Raman study of orbital mediated multiphonons in RMnO3 (R = Pr,Sm,Eu,Tb,Y)

We have studied RMnO₃ manganites (R = Pr, Sm, Eu, Tb, Y) Raman excitations in the 200–2800 cm^-1 range as a function of temperature. Combinations of phonon energies are observed up to the fourth order, indicating the presence of electron-phonon coupling. In comparison to Γ-point phonon combinations, double phonon excitations appear to be blue shifted in large size rare earth ion compounds. The phonon combination intensities decrease rapidly with their increasing order, confirming other studies which conclude that the electron-phonon coupling is not as strong as supposed in the localized limit. Moreover, different intensity order dependences are observed between the phonon combination and the so-called Jahn-Teller mode. These effects are better described in the orbiton-phonon coupling scheme.     

Nearby source interpretation of differences among light and medium composition spectra in cosmic rays

Recently the AMS-02 reported the precise measurements of the energy spectra of medium-mass compositions (Neon, Magnesium, Silicon) of primary cosmic rays, which reveal different properties from those of light compositions (Helium, Carbon, Oxygen). Here we propose a nearby source scenario, together with the background source contribution, to explain the newly measured spectra of cosmic ray Ne, Mg, Si, and particularly their differences from that of He, C, O. Their differences at high energies can be naturally accounted for by the element abundance of the nearby source. Specifically, the abundance ratio of the nearby source to the background of the Ne, Mg, Si elements is lower by a factor of ∼ 1.7 than that of the He, C, O elements. Such a difference could be due to the abundance difference of the stellar evolution of the progenitor star or the acceleration process/environment, of the nearby source. This scenario can simultaneously explain the high-energy spectral softening features of cosmic ray spectra revealed recently by CREAM/NUCLEON/DAMPE, as well as the energy-dependent behaviors of the large-scale anisotropies. It is predicted that the dipole anisotropy amplitudes below PeV energies of the Ne, Mg, Si group are smaller than that of the He, C, O group, which can be tested with future measurements.     

Multi-Class Cost-Constrained Random Coding for Correlated Sources over the Multiple-Access Channel

This paper studies a generalized version of multi-class cost-constrained random-coding ensemble with multiple auxiliary costs for the transmission of N correlated sources over an N-user multiple-access channel. For each user, the set of messages is partitioned into classes and codebooks are generated according to a distribution depending on the class index of the source message and under the constraint that the codewords satisfy a set of cost functions. Proper choices of the cost functions recover different coding schemes including message-dependent and message-independent versions of independent and identically distributed, independent conditionally distributed, constant-composition and conditional constant composition ensembles. The transmissibility region of the scheme is related to the Cover-El Gamal-Salehi region. A related family of correlated-source Gallager source exponent functions is also studied. The achievable exponents are compared for correlated and independent sources, both numerically and analytically.     

Secure Polar Coding for the Primitive Relay Wiretap Channel

With the emergence of wireless networks, cooperation for secrecy is recognized as an attractive way to establish secure communications. Departing from cryptographic techniques, secrecy can be provided by exploiting the wireless channel characteristics; that is, some error-correcting codes besides reliability have been shown to achieve information-theoretic security. In this paper, we propose a polar-coding-based technique for the primitive relay wiretap channel and show that this technique is suitable to provide information-theoretic security. Specifically, we integrate at the relay an additional functionality, which allows it to smartly decide whether it will cooperate or not based on the decoding detector result. In the case of cooperation, the relay operates in a decode-and-forward mode and assists the communication by transmitting a complementary message to the destination in order to correctly decode the initial source’s message. Otherwise, the communication is completed with direct transmission from source to the destination. Finally, we first prove that the proposed encoding scheme achieves weak secrecy, then, in order to overcome the obstacle of misaligned bits, we implement a double-chaining construction, which achieves strong secrecy.     

Determining Causal Skeletons with Information Theory

Modeling a causal association as arising from a communication process between cause and effect, simplifies the discovery of causal skeletons. The communication channels enabling these communication processes, are fully characterized by stochastic tensors, and therefore allow us to use linear algebra. This tensor-based approach reduces the dimensionality of the data needed to test for conditional independence, e.g., for systems comprising three variables, pair-wise determined tensors suffice to infer the causal skeleton. The only thing needed is a minor extension to information theory, namely the concept of path information.     

