Correlation mechanism between force chains and friction mechanism during powder compaction

The relation between friction mechanism and force chains characteristics has not yet been fully studied in the powder metallurgy research area.In this work,a uniaxial compression discrete element model is established based on the compaction process of ferrous powder.Furthermore,the correlation mechanism between force chains and the friction mechanism during powder compaction is investigated.The simulation results reveal a strong correlation between the variation of the friction coefficient and the evolution of force chains.During the powder compaction,the friction coefficient would eventually tend to be stable,a feature which is also closely related to the slip ratio between particles.The side wall friction and the friction between particles would have an important effect on the direction of force chain growth in about one-third of the area near the side wall.The research results provide theoretical guidance for improving the densification process of the powder according to the force chain and friction.     

光谱法研究α-萘乙酸与核酸的相互作用

利用荧光光谱法研究了α-萘乙酸（NAA）与DNA之间的相互作用。结果表明,DNA能使NAA的荧光强度猝灭,根据荧光强度变化和荧光猝灭公式求得NAA与DNA的荧光猝灭常数。荧光寿命实验结果表明,荧光猝灭是由形成复合物的静态猝灭过程所致。黏度实验、离子强度实验等多种实验结果表明,NAA与DNA间的结合作用为部分插入式和沟槽式相结合。     

Modulation and control of DNA charge inversion

DNA is one of most important biological polyelectrolytes,which is negatively charged in physiological condition.Most of Its charge is neutralized by attracting cations in solution.In some conditions,the effective charge of DNA switches its sign from negative to positive,implying charge inversion of DNA.The underlying microscopic mechanism of the counterintuitive phenomenon is still not fully understood although specific chemical affinity and electrostatic ion correlation are considered as two possible driving forces.In this review,we present some recent experimental progress in the modulation and control of DNA charge by single molecular techniques.It has been shown that DNA charge inversion can be modulated bidirectionly by decreasing or increasing the dielectric constant of solution to make the electrophoretic mobility of DNAincrease from a negative value to a positive value.In this meanwhile,charge inversion and condensation of DNA in solution of trivalent and quadrivalent counterions are significantly influenced by pH value of the solution.When mixing quadrivalent counterion with mono-,di-and tri-valent counterions in solution,suppression and promotion of DNA charge inversion can be observed.In addition,hydrophobic effect can play an important role in DNA charge inversiton and compaction.We show that the organic monovalent ions of tetraphenyl chloride arsenic(Ph_4As~+)can induce DNA compaction and even invert its electrophoretic mobility.Thus,hydrophobic effect can be the main driving force of DNA charge inversion and compaction by the organic monovalent ion.     

聚合物纳米复合电解质(PEO)8-ZnO-LiClO4微结构及电导率研究

以聚氧化乙烯(PEO)为基质,成功制备出纳米ZnO掺杂的(PEO)₈-ZnO-LiClO₄离子导电聚合物电解质,并利用多种实验技术,包括扫描电子显微镜、X射线衍射(XRD)、傅里叶变换红外光谱和正电子湮没寿命谱(PALS),系统地研究了纳米ZnO与基质间相互作用及其对聚合物链段运动、纳米尺度自由体积、离子输运和复合电解质电导率的影响.实验结果发现,纳米ZnO的掺杂使聚合物电解质的离子电导率得到了大幅度提高,当ZnO与PEO质量比为6%时达到最大,(PEO)₈-ZnO-LiClO₄的电导率为1.82×10^-4 S ·cm^-1,比(PEO)₈-LiClO₄的电导率(6.58×10^-5 S ·cm^-1)提高了大约一个数量级.XRD结果显示,纳米ZnO的加入降低了PEO的结晶性,增加了锂离子传输的非晶相,从而提高了电导率.离散PALS测量结果表明,随着纳米ZnO的加入,复合电解质的自由体积、浓度和相对自由体积分数f_r均增加.连续PALS分析揭示了自由体积的分布由一个峰劈裂成两个峰,表明纳米ZnO的掺杂对聚合物的微结构有很大影响.基于实验测量的f_r和离子电导率,研究了离子导电机理.研究发现, f_r与电导率之间存在一个直接关系,即f_r越大,越有利于锂离子的传输,导致电导率越大.这个结果支持聚合物电解质导电的自由体积理论. 关键词： 正电子湮没寿命谱 聚合物纳米复合电解质 离子电导率 自由体积     

Fluorescence lifetime of a single molecule as an observable of meta-basin dynamics in fluids near the glass transition

Using single molecule spectroscopy, we show that the fluorescence lifetime trajectories of single probe molecules embedded in a glass-forming polymer melt exhibit strong fluctuations of a hopping character. Using molecular dynamics simulations targeted to explain these experimental observations, we show that the lifetime fluctuations correlate strongly with the average square displacement function of the matrix particles. The latter observable is a direct probe of the meta-basin transitions in the potential energy landscape of glass-forming liquids. We thus show here that single molecule experiments can provide detailed microscopic information on system properties that hitherto have been accessible via computer simulations only.     

