Effective method for measuring the energy of propagating brush discharges

Due to their very high energy propagating brush discharges are the most dangerous electrostatic discharges. As it is known, they usually occur on thick insulating layers on which significant charge can be accumulated. Discharge energy is a function of several parameters, like the surface charge density (influenced by the thickness of the layer and its relative permittivity), the size of the charged surface, etc. This paper represents a laboratory model to examine the energy of propagating brush discharges. Based on these measurements list of results were evaluated to estimate the energy of the generated propagating brush discharges. This energy is especially important to determine how incentive these discharges are. By the help of the model the effect of the polarity of the original charging, the surface charge density of the sample and the geometry of the sample have been examined.     

Li掺杂少层MoS2的电荷分布及与石墨和氮化硼片的比较

基于第一性原理计算, 研究了Li掺杂的少层(1-3层) MoS₂的电荷分布, 并与石墨片和BN片的电荷分布特征进行了比较. 与石墨片和BN片相同的是: 电荷转移的大部分只发生在Li与最靠近Li的第一层MoS₂之间. 然而, 第二层和第三层MoS₂也能获得10%的转移电荷, 而石墨片和BN片的第二层和第三层得不到2%的电荷. 结合静电能和功函数的分析可知, MoS₂、石墨片和BN片的电荷分布主要由层间的静电相互作用和功函数来决定. 这些研究结果对于揭示具有多层结构的电荷分布特征及其电子器件的设计提供了理论支持.     

单束激光脉冲俘获及放大机理的理论分析与数值模拟研究

本文提出用固体靶前放置薄膜靶来实现激光场放大的新方案, 研究了针对单束激光脉冲条件的俘获及放大机理. 理论模型与数值模拟均表明入射激光能量可以部分地以驻波形式驻留在靶间区域并得到有效放大. 研究表明在入射激光光压、俘获激光光压和电荷分离场的共同作用下, 薄膜靶电子层压缩和膨胀是能量积累存在反复振荡过程的直接原因, 经过振荡后激光脉冲得到稳定俘获.     

Diffusion Limitations and Translocation Barriers in Atomically Thin Biomimetic Pores

Ionic transport in nano- to sub-nano-scale pores is highly dependent on translocation barriers and potential wells. These features in the free-energy landscape are primarily the result of ion dehydration and electrostatic interactions. For pores in atomically thin membranes, such as graphene, other factors come into play. Ion dynamics both inside and outside the geometric volume of the pore can be critical in determining the transport properties of the channel due to several commensurate length scales, such as the effective membrane thickness, radii of the first and the second hydration layers, pore radius, and Debye length. In particular, for biomimetic pores, such as the graphene crown ether we examine here, there are regimes where transport is highly sensitive to the pore size due to the interplay of dehydration and interaction with pore charge. Picometer changes in the size, e.g., due to a minute strain, can lead to a large change in conductance. Outside of these regimes, the small pore size itself gives a large resistance, even when electrostatic factors and dehydration compensate each other to give a relatively flat—e.g., near barrierless—free energy landscape. The permeability, though, can still be large and ions will translocate rapidly after they arrive within the capture radius of the pore. This, in turn, leads to diffusion and drift effects dominating the conductance. The current thus plateaus and becomes effectively independent of pore-free energy characteristics. Measurement of this effect will give an estimate of the magnitude of kinetically limiting features, and experimentally constrain the local electromechanical conditions.     

Generating monoenergetic heavy-ion bunches with laser-induced electrostatic shocks

A method for efficient laser acceleration of heavy ions by electrostatic shock is investigated using particle-in-cell (PIC) simulation and analytical modeling. When a small number of heavy ions are mixed with light ions, the heavy ions can be accelerated to the same velocity as the light ions so that they gain much higher energy because of their large mass. Accordingly, a sandwich target design with a thin compound ion layer between two light-ion layers and a micro-structured target design are proposed for obtaining monoenergetic heavy-ion beams.     

