成大量设备损坏。因此,开发减摩抗磨润滑材料对节约能源、延长机械设备使用寿命具有重要意义。碳点是一种新型的碳纳米材料,被广泛应用于化学传感、生物成像、催化、光电器件等领域。近年来,大量研究探索了碳点在工业润滑、微/纳米电子机械系统润滑、生物润滑等润滑领域的应用,证明了碳点具有优异的摩擦学性能,具备巨大潜力成为下一代绿色高效的减摩抗磨润滑材料。然而,至今仍缺乏碳点在润滑领域应用的系统性总结论述。因此,本文对碳点在润滑领域应用的研究进展作了全面系统综述。首先,详细介绍了碳点作为纳米添加剂和润滑涂层的润滑效果及提升其润滑性能的3种策略(尺寸形状控制、表面修饰、杂原子掺杂);然后,全面分析了碳点的润滑机理;最后概述了碳点在润滑领域应用所面临的主要挑战。     

Synthesis,structures and properties of copper(II) and zinc(II) complexes with 1,2-bis(benzimidazol-2-yl)ethane ligands

Transition Metal Chemistry - 1,2-Bis(benzimidazol-2-yl)ethane (bbe) and its transition metal complexes, [Cu(bbe)Cl2]·DMF (1) and [Zn(bbe)Cl2]2(2), have been synthesized and characterized by...     

极端高温环境下空气源热泵冷热水机组制冷实验研究

针对现有空气源热泵冷热水机组高温环境运行效果差、效率低、排气温度过高导致停机等问题,设计一套基于准双级压缩循环理论,以R410A为制冷剂的中压补气型空气源热泵冷热水机组。在50℃极端环境温度下,采用中压补气技术,对系统的制冷性能进行实验研究。结果表明:(1)系统出水温度由10℃增至15℃时,制冷量增加77.28%,EER提高59.02%,系统的制冷量、功率和EER均随出水温度的升高而增加;(2)相较不补气模式,系统排气温度由111.9℃降至106.23℃,制冷量由14.14 kW增至16.05 kW,可有效降低排气温度,提升制冷量,能更好提高系统超高温制冷时的稳定性。     

A method for lactate and pyruvate determination in filter-paper dried blood spots

Lactic acidemia is commonly associated with severe diseases in pediatric patients. Quantitation of blood lactate and pyruvate is important for the diagnosis and clinical management. A liquid chromatography–tandem mass spectrometry (LC–MS/MS) method using dried blood spots (DBS) was developed and could be used for simultaneous quantification of blood lactate and pyruvate. The applicability of the developed method was tested and confirmed by the regression analysis between LC–MS/MS method and enzymatic assay. Lactate and pyruvate were extracted from DBS obtained from 580 full-term, 120 pre-term infants (gestations ranging from 24 to 36 weeks), and 65 patients with suspected lactic acidemia, with methanolic internal standard (IS) solutions of sodium l-lactate-¹³C₃ and pyruvate-¹³C₃. An API-2000 LC–MS/MS system with multiple reaction monitoring (MRM) mode was applied. The within-run and between-run precisions (CV%) were determined and the results were 1.9% and 3.9% for lactate (n = 20) and 5.7% and 7.3% for pyruvate (n = 20). The linearity of lactate (r = 0.9986) and pyruvate (r = 0.9973) based on the IS was excellent. The parameter r squared (r²) of linear regression between LC–MS/MS method and enzymatic assay was 0.9405 for lactate and 0.9447 for pyruvate, respectively, and the agreement between these methods was consistent and acceptable. The stability of lactate and pyruvate on DBS was also confirmed. The LC–MS/MS method we developed is a specific, sensitive, and reproducible method for measuring blood lactate and pyruvate concentrations. The use of DBS in this method makes it particularly attractive for pediatric patients.     

Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidase

The identification of hot spots, i.e., binding regions that contribute substantially to the free energy of ligand binding, is a critical step for structure-based drug design. Here we present the application of two fragment-based methods to the detection of hot spots for DJ-1 and glucocerebrosidase (GCase), targets for the development of therapeutics for Parkinson’s and Gaucher’s diseases, respectively. While the structures of these two proteins are known, binding information is lacking. In this study we employ the experimental multiple solvent crystal structures (MSCS) method and computational fragment mapping (FTMap) to identify regions suitable for the development of pharmacological chaperones for DJ-1 and GCase. Comparison of data derived via MSCS and FTMap also shows that FTMap, a computational method for the identification of fragment binding hot spots, is an accurate and robust alternative to the performance of expensive and difficult crystallographic experiments.     