铝纳米晶的正电子湮没研究

采用自悬浮定向流-真空热压法,在不同压强下制得铝纳米晶材料,并利用X射线衍射(XRD)和正电子湮没寿命谱(PALS)分析手段对铝纳米晶的结构和微观缺陷进行表征.XRD分析表明:所制备的铝纳米晶的晶粒度为48 nm.PALS分析表明:铝纳米晶的微观缺陷主要为类空位以及空位团,而微孔洞很少;短寿命τ1,中间寿命τ2以及其对应的强度I1,I2随压强变化而呈现阶段性变化;压制压强(P)低于0.39 GPa时制得的纳米晶空位团随压强的增加而逐渐转变为类空位;0.39 GPa P 0.72 GPa时,各类缺陷发生消除;P 0.72 GPa时,各类缺陷进一步发生消除.随压强的提高,铝纳米晶的密度增加,其显微硬度也明显增高.     

Role of tension and twist in single-molecule DNA condensation

Using magnetic tweezers, we study in real time the condensation of single DNA molecules under tension. We find that DNA condensation occurs via discrete nucleated events. By measuring the influence of an imposed twist, we show that condensation is initiated by the formation of a plectonemic supercoil. This demonstrates a strong interplay between the condensation transition and externally imposed mechanical constraints.     

带-NH2的嘧啶环对钌配合物与DNA相互作用的瞬态发光特性的影响

采用时间分辨的发光光谱技术,分别测量了两种新合成的钌配合物[Ru(bpy)2 (dpbpd(NH2)2)]2 和[Ru(phen)2(dpbpd(NH2)2)]2 与小牛胸腺脱氧核糖核酸(ctDNA)相互作用时的瞬态发光动力学过程,并与以往对[Ru(phen)2dppz]2 等的研究结果进行对比,从而研究带-NH2的嘧啶环对配合物与DNA作用动力学过程的影响.结果表明:这两种含有带-NH2的嘧啶环的钌配合物与DNA相互作用时的发光按双指数规律衰减,发光寿命为几十纳秒,比dppz类钌配合物与DNA作用时的发光衰变寿命(几百纳秒)小一个数量级.归因于嘧啶环上的N和-NH2可能与水分子、DNA的碱基对或磷酸骨架形成氢键,从而加快激发态的无辐射弛豫,削弱发射光强,缩短发光寿命.该结论为进一步研究配合物分子与DNA的相互作用的机理提供了一定的依据.     

Signature of the hydrogen-bonded environment of liquid water in X-ray emission spectra from first-principles calculations

Based on ab initio molecular dynamics simulations and density functional theory, we performed a systematic theoretical study to elucidate the correlation between the H-bonded environment and Xray emission spectra of liquid water. The spectra generated from excited water molecules embedded in an intact H-bonded environment yield broader spectral peaks and a larger spectral range than the spectra generated from water molecules in a broken H-bonded environment. Such differences are caused by the local electronic structures on the excited water molecules within the core-hole lifetime that evolve differently through the rearrangement of neighboring water molecules in different H-bonded environments.     

Preparation of DNA films for studies under vacuum conditions

Experiments were carried out to determine the optimum conditions required for the preparation of uniform films of supercoiled plasmid DNA to be used in irradiation experiments under high vacuum conditions. Investigations reveal that significant damage to the DNA molecules occurs due to the evacuation process when films were formed from DNA samples in ultra high purity water only. A variety of bases were tested for their possible protective capabilities and sodium hydroxide solution was found to be the most effective in maintaining the supercoiled structure of plasmid DNA during the preparation process. Using a transmission electron microscope we also examined the structure of the DNA films which are formed upon evacuation and how the proposed adducts influence the preparation process. It was found that the addition of bases cause the DNA to aggregate, noting that a base is required for the stability of the DNA molecules. The experimental results presented in this paper show that it may not be possible to perform experiments on so-called pure DNA under vacuum with no stabilizers being added to the sample before the evacuation process.     

Time dependence of the dipole moment of the <Emphasis Type="Italic">S</Emphasis><Subscript>1</Subscript> electronic state in molecules with charge transfer

It is shown that the time dependence of the dipole moment μ(t) of molecules with charge transfer can be determined on the basis of the correlation functions found from processing of the instantaneous spontaneous emission spectra of the molecules. The time dependence calculated for a solution of dimethylaminobenzonitrile molecules shows that, during the lifetime of an excited electronic state, the dipole moment changes from 9.3 ± 0.7 to 15.7 ± 0.7 D, with the most significant change occurring in the initial, quick, range of the correlation function.     

Characteristics of VUV ionizer in a vacuum chamber of flat panel displays

Flat panel displays are often exposed to the electrostatic damage during various panel manufacturing processes. In this paper, we report the electrostatic discharge failure in a unique process condition of OLED display process during which the substrate of OLED display is turned over while in the vacuum chucking condition. In order to solve this failure, we adopted newly developed technology of VUV (Vacuum Ultraviolet) radiation to neutralize the electrostatic electricity. This technology generates ions and electrons by ionizing residual molecules in vacuum chamber such that it enables the charged substrates to be neutralized in the chamber. While this new neutralization method is certainly effective in high vacuum process, the lifetime and performance of the VUV ionizer are not validated. To understand the lifetime and performance of VUV ionizer, we conducted the experiments in the vacuum chamber of an 8th generation display facility with various operating time of UV lamp. We analyzed the characteristic of VUV lamp and suggested the neutralization mechanism of VUV ionizer in a low pressure. Based on the experiments, this new neutralization method performs well under the high vacuum environment and is able to completely reduce the electrostatic potential down to 0 V within a short time.     