盐离子对蛋白质带电特性的影响

本文应用分子理论,研究盐离子对蛋白质带电特性的影响,理论模型考虑蛋白质与阴离子的结合作用。研究发现,由于蛋白质与阴离子的结合,距离蛋白质表面附近处的阴离子被吸附在了蛋白质表面,在距离蛋白质表面附近区域,阴离子分布较少。通过计算体系中的静电势,我们发现,在距离蛋白质表面附近,静电势呈现了较大的负值,带正电荷的阳离子感受到静电吸引,会出现在距离蛋白质表面附近的区域,这会使得在距离蛋白质表面附近的区域,阳离子数目增多。这样,在不同阴离子浓度、以及阴离子与蛋白质不同结合能条件下,阴离子会在不同程度上影响蛋白质的带电特性、影响体系中的静电特性。通过考察不同结合能条件下,蛋白质表面电荷面密度随阴离子浓度的变化关系还发现,较大的结合能会使得阴离子与蛋白质结合增快,蛋白质表面会呈现从正电荷态向负电荷态的转变。理论结果符合实验观测,由此表明,盐离子与蛋白质的结合导致蛋白质表面带电特性的改变,是盐离子影响蛋白质带电特性的本质。     

Formation of fast multicharged heavy ions under the action of a superintense femtosecond laser pulse on the cleaned surface of a target

It is found that the mean charge of tungsten ions in a solid tungsten target cleaned from the surface layer of hydrocarbon and oxide compounds and exposed to femtosecond laser radiation with an intensity exceeding 10¹⁶ W/cm² attains 22+, while the maximum charge is 29+. The maximum energy of such ions approaches 1 MeV. The corresponding values obtained on a dirty target with the same laser pulse parameters constitute 3+, 5+, and 150 keV. The results of numerical simulation show that such a large maximum charge of ions can be attained owing to the emergence of an electrostatic ambipolar field at the sharp boundary between the plasma and vacuum. The main mechanism of ionization of ions with maximum charges is apparently impact ionization in the presence of an external quasi-static field. In addition, direct above-threshold ionization by this field can also play a significant role. It is also shown that heavy ions in a clean target are accelerated by hot electrons. This leads to the formation of high-energy ions. The effect of recombination on the charge of the ions being detected is analyzed in detail.     

Electrostatic Potential Anomaly in 2D Janus Transition Metal Dichalcogenides

Symmetry breaking induced exotic physical properties is an eternal topic in scientific community. Due to lack of mirror symmetry, 2D Janus transition metal dichalcogenides (TMDs) exhibit many bizarre features; however, the physical mechanisms of most of these intrinsic properties are still unclear. Herein, a generalized and effective approach is developed to disclose the physical mechanism of electrostatic potential anomaly in 2D Janus TMDs, based on fast Fourier transform and Moore–Penrose generalized inverse matrix for separating Hartree potential and ionic potential from electrostatic potential, and conversely, calculating charge density distribution through Hartree potential. Through extensive numerical simulations and theoretical analyses, the electrostatic potential anomaly is expounded successfully, which is a pending issue in 2D Janus TMDs: the electrostatic potential energy at Se atomic layer is larger than that at S and Te atomic layers, which breaks the periodic law. Such an anomaly could be attributed to the competition between Hartree potential energy and ionic potential energy that emerges as a result of asymmetric charge transfer, atomic layer distance, and atomic species. This approach possesses universality, and is proved to be a robust method in dealing with the issues related to electrostatic potential.     

