24 resultados para atom-solid interactions

em Chinese Academy of Sciences Institutional Repositories Grid Portal


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The characteristics of K alpha X-ray sources generated by p-polarized femtosecond laser-solid interactions are experimentally studied in the relativistic regime. By use of knife-edge image technique and a single-photon-counting X-ray CCD camera, we obtaine the source size, the spectrum and the conversion efficiency of the Ka X-ray sources. The experimental results show that the conversion efficiency of Ka photons reaches an optimum value of 7.08 x 10(-6)/sr at the laser intensity of 1.6 x 10(18) W/cm(2), which is different from the Reich's simulation results (Reich et al., 2000 Phys. Rev. Lett. 84 4846). We find that about 10% of laser energy is converted into the forward hot electrons at the laser intensity of 1.6 x 10(18) W/cm(2).

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To evaluate the interactions between the atoms of An, Ag and Cu and clean Si(111) surface, two types of silicon clusters Si4H7 and Si16H20 together with their metal complexes were studied by using hybrid (U)B3LYP density functional theory method. Optimized geometries and energies on different adsorption sites indicate that: (1) the binding energies at different adsorption sites are large (ranging from similar to 1.2 to 2.6 eV depend on the metal atoms and adsorption sites), suggesting a strong interaction between metal atom and silicon surface; (2) the most favorable adsorption site is the on top (T) site. Mulliken population analysis indicated that in the system of on top (T) site, a covalent bond is formed between metal atom and dangling bond of surface Si atom. (c) 2006 Elsevier B.V. All rights reserved.

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本文主要运用稳定加液-反应系统对海水中方解石和文石形成时稀土元素的共沉淀现象进行了分析,研究了稀土元素在固-液体系中的迁移、转化和分配。进而在对其定量描述的前提下,研究了稀土元素共沉淀对各种反应条件的响应,并对共沉淀行为的机制进行了探讨。 本实验首先运用pH测试、高精度滴定分析等手段测定了实验中的一些基本参数,如[H+]、碱度和[Ca2+],根据计算结果获得了各碳酸体系要素,并以此为基础建立了5℃、15℃和25℃及pCO2=0.003atm下海水中方解石或文石的沉淀动力学方程。实验结果表明: 1)在各条件下,方解石或文石的沉淀速率(R)和其在海水中过饱和度(Ω)存在很好的线性相关性,即海相碳酸盐的沉淀动力学方程可以通过下面的基本表达式来表示:LogR=k*Log(Ω-1)+b ; 2)过高的稀土元素浓度会对文石或方解石的沉淀产生抑制作用,进而对共沉淀过程中YREEs的分异和分馏产生一定的影响。相比方解石而言,文石的沉淀动力学过程承受稀土元素的干扰能力更强; 3)不同温度下得到的方解石或文石各自的沉淀动力学方程存在明显的差异,表明这一过程受热力学因素控制。相对于方解石而言,温度对文石的沉淀动力学的影响更为显著。 与前人研究不同的是,本实验中YREEs的浓度设定在非常低的范围内,从而避免了过高浓度YREEs对方解石或文石沉淀动力学过程的干扰。在最终的反应液中,各种实验条件非常接近自然环境。有关稀土元素的共沉淀行为主要得出以下定性或定量化结论: 1)YREEs在随方解石或文石的共沉淀过程中,均发生了强烈的分异作用。在方解石实验中,稀土元素的分异系数分布曲线呈凸状分布;而在文石实验中,稀土元素的分异系数随原子序数的增加逐渐减小,遵循镧系收缩的规律。总的来说,稀土元素,尤其轻稀土元素在文石中的分异作用要强于方解石。 2)无论是方解石还是文石,沉淀速率对YREEs的分异作用都有着明显的影响。在方解石中,YREEs的分异系数随沉淀速率的增加呈一致性递减趋势;而在文石中,其分异系数对文石沉淀速率有着截然不同的响应:轻稀土元素(La, Ce, Nd, Sm, Eu, Gd)的分异系数随文石沉淀速率的增加而下降,而重稀土元素(Ho, Y, Tm, Yb , Lu)的分异系数则随文石沉淀速率的增加呈上升趋势。 3)在方解石中YREEs的分异系数之间存在非常好的相互关系,表明这些元素是以成比例的方式参与共沉淀。整个谱系呈现中等强度的分馏,MREE相对于LREE和HREE要更为富集;在文石中由于沉淀速率的作用不同,只有Y、Ho、Yb、Lu等元素的分异系数之间有较好的相互关系。YREEs出现了差异性的强烈分馏,在新生成沉淀中轻稀土元素相对于重稀土元素强烈富集。 4)YREEs在溶液中和碳酸盐晶体表面的碳酸根配位形式对YREEs在共沉淀过程中的分异作用极为重要,YREEs在碳酸盐晶体表面的吸附是整个谱系发生分馏效应的关键环节。对于文石来讲,晶体中有效YREE离子和Ca离子半价大小之间的相近程度是其分馏效应的关键因素;而对于方解石来说,YREEs在方解石晶格中的安置就是其分馏效应的关键控制因子,但在晶格安置中起到关键作用的是YREEs和方解石中O原子之间离子键M-O的键长,而非离子半径。 5)综合YREEs在方解石中的分异作用和分馏效应,我们认为M2(CO3)3-CaCO3和MNa(CO3)2-CaCO3是最为可能的两种固体溶液形成模式。 最为重要的是,对比我们的实验结果与前人在灰岩、叠层石、微生物成因碳酸盐等方解石质载体中的研究成果,两者之间出现了非常好的一致性。我们认为方解石质载体将是重建古海水中稀土元素相关信息的重要工具。相比之下,文石质载体不适合作为类似的载体。