扑尔敏分子的密度泛函理论研究

马来酸氯苯那敏（chlorpheniramine maleate,CPM）,化学名为2-[对-氯-α-（二甲氨基）乙基丁苯基], 又名扑尔敏,分子式C20H23ClN2O4,本文采用密度泛函理论（density functional theory,DFT）,在M06-2X/6-311+g(d,p)水平上对扑尔敏分子的两种可能的结构进行了优化,优化结果显示分子基态结构具有C1对称性,分子由50个原子组成,共有144个简正自由度,所有的简正振动模式均具有拉曼活性。计算结果表明,吡啶环和苯环所在平面的二面角是92.1°,丁烯二酸和苯环所在平面的二面角是-174.5°。O40-H41和H41-N25键长分别为0.103nm、0.162nm,O40-H41-N25键角为175.29°,采用多功能波函数Multiwfn软件处理结果表明用于表征氢键强度的CVB指数（CVB指数越负,通常氢键越强。）为-0.2268,结果表明O40-H41-N25原子之间存在氢键,马来酸通过羧基上的氢原子和氯苯那敏吡啶环上的N原子通过氢键作用相结合;通过频率计算,获得了扑尔敏分子的拉曼光谱,并利用势能函数分布（PED）对拉曼光谱进行了指认,对谱图信息比较丰富的200-1800cm-1波段进行了分析归属;此外分析并讨论了扑尔敏分子的前线轨道,扑尔敏分子的最高占据轨道HOMO和最低未占据分子轨道LUMO轨道能量分别为-7.95ev、-1.05ev,能级差为6.90ev。为扑尔敏分子的光谱测定和电子结构分析提供了理论基础。     

Spatial-dependent probe transmission based high-precision two-dimensional atomic localization

Herein, we propose a scheme for the realization of two-dimensional atomic localization in aλ-type three-level atomic medium such that the atom interacts with the two orthogonal standing-wave fields and a probe field. Because of the spatially dependent atom-field interaction, the information about the position of the atom can be obtained by monitoring the probe transmission spectra of the weak probe field for the first time. A single and double sharp localized peaks are observed in the one-wavelength domain. We have theoretically archived high-resolution and high-precision atomic localization within a region smaller thanλ/25×λ/25. The results may have potential applications in the field of nano-lithography and advance laser cooling technology.     

环形磁场金属等离子体源冷却流场的数值模拟与优化

环形磁场金属等离子体源作为一种全新的等离子体源结构,可用于产生高度离化、无大颗粒、高密度的离子束流,但传统流道结构不能保证其高效、均匀散热,大功率工作时可能引起密封胶圈的烧蚀失效,需对其冷却流场进行优化设计.利用Solidworks Flow Simulation软件对等离子体源冷却流道进行模拟,分析出入水孔分布角度、孔数、孔径以及入水孔高度对冷却效果的影响规律,并对流道结构参数进行优化.结果表明,增大水孔的周向分布范围,有利于提高散热的均匀性;入水孔设置在结构上层有利于减少冷却水的温度分层现象,使铜套和密封胶圈都处于较好的冷却状态;适当减小孔径有利于增大冷却水射流速度,增大湍流程度强化传热,提高换热效率.优化后的流场结构可以提高冷却水的利用率,在相同流量条件下获得更好的冷却效果,改善等离子体源的放电稳定性,为环形磁场金属等离子体源的冷却结构设计提供理论依据.     

ChemInform Abstract: A Matrix Isolation and Computational Study of Molecular Palladium Fluorides: Does PdF6 Exist?

Binary palladium fluorides from PdF to PdF₆ are investigated by matrix‐isolation methods using thermal evaporation and laser ablation to generate Pd atoms for reaction with F₂‐doped Ar and Ne matrices as well as neat F₂ matrices.     

ChemInform Abstract: Investigation of Praseodymium Fluorides: A Combined Matrix‐Isolation and Quantum‐Chemical Study.

Reaction products of laser‐ablated praseodymium atoms with fluorine in excess neon, argon, krypton, or neat fluorine at 4—10 K are investigated by IR spectroscopy and quantum chemical DFT and coupled‐cluster calculations.