高电荷态离子引起的富勒烯离子的碎裂

离子在与富勒烯的相互作用过程中会导致C60分子的激发。处于低激发态的C60r+离子通过发射中性C2分子或带电的轻团簇碎片Cn+等非对称碎裂方式来耗散激发能,但如果激发能很高,笼形的C60r+离子可能会彻底崩溃,而发生多重碎裂。C60r+离子的碎裂过程与其电荷态r及分裂势垒密切相关。低电荷态的C60r+(r≤3)离子蒸发一个C2分子需要克服10.3 eV左右的势垒。随着电荷态的升高,发射带电的Cn+会变得越来越容易,并逐渐过渡到多重碎裂过程。另一方面,C60r+离子的碎裂机制还与激发方式有关,在直接正碰过程中,将C60分子当作固体薄靶来处理,通过分析不同价态的C60r+离子的碎片谱,发现母核的初始电荷态决定碎裂方式,由此获得一个可以表征激发能大小的可观测量——发射电子个数。     

高电荷态离子引起的富勒烯离子的碎裂

离子在与富勒烯的相互作用过程中会导致C60分子的激发。处于低激发态的C60r 离子通过发射中性C2分子或带电的轻团簇碎片Cn 等非对称碎裂方式来耗散激发能,但如果激发能很高,笼形的C60r 离子可能会彻底崩溃,而发生多重碎裂。C60r 离子的碎裂过程与其电荷态r及分裂势垒密切相关。低电荷态的C60r (r≤3)离子蒸发一个C2分子需要克服10.3 eV左右的势垒。随着电荷态的升高,发射带电的Cn 会变得越来越容易,并逐渐过渡到多重碎裂过程。另一方面,C60r 离子的碎裂机制还与激发方式有关,在直接正碰过程中,将C60分子当作固体薄靶来处理,通过分析不同价态的C60r 离子的碎片谱,发现母核的初始电荷态决定碎裂方式,由此获得一个可以表征激发能大小的可观测量——发射电子个数。     

Average kinetic energy of ions ejected from pure Coulomb explosions of methane clusters

We use an electrostatic model to study the average kinetic energy of ions ejected from the pure Coulomb explosions of methane clusters (CA4)n (light atom A=H and D). It is found that the ratio of the average kinetic energy of the ions to their initial average electrostatic potential energy is irrelevant to the cluster size. This finding implies that as long as the ratio is given, the average kinetic energies of the ions can be simply estimated from their initial average electrostatic potential energies, rather than from the time- consuming simulations. The ratios for the different charge states of carbon ions are presented.     

Energy distribution of metal and noble gas ions traversing single-crystal copper films

A comparative investigation of the energy distribution of ions that traversed single-crystal cooper films reveals that the energy loss of channeled and nonchanneled particles depends not only on the mass but also on the radius of bombarding ions. It is established that the energy spectra of transmitted ions are highly sensitive to a change in the composition and structure of the films. From the change in these spectra, one can estimate the degree of disordering in thin films under various applied forces.     

Large amplitude ion-acoustic double layers in a plasma havingvariable-charge dust grain particles

The dust grain charging effect on large amplitude ion-acoustic double layers in a dusty plasma are investigated by the numerical calculation. The nonlinear structures of ion-acoustic double layers are examined, showing that the characteristics of the double layer sensitively depend on the dust charging effect, the influence of the ion temperature, the electrostatic potential, and the Mach number. The flow of the plasma current to the surface of dust particles increases the dust charge numbers. The effect of the ion temperature decreases the propagation speed of the ion-acoustic double layers and decreases the dust charge numbers. It is found that rarefactive double layers can propagate in this system. New findings of large amplitude ion-acoustic double layers with the dust charging effect and finite ion temperature in a dusty plasma are predicted     

Kinetics and mechanism of proton transport across membrane nanopores

We use computer simulations to study the kinetics and mechanism of proton passage through a narrow-pore carbon-nanotube membrane separating reservoirs of liquid water. Free energy and rate constant calculations show that protons move across the membrane diffusively along single-file chains of hydrogen-bonded water molecules. Proton passage through the membrane is opposed by a high barrier in the effective potential, reflecting the large electrostatic penalty for desolvation and reminiscent of charge exclusion in biological water channels. At neutral pH, we estimate a translocation rate of about 1 proton per hour and tube.     