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The complete proof of the virial theorem in refined Thomas-Fermi-Dirac theory for all electrons of an atom in a solid is given.

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Liu Qingquan, Singh V.P

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The relation between the inner pressure of an atom in a solid and the density of energy of electrons under Refined TFD theory is given.

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When a shock wave interacts with a group of solid spheres, non-linear aerodynamic behaviors come into effect. The complicated wave reflections such as the Mach reflection occur in. the wave propagation process. The wave interactions with vortices behind each sphere's wake cause fluctuation in the pressure profiles of shock waves. This paper reports an experimental study for the aerodynamic processes involved in the interaction between shock waves and solid spheres. A schlieren photography was applied to visualize the various shock waves passing through solid spheres. Pressure measurements were performed along different downstream positions. The experiments were conducted in both rectangular and circular shock tubes. The data with respect to the effect of the sphere array, size, interval distance, incident Mach number, etc., on the shock wave attenuation were obtained.

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Thoroughly understanding AFM tip-surface interactions is crucial for many experimental studies and applications. It is important to realize that despite its simple appearance, the system of tip and sample surface involves multiscale interactions. In fact, the system is governed by a combination of molecular force (like the van der Waals force), its macroscopic representations (such as surface force) and gravitational force (a macroscopic force). Hence, in the system, various length scales are operative, from sub-nanoscale (at the molecular level) to the macroscopic scale. By integrating molecular forces into continuum equations, we performed a multiscale analysis and revealed the nonlocality effect between a tip and a rough solid surface and the mechanism governing liquid surface deformation and jumping. The results have several significant implications for practical applications. For instance, nonlocality may affect the measurement accuracy of surface morphology. At the critical state of liquid surface jump, the ratio of the gap between a tip and a liquid dome (delta) over the dome height (y(o)) is approximately (n-4) (for a large tip), which depends on the power law exponent n of the molecular interaction energy. These findings demonstrate that the multiscale analysis is not only useful but also necessary in the understanding of practical phenomena involving molecular forces. (c) 2007 Elsevier Ltd. All rights reserved.

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An analytical fluid model is proposed for the generation of strong quasistatic magnetic fields during normal incidence of a short ultraintense Gaussian laser pulse with a finite spot size on an overdense plasma. The steepening of the electron density profile in the originally homogeneous overdense plasma and the formation of electron cavitation as the electrons are pushed inward by the laser are included self-consistently. It is shown that the appearance of the cavitation plays an important role in the generation of quasistatic magnetic fields: the strong plasma inhomogeneities caused by the formation of the electron cavitation lead to the generation of a strong axial quasistatic magnetic field B-z. In the overdense regime, the generated quasistatic magnetic field increases with increasing laser intensity, while it decreases with increasing plasma density. It is also found that, in a moderately overdense plasma, highly intense laser pulses can generate magnetic fields similar to 100 MG and greater due to the transverse linear mode conversion process.

