Dielectric evidence for possible type-Ⅱmultiferroicity in α-RuCl_3

正The Kitaev model in a honeycomb lattice,which has an exactly solvable spin liquid as the ground state[1],has attracted a lot of research interests.Recently,Kitaev-type interactions were discovered in several quasi-2D,honeycomb lattice compounds,such as A_2IrO_3(A=Li,Na)[2-7]and α-RuCl_3[8-15].In these compounds,both the spin-orbit coupling and electron correlations play an essential role in the emergent Mott insulator behaviors[2,16-19].Although the     

虹鳟腺苷酸转移酶基因2(ant2)cDNA克隆与蛋白结构分析

腺苷酸转移酶(ANT)是位于线粒体内膜上参与能量分子传导的转运蛋白,在细胞凋亡调控网络中发挥重要作用.以虹鳟鱼(Oncorhynchus mykiss)为研究材料,使用RT-PCR和RACE法分离和克隆了虹鳟鱼ant2基因cDNA的全长序列(GenBank登录号:FJ591153).该序列全长1276 bp,其中5'端非翻译区长66 bp,3'端非翻译区长316 bp,开放性阅读框长894 bp,编码297个氨基酸.该蛋白具有3个保守的线粒体穿膜功能结构域和3个转膜区.通过与其他脊椎动物腺苷酸转移酶蛋白序列的比较,发现该基因具有高度保守性,氨基酸序列的同源性均在90%左右.同源模建显示其与牛的线粒体ADP/ATP载体,chain A蛋白有相同的孔洞(cavity)结构.     

Thermal equation of state for lattice Boltzmann gases

The Galilean invariance and the induced thermo-hydrodynamics of the lattice Boltzmann Bhatnagar--Gross--Krook model are proposed together with their rigorous theoretical background. From the viewpoint of group invariance, recovering the Galilean invariance for the isothermal lattice Boltzmann Bhatnagar--Gross--Krook equation (LBGKE) induces a new natural thermal-dynamical system, which is compatible with the elementary statistical thermodynamics.     

Theoretical design study on multifunctional triphenyl amino‐based derivatives for OLEDs

The use of triphenyl amino‐based derivatives in organic light‐emitting diodes (OLEDs) can significantly improve their efficiency and stability and especially their electroluminescence characteristics – most of the new hole‐transport materials have this feature. In this study, a series of triphenyl amino‐based compounds were computed, including two newly designed molecules. They can function as charge transport materials and emitters with high efficiency and stability. To reveal the relationship between the properties and structures of these bifunctional and multifunctional electroluminescent materials, the ground and excited state geometries were optimized at the B3LYP/6‐31G(d), HF/6‐31G(d), TD‐B3LYP/6‐31G(d), and CIS/6‐31G(d) levels, respectively. The ionization potentials (IPs) and electron affinities (EAs) were computed. The lowest excitation energies, the maximum absorption, and emission wavelengths of these compounds were calculated by employing the time‐dependent density functional theory (TD‐DFT) method. Also, the mobilities of holes and electrons were studied computationally based on the Marcus electron transfer theory. The CH₂Cl₂ solvent effect on the absorption spectra of N,N′‐di‐1‐naphthyl‐N,N′‐diphenylbenzidine ( NPB ) was considered by polarizable continuum model (PCM). The results obtained for these compounds are in good agreement with the experimental values. These data show that the proposed compounds 1 and 2 (N,B‐di‐1‐naphthyl‐N,B‐diphenylbenzidine and Mes₂N[p‐4,4′‐biphenyl‐NPh(1‐naphthyl)]), are multifunctional and bifunctional materials similar to Mes₂B[p‐4,4′‐biphenyl‐NPh(1‐naphthyl)] ( BNPB ) and NPB , respectively. Copyright © 2009 John Wiley & Sons, Ltd.     