A new constituent of electrostatic energy in semiconductors

The concept of electric energy is revisited in detail for semiconductors. We come to the conclusion that the main relationship used to calculate the energy related to the penetration of the electric field in semiconductors is missing a fundamental term. For instance, spatial derivate of the electrostatic energy using the traditional formula fails at giving the correct electrostatic force between semiconductor based capacitor plates, and reveals unambiguously the existence of an extra contribution to the standard electrostatic free energy. The additional term is found to be related to the generation of space charge regions which are predicted when combining electrostatics with semiconductor physics laws, such as for accumulation and inversion layers. On the contrary, no such energy is needed when relying on electrostatics only, as for instance when adopting the so-called full depletion approximation. The same holds for neutral and charged insulators that are still consistent with the customary definition, but these two examples are in fact singular cases. In semiconductors for instance, this additional energy can largely exceed the energy gained by the dipoles, thus becoming the dominant term. This unexpected result clearly asks for a generalization of electrostatic energy in matter in order to reconcile basic concepts of electrostatic energy in the framework of classical physics.     

静电势能模型对类水滑石结构与性能的理论研究

采用晶体学理论建立类水滑石静电势能模型,对由20层且每层2107个阴离子组成的镁铝类水滑石超分子体系中层间阴离子所受的静电势能进行理论计算．研究结果表明,调变层板金属离子摩尔比影响层板电荷密度与层间阴离子间距,计算得到的阴离子静电势能值与其热稳定性相一致:插层阴离子的电荷与尺寸不同直接影响阴离子的势能大小．     

Surprising electronic-magnetic properties of closed packed organized organic layers

Cooperative effects generate new electronic and magnetic properties in closed packed organized organic layers. In layers made from chiral molecules, unexpectedly large electronic dichroism is observed, which manifests itself as spin specific electron transmission. For many thiolated molecules self-assembled on gold, a surprisingly large ferromagnetism is observed. All the observations can be rationalized by assuming orbital ferromagnetism of the organic thin layer. This is a new type of magnetism that is caused by the formation of closed packed layers of organic molecules on metal. In particular, charge transfer occurs between the substrate and the adsorbed layer. This charge is responsible for the appearance of magnetism.     

Formation of Suprathermal Particle Fluxes in a Strongly Turbulent Plasma

We consider the problem on the formation of suprathermal particle fluxes by electrostatic structures in strongly turbulent cosmic plasmas. It is shown that regions with a strong plasma turbulence can be large accelerators of charged particles. We give solutions of the stationary kinetic equation in a turbulent layer for different acceleration regimes and estimate the efficiency of diffusion over the longitudinal and transverse velocities of particles with respect to the magnetic field. The transverse diffusion in velocity space is more efficient for ions and leads to strong isotropization of ion fluxes. Electrons move almost along the magnetic field. We reveal the conditions under which the regular force in a nonuniform magnetic field influences the stochastic-acceleration process. The average energy of axial motion of the particles and the particle fluxes at large distances from the injection region are estimated. Ions and electrons can be accelerated up to comparable energies. We analyze the characteristic features of the motion of the relativistic-particle beams. It is shown that strong plasma turbulence can form particle beams with specific energies. The proposed mechanism is useful for explanation of the properties of energetic particles in cosmic plasmas with magnetic-field-aligned currents, e.g., in high-latitude regions of planetary magnetospheres, force-free configurations of the solar corona, and the solar wind.     

Chromium(III) complexes as intermolecular probes

Metal ion complexes provide flexible paramagnetic centers that may be used to define intermolecular contacts in a variety of solution phase environments because both the charge and electronic relaxation properties of the complex may be varied. For most complex ions, there are several proton equilibria that may change the effective charge on the complex as a function of pH which in turn affects the efficacy of application for defining the electrostatic surfaces of co-solute molecules. We report here spectrophotometric and nuclear spin relaxation studies on aqueous solutions of chromium(III) complexes of EDTA, DTPA, and bis-amides of both. The effective charges available from these paramagnetic centers range from -3 to +1 and we report the pH ranges over which the effective charge is defined with confidence for application in magnetic relaxation experiments.