Role of polarization and alignment in photoactuation of nematic elastomers

Changing the orientational order in liquid-crystal elastomers leads to internal stresses and changes of the sample shape. When this effect is induced by light, due to photoisomerization of constituent molecular moieties, the photomechanical actuation results. We investigate quantitatively how the intensity and the polarization of light affect photoactuation. By studying dissolved, as well as covalently bonded azo-dyes, we determine the changes in absorption and the response kinetics. For the first time we compare the response of aligned monodomain, and randomly disordered polydomain nematic elastomers, and demonstrate that both have a comparable photoresponse, strongly dependent on the polarization of light. Polarization-dependent photoactuation in polydomain elastomers gives an unambiguous proof of its mechanism since it is the only experiment that distinguishes from the associated thermal effects.     

Non-classical correlation of the two emission fields by a four-level atomic ensemble

The normalized second-order correlation of the emission fields from a driven four-level atomic ensemble is investigated theoretically by using the state vector method. The violation of Cauchy-Schwarz inequality, which indicates the establishment of non-classical correlation between two emission fields, has been found. The effects of various decays and time delay on the correlation are discussed in detail, which are helpful in finding the ways to obtain high non-classical correlation. This technique for the generation of non-classical light is operable based on the current experimental technology and will lead to some potential applications in quantum information science.     

Femtosecond laser pulse train effect on Doppler profile of cesium resonance lines

We present direct observation of the velocity-selective optical pumping of the Cs ground state hyperfine levels induced by the femtosecond (fs) laser oscillator centered at either D2 (6 ²S_1/2↦6 ²P_3/2, 852 nm) or D1 (6 P_1/2, 894 nm) cesium line. We utilized previously developed modified direct frequency comb spectroscopy (DFCS) which uses a fixed frequency comb for the excitation and a weak cw scanning probe laser centered at the ¹³³Cs 6 ²S_1/2↦6 ²P_3/2 transition (D2 line) for ground levels population monitoring. The frequency comb excitation changes the usual Doppler absorption profile into a specific periodic, comblike structure. The mechanism of the velocity selective population transfer between the Cs ground state hyperfine levels induced by fs pulse train excitation is verified in a theoretical treatment of the multilevel atomic system subjected to a pulse train resonant field interaction.     

Exploring artificial neural networks to model interatomic and intermolecular potential energy surfaces

We demonstrate how a back-propagation artificial neural network can be trained to represent a potential energy surface (PES) in a formless manner with limited data points and exploited to predict interaction energies for configurations not included in the training set. A similar exercise is undertaken for predicting the eigenvalues and eigenvectors of a model Hamiltonian matrix that delicately depends on parameters and exhibits crossing of eigen values.     

Generation and Identification of the Linear OCBNO and OBNCO Molecules with 24 Valence Electrons

Two structural isomers containing five second-row element atoms with 24 valence electrons were generated and identified by matrix-isolation IR spectroscopy and quantum chemical calculations. The OCBNO complex, which is produced by the reaction of boron atoms with mixtures of carbon monoxide and nitric oxide in solid neon, rearranges to the more stable OBNCO isomer on UV excitation. Bonding analysis indicates that the OCBNO complex is best described by the bonding interactions between a triplet-state boron cation with an electron configuration of (2s)⁰(2p_σ)⁰(2p_π)² and the CO/NO⁻ ligands in the triplet state forming two degenerate electron-sharing π bonds and two ligand-to-boron dative σ bonds.     

Matrix Isolation Spectroscopic and Relativistic Quantum Chemical Study of Molecular Platinum Fluorides PtFn (n=1–6) Reveals Magnetic Bistability of PtF4

Molecular platinum fluorides PtF_n, n=1–6, are prepared by two different routes, photo-initiated fluorine elimination from PtF₆ embedded in solid noble-gas matrices, and the reaction of elemental fluorine with laser-ablated platinum atoms. IR spectra of the reaction products isolated in rare-gas matrices under cryogenic conditions provide, for the first time, experimental vibrational frequencies of molecular PtF₃, PtF₄ and PtF₅. Photolysis of PtF₆ enabled a highly efficient and almost quantitative formation of molecular PtF₄, whereas both PtF₅ and PtF₃ were formed simultaneously by subsequent UV irradiation of PtF₄. The vibrational spectra of these molecular platinum fluorides were assigned with the help of one- and two-component quasirelativistic DFT computation to account for scalar relativistic and spin–orbit coupling effects. Competing Jahn-Teller and spin–orbit coupling effects result in a magnetic bistability of PtF₄, for which a spin-triplet (³B_2g, D_2h) coexists with an electronic singlet state (¹A_1g, D_4h) in solid neon matrices.     

石墨烯能带中的重叠矩阵效应:Tight-Binding方法在模拟中的研究

采用紧束缚方法计算了石墨烯的价带(π)和导带(π*),考虑了非正交基矢下重叠矩阵效应,重叠积分参量s越小,导带越靠近费米面,而价带越远离费米面.在重叠积分参量s≤0.1时,基本保持了原子在实际空间中重叠所引起的能带的改变,太大(s=0.4)则会导致物理上失效.计算了石墨烯的能态密度,在费米面ε=0处(对应Dirac点)的能态密度为零,并且在Dirac点附近呈线性变化.     

二能级原子自发辐射过程中的Wigner-Yanse偏振信息

研究了单个二能级原子自发辐射过程中原子和光场的Wigner-Yanse信息的变化情况. 分别计算了原子和辐射场的Wigner-Yanse信息. 结果表明：原子和光场的Wigner-Yanse信息都依赖于的平均值 , 并且当原子处于基态时, 光场的Wigner-Yanse信息达到最大值. 此外, 还发现原子与光场并不是同步地达到最大混合态.     

基于Flowmaster的飞机燃油供油系统仿真研究

飞机燃油系统作为飞机不可或缺的功能和保障系统,对飞机的安全性有着重大的影响。针对飞机燃油供油系统的故障诊断问题,利用流体仿真软件Flowmaster建立了供油系统模型。仿真了飞机燃油系统增压泵供油、交输供油、重力供油的工作情况。分析了飞机燃油供油系统的故障模式,仿真了在几种典型故障模型下的工作情况,并对仿真结果进行了分析。结果表明利用Flowmaster所建立的供油系统模型能有效地仿真飞机燃油系统正常与故障工作情况,为飞机燃油系统的故障诊断打下了基础。