Study of nuclear quadrupole interactions and quadrupole Raman processes of Ga and Ga in a β-Ga2O3:Cr single crystal

Nuclear magnetic resonance (NMR) data and the spin–lattice relaxation times, T₁, of ⁶⁹Ga and ⁷¹Ga nuclei in a β-Ga₂O₃:Cr³⁺ single crystal were obtained using FT NMR spectrometry. Four sets of NMR spectra for ⁶⁹Ga (I = 3/2) and ⁷¹Ga (I = 3/2) were obtained in the crystallographic planes. The ⁶⁹Ga and ⁷¹Ga nuclei each had two chemically inequivalent Ga_I and Ga_II centers. Each of the ⁶⁹Ga and ⁷¹Ga isotopes yielded two different central NMR resonance lines originating from Ga_I and Ga_II sites. The nuclear quadrupole coupling constants and asymmetry parameters of ⁶⁹Ga_I, ⁶⁹Ga_II, ⁷¹Ga_I, and ⁷¹Ga_II centers in a β-Ga₂O₃:Cr³⁺ crystal were obtained. Analysis of the EFG tensor principal axes (PAs) for Ga nuclei and the ZFS tensor PAs for the Cr³⁺ ion confirmed that the Cr³⁺ paramagnetic impurity ion substitutes for the Ga³⁺ ion in the oxygen octahedron. In addition, the temperature dependencies of the ⁶⁹Ga and ⁷¹Ga relaxation rates were consistent with Raman processes, as T₁⁻¹ ∝ T². Even though the Cr³⁺ impurities are paramagnetic, the relaxations were dominated by electric quadrupole interactions of the nuclear spins in the temperature range investigated.     

Self-assembly of well-ordered and highly uniform nanoripples induced by focused ion beam

Well-ordered and highly uniform nanoripple structures on the surface of single crystal LaAlO₃ (1 0 0), SrTiO₃ (1 0 0) and Al₂O₃ (0 0 0 1) were formed via self-assembly (not by beam writing) by focused ion-beam bombardment. The morphology and topography of nanoripple structures were characterized using in-situ focused ion-beam/scanning electron microscope, as well as ex-situ atomic force microscopy. Under off-normal bombardment without sample rotation, the characteristic wavelength of nanoripples varying from 248 to 395 nm on the LaAlO₃ (1 0 0) surface can be obtained by changing ion fluence and incident angle. When all sputtering parameters except the ion fluence are constant, the wavelength of nanoripples is increased with the enhanced ion fluence. These results demonstrate the potential application of using ion sputtering method for fabricating the well-ordered and highly uniform nanoripples which can be used in nanodevices.     

A comparative study on partially premixed combustion (PPC) and reactivity controlled compression ignition (RCCI) in an optical engine

Partially premixed combustion (PPC) and reactivity controlled compression ignition (RCCI) are two new combustion modes in compression-ignition (CI) engines. However, the detailed in-cylinder ignition and flame development process in these two CI modes were not clearly understood. In the present study, firstly, the fuel stratification, ignition and flame development in PPC and RCCI were comparatively studied on a light-duty optical engine using multiple optical diagnostic techniques. The overall fuel reactivity (PRF number) and concentration (fuel-air equivalence ratio) were kept at 70 and 0.77 for both modes, respectively. Iso-octane and n-heptane were separately used in the port-injection (PI) and direct-injection (DI) for RCCI, while PRF70 fuel was introduced through direct-injection (DI) for PPC. The DI timing for both modes was fixed at –25°CA ATDC. Secondly, the combustion characteristics of PPC and RCCI with more premixed charge were explored by increasing the PI mass fraction for RCCI and using the split DI strategy for PPC. In the first part, results show that RCCI has shorter ignition delay than PPC due to the fuel reactivity stratification. The natural flame luminosity, formaldehyde and OH PLIF images prove that the flame front propagation in the early stage of PPC can be seen, while there is no distinct flame front propagation in RCCI. In the second part, the higher premixed ratio results in more auto-ignition sites and faster combustion rate for PPC. However, the higher premixed ratio reduces the combustion rate in RCCI mode and the flame front propagation can be clearly seen, the flame speed of which is similar to that in spark ignition engines but lower than that in PPC. It can be concluded that the ratio of flame front propagation and auto-ignition in RCCI and PPC can be modulated by the control over the fuel stratification degree through different fuel-injection strategies.     

Potential reduction interior point algorithm unfolding of neutron energy spectrum measured by recoil proton method

A reconstruction algorithm for unfolding neutron energy spectra has been developed, based for the first time on the potential reduction interior point algorithm. This algorithm can be easily applied to neutron energy spectrum reconstruction in the recoil proton method. We transform the neutron energy spectrum unfolding problem into a typical nonnegative linear complementarity problem. The recoil proton energy spectrum and response matrix at angles of 0^o and 30^o are generated by the Geant4 simulation toolkit. Several different neutron energy test spectra are also employed. It is found that this unfolding algorithm is stable and provides efficient, accurate results.