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A simple, but important three-atom model was proposed at the solid/liquid interface, leading to a new criterion number, lambda, governing the boundary conditions (BCs) in nanoscale. The solid wall is considered as the face-centered-cubic (fcc) structure. The fluid is the liquid argon with the well-known LJ potential. Based on the concept, the two micro-systems have the same BCs if they have The same criterion number. The degree of the locking BCs is enhanced when lambda equals to 0.757. Such critical criterion number results in the substantial epitaxial ordering and one, two, or even three liquid layers are locked by the solid wall, depending on the coupling energy scale ratio of the solid and liquid atoms. With deviation from the critical criterion number, the flow approaches the slip BCs and there are little ordering structures within the liquid. Always at the same criterion number, the degree of the slip is decreased or the locking is enhanced with increasing the coupling energy scale ratio of the solid and liquid atoms. The above analysis is well confirmed by the molecular dynamics (MD) simulation. The slip length is well correlated in terms of the new criterion number. The future work is suggested to extend the present theory for other microstructures of the solid wall atoms and quasi-LJ potentials.

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The characteristics of proton beam generated in the interaction of an ultrashort laser pulse with a large prepulse with solid foils are experimentally investigated. It is found that the proton beam emitted from the rear surface is not well collimated, and a "ring-like" structure with some "burst-like" angular modulation is presented in the spatial distribution. The divergence of the proton beam reduces significantly when the laser intensity is decreased. The "burst-like" modulation gradually fades out for the thicker target. It is believed that the large divergence angle and the modulated ring structure are caused by the shock wave induced by the large laser prepulse. A one-dimensional hydrodynamic code, MED103, is used to simulate the behavior of the shock wave produced by the prepulse. The simulation indicates that the rear surface of the foil target is significantly modified by the shock wave, consequently resulting in the experimental observations. (c) 2006 American Institute of Physics.

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In order to expand the solid angle for imaging of electrons in ion-atom collisions, we designed a complex Helmholtz coils composed of four single coils. Theoretical simulations were carried out to optimize the arrangement of the coils. The complex is constructed according to the theoretical analysis, and the magnetic fields were measured for interested regions. The measured results show that the relative uniformity of the magnetic fields is +/- 0.6%, which satisfies the requirements of collision experiments.

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The radiolysis of cysteine under plasma discharge and irradiation of low-energy Ion beam was investigated. The damage of cysteine in aqueous solution under discharge was assessed via the acid ninhydrin reagent and the yield of cystine produced from the reaction was analyzed by FTIR In addition, the generation of hydrogen sulfide was also identified The destruction of solid cysteine under low-energy ion beam irradiation was estimated via monitoring IR bands of different functional groups (-SH, -NH3, -COO-) of cysteine. and the production of cystine from ion-irradiated solid cysteine after dissolution in water was also verified These results may help us to understand the inactivation of sulphydryl enzymes under direct and indirect interaction with the low-energy ion irradiation (C) 2010 Elsevier B V All rights reserved.

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Oligothiophenes (OThs) end-capped with 3-quinolyl or pyridyl with nitrogen atom at meta-, ortho- or para-position were synthesized. The single-crystal structures of the resulting molecules, i.e., o-PyTh4, m-PyTh4, p-PyTh4, QuTh2, and QuTh3, were successfully determined by single-crystal X-ray analysis. Pyridyl end-capped OThs; o-PyTh4, m-PyTh4, and p-PyTh4, adopt the different herringbone packing arrangement in crystals depending on the position of the nitrogen atom because of the presence of weak C-H center dot center dot center dot N hydrogen bonds. The p-PyTh4 molecules are linked each other along the long axis of the molecules to form the extended chains by C-H center dot center dot center dot N dimer synthon. For m-PyTh4, the C-H center dot center dot center dot N interactions two-dimensionally extend through C-H center dot center dot center dot N trimer synthon.