Room-temperature deposition of group III metals on Si(1 0 0): A comparative study of nucleation behavior

In this paper, we compare and contrast the processes of nucleation and subsequent growth of single-atom wide metal chains formed when group III metals (Al, Ga, In) are deposited onto Si(1 0 0) at room-temperature (RT). Employing Density Functional Theory (DFT) calculations, diffusion pathways on Si(1 0 0) surface are identified and their associated activation barriers are calculated. Then, the relative stabilities of various C-defect-pinned chains are examined by comparing the relevant adsorption energies. We also account for the observation that defect-nucleated chains grow on only one side of a C-defect by showing that the latter’s presence breaks the symmetry between the two previously equivalent binding sites on either side and rendering one much more stable than the other. Next, a growth model tailored for each group III metal/Si(1 0 0) system and incorporating the above results was simulated using Kinetic Monte Carlo (KMC) techniques to show that the surface morphologies generated by this model accurately reflect the observed ratio of homogeneously to heterogeneously nucleated chains. Finally, we examine through KMC simulations the consequences of the contrasting roles of a defect on In/Si(1 0 0) and Al/Si(1 0 0) – it captures adatoms in the former while it merely blocks direct adatom diffusion in the latter – on key quantities such as the mean island density.     

Fast convergence in language games induced by majority rule

We propose a simple model to investigate the evolutionary dynamics of a naming game on well-mixed populations. We assume that each individual has an inherent propensity to maintain his own word about an object whereas other individuals would affect his decision when they communicate. On the one hand, individuals learn the word of another one with a probability pertaining to their propensities. On the other hand, the focal individual would adopt the word held by the majority in a randomly selected group. We have numerically explored how dynamical behavior evolves as a result of combination of these two competing update patterns. A parameter governs the time scale ratio at which the two update patterns separately progress. We find that an increasing tendency to adopt the word held by the majority results in a rapid extinction of most words, thus more easily induces the system to a global consensus. Large initial probabilities denoting propensity are found to be unfavorable for the achievement of the consensus. Interestingly, simulation results indicate that the convergence time is negligibly affected by the number of initial distinct words when this number exceeds a certain value. Results from our model may offer an insight into better understanding the intricate dynamics of naming games.     

Heterogeneity of allocation promotes cooperation in public goods games

We investigate the effects of heterogeneous investment and distribution on the evolution of cooperation in the context of the public goods games. To do this, we develop a simple model in which each individual allocates differing funds to his direct neighbors based upon their difference in connectivity, because of the heterogeneity of real social ties. This difference is characterized by the weight of the link between paired individuals, with an adjustable parameter precisely controlling the heterogeneous level of ties. By numerical simulations, it is found that allocating both too much and too little funds to diverse neighbors can remarkably improve the cooperation level. However, there exists a worst mode of funds allocation leading to the most unfavorable cooperation induced by the moderate values of the parameter. In order to better reveal the potential causes behind these nontrivial phenomena we probe the microscopic characteristics including the average payoff and the cooperator density for individuals of different degrees. It demonstrates rather different dynamical behaviors between the modes of these two types of cooperation promoter. Besides, we also investigate the total link weights of individuals numerically and theoretically for negative values of the parameter, and conclude that the payoff magnitude of middle-degree nodes plays a crucial role in determining the cooperators’ fate.     

基于β-FeSi2的(Fe, M)Si2三元合金相形成规律

二元β-FeSi₂相是一种重要的窄带半导体型金属硅化物,研究了基于该二元相的三元合金的形成规律,以丰富其材料范围.首先,利用团簇线判据作为理论依据,选取一个团簇和一个连接原子构成的模型,添加不同的第三组元作为连接原子,设计了Fe₃Si₈M(M=B, Cr, Ni, Cu, Co, Al）系列合金成分,即用添加组元替代二元相中的Fe连接原子.然后,用真空吸铸和真空甩带方法制备合金棒以及薄带,以获得无成分偏析的均匀合 关键词： 2')" href="#">β-FeSi₂ 三元合金 团簇线     

脉冲偏压电弧离子镀C-N-V薄膜的成分、结构与性能

用脉冲偏压电弧离子镀方法在硬质合金基体上制备了一系列不同成分的C-N-V薄膜.用X射线光电子能谱、激光Raman光谱、 X射线衍射(XRD)、透射电子显微镜(TEM)和纳米压痕等方法分别研究了薄膜的成分、结构与性能.Raman光谱,XRD和TEM结果表明,所制备的薄膜为在类金刚石(DLC)非晶基体上匹配有VN晶体的碳基复合薄膜.随V和N含量的增加,薄膜硬度与弹性模量先增加后下降,在N含量为204%,V含量为218%时薄膜硬度与弹性模量具有最大值,分别为368和5697 GPa,高于相同条件下制备的 关键词： C-N-V薄膜 类金刚石薄膜 纳米复合薄膜 电弧离子镀