基于CRDS系统对北京夜间大气边界层NO_3自由基观测与分析

夜间大气NO3自由基的氧化能力相当于白天OH自由基,鉴于NO3自由基在大气反应过程中的关键作用,准确测量其浓度及研究其夜间大气化学过程具有重大意义。采用以二极管激光器为光源(中心波长为662nm,半高宽0.3nm),两块高反射率镜片(R≥99.998 5%)形成的腔体为光学共振腔,有效光程达到约20km的腔衰荡光谱系统(CRDS)对夜间大气NO3自由基进行测量,并且针对秋冬季交通繁忙区域夜间大气边界层NO3自由基化学过程进行研究。采用该系统于2014年10月29日—11月15日在北京市中国科学院大学校园开展了NO3自由基连续外场观测实验,观测期间NO3自由基浓度相对较低,最大浓度约为50pptv,平均值为10pptv。并结合NO2,NO和O3等相关辅助数据对测量结果进行分析,分析表明在观测期间NO3自由基产率为0.04~1.03pptv·s-1,平均寿命约为68s。并且近一步分析了观测期间大气NO3自由基损耗途径,探讨了不同湿度及颗粒物浓度对其损耗的影响。即观测期间当大气中RH≥60%,PM2.5浓度大部分大于60μg·m-3时,ln(τss(NO3))与ln(NO2)的相关性达到0.79,大气中NO3自由基损耗主要以间接为主;然而在RH≤40%,PM2.5浓度大部分小于60μg·m-3时,因测量点靠近国道受局地污染源影响,直接损耗较显著;当大气中40%RH60%时,直接损耗与间接损耗途径都存在且不可忽视。     

核酸与有机小分子反应机理的荧光特性研究

核酸与有机小分子的反应机理对认识核酸的结构与功能具有重要作用,也是揭示核酸的生物功能与一些药物的作用机制的重要途径。研究核酸与有机小分子之间的相互作用对生命过程的模拟和生命本质的探索具有十分重要的意义,并对近年来该领域采用的荧光光谱法进行了综述,从温度、双分子猝灭过程的速率常数、荧光寿命以及吸收光谱的变化等方面作了论述,从而确定了核酸与有机小分子(染料和药物)之间相互作用的荧光猝灭类型;总结了结合常数、荧光给体-受体间的作用距离、作用力类型及结合方式的多种求算方法,并分别阐述了核酸与染料及药物在不同结合数下生成常数的计算方法。这对研究核酸与有机小分子之间的作用机理、开发新的核酸探针以及以核酸为靶标的药物分子的设计有一定的指导意义。     

新型贮存式氧化物阴极寿命机理的初步探讨

对一种新型贮存式氧化物阴极及一种普通氧化物阴极进行了寿命实验,采用XPS分析技术对这两种阴极寿命中不同涂层深度的Ba浓度进行对比分析,结合新型贮存式阴极结构及贮存发射材料的性质对这种阴极的寿命机理进行了探讨.结果表明,新型贮存式氧化物阴极的寿命是普通氧化物阴极的7倍,同时发现新型贮存式氧化物阴极涂层深处保持稳定Ba浓度是其具有长寿命的关键. 关键词： 氧化物阴极 寿命 盈余Ba 贮存发射材料     

A combined theoretical and experimental study of the ultrafast photophysics of Rhodamine B

The ultrafast dynamics of zwitterionic and cationic Rhodamine B in ethanol have been investigated using TDDFT calculations and ultrafast transient absorption spectroscopy. The calculations show that the zwitterionic form exhibits an electronically excited dark state which could potentially quench the initially photoexcited state, while in the case of cationic form the lowest excited lying dark state is outside the energy region of interest and cannot explain its quenching. Due to similarities in the relaxation dynamics of the two molecules, it is suggested that the electronically excited dark state may not play such an important role in the quenching process of this dye as previously proposed. Experimental evidence presented suggests that a quenching mechanism is active on the picosecond timescale for both forms of Rhodamine B.     

Evolution of pores in mesoporous silica films: Porogen loading effect

Mesoporous silica films were synthesized via a sol-gel process under an acidic condition. Various amounts of triblock copolymer F38 were loaded to precursor sols as the pore generator. The evolution of the pores generated by porogen decomposition was investigated as a function of F38 loading by positron annihilation gamma-ray energy spectroscopy and positron annihilation lifetime spectroscopy based on slow positron beams. The threshold of pore percolation is found to be around 10 wt% of F38 loading by positron annihilation gamma-ray energy spectroscopy. Positron annihilation lifetime spectroscopy in the films show that the pore size increases from 1 nm to 3 nm with increasing F38 loading from 5 wt% to 30 wt%.