Showing papers in "Chinese Physics B in 2016"

Topological nodal line semimetals

Abstract: We review the recent, mainly theoretical, progress in the study of topological nodal line semimetals in three dimensions. In these semimetals, the conduction and the valence bands cross each other along a one-dimensional curve in the three-dimensional Brillouin zone, and any perturbation that preserves a certain symmetry group (generated by either spatial symmetries or time-reversal symmetry) cannot remove this crossing line and open a full direct gap between the two bands. The nodal line(s) is hence topologically protected by the symmetry group, and can be associated with a topological invariant. In this review, (i) we enumerate the symmetry groups that may protect a topological nodal line; (ii) we write down the explicit form of the topological invariant for each of these symmetry groups in terms of the wave functions on the Fermi surface, establishing a topological classification; (iii) for certain classes, we review the proposals for the realization of these semimetals in real materials; (iv) we discuss different scenarios that when the protecting symmetry is broken, how a topological nodal line semimetal becomes Weyl semimetals, Dirac semimetals, and other topological phases; and (v) we discuss the possible physical effects accessible to experimental probes in these materials.

Device simulation of lead-free CH3NH3SnI3 perovskite solar cells with high efficiency*

Abstract: The lead-free perovskite solar cells (PSCs) have drawn a great deal of research interest due to the Pb toxicity of the lead halide perovskite. CH3NH3SnI3 is a viable alternative to CH3NH3PbX3, because it has a narrower band gap of 1.3 eV and a wider visible absorption spectrum than the lead halide perovskite. The progress of fabricating tin iodide PSCs with good stability has stimulated the studies of these CH3NH3SnI3 based cells greatly. In the paper, we study the influences of various parameters on the solar cell performance through theoretical analysis and device simulation. It is found in the simulation that the solar cell performance can be improved to some extent by adjusting the doping concentration of the perovskite absorption layer and the electron affinity of the buffer and HTM, while the reduction of the defect density of the perovskite absorption layer significantly improves the cell performance. By further optimizing the parameters of the doping concentration (1.3× 1016 cm−3) and the defect density (1× 1015 cm−3) of perovskite absorption layer, and the electron affinity of buffer (4.0 eV) and HTM (2.6 eV), we finally obtain some encouraging results of the Jsc of 31.59 mA/cm2, Voc of 0.92 V, FF of 79.99%, and PCE of 23.36%. The results show that the lead-free CH3NH3SnI3 PSC is a potential environmentally friendly solar cell with high efficiency. Improving the Sn2 + stability and reducing the defect density of CH3NH3SnI3 are key issues for the future research, which can be solved by improving the fabrication and encapsulation process of the cell.

All-solid-state lithium batteries with inorganic solid electrolytes: Review of fundamental science

Abstract: The scientific basis of all-solid-state lithium batteries with inorganic solid electrolytes is reviewed briefly, touching upon solid electrolytes, electrode materials, electrolyte/electrode interface phenomena, fabrication, and evaluation. The challenges and prospects are outlined as well.

Evolution of structure and physical properties in Al-substituted Ba-hexaferrites*

Abstract: The investigations of the crystal and magnetic structures of the BaFe12−xAlxO19 (x = 0.1–1.2) solid solutions have been performed with powder neutron diffractometry. Magnetic properties of the BaFe12−xAlxO19 (x = 0.1–1.2) solid solutions have been measured by vibration sample magnetometry at different temperatures under different magnetic fields. The atomic coordinates and lattice parameters have been Rietveld refined. The invar effect is observed in low temperature range (from 4.2 K to 150 K). It is explained by the thermal oscillation anharmonicity of atoms. The increase of microstress with decreasing temperature is found from Rietveld refinement. The Curie temperature and the change of total magnetic moment per formula unit are found for all compositions of the BaFe12−xAlxO19 (x = 0.1–1.2) solid solutions. The magnetic structure model is proposed. The most likely reasons and the mechanism of magnetic structure formation are discussed.

Brief overview of electrochemical potential in lithium ion batteries

Abstract: The physical fundamentals and influences upon electrode materials' open-circuit voltage (OCV) and the spatial distribution of electrochemical potential in the full cell are briefly reviewed. We hope to illustrate that a better understanding of these scientific problems can help to develop and design high voltage cathodes and interfaces with low Ohmic drop. OCV is one of the main indices to evaluate the performance of lithium ion batteries (LIBs), and the enhancement of OCV shows promise as a way to increase the energy density. Besides, the severe potential drop at the interfaces indicates high resistance there, which is one of the key factors limiting power density.

Analytical study of Cattaneo–Christov heat flux model for a boundary layer flow of Oldroyd-B fluid*

Abstract: We investigate the Cattaneo–Christov heat flux model for a two-dimensional laminar boundary layer flow of an incompressible Oldroyd-B fluid over a linearly stretching sheet. Mathematical formulation of the boundary layer problems is given. The nonlinear partial differential equations are converted into the ordinary differential equations using similarity transformations. The dimensionless velocity and temperature profiles are obtained through optimal homotopy analysis method (OHAM). The influences of the physical parameters on the velocity and the temperature are pointed out. The results show that the temperature and the thermal boundary layer thickness are smaller in the Cattaneo–Christov heat flux model than those in the Fourier's law of heat conduction.

A novel color image encryption algorithm based on genetic recombination and the four-dimensional memristive hyperchaotic system

Abstract: Recently, many image encryption algorithms based on chaos have been proposed. Most of the previous algorithms encrypt components R, G, and B of color images independently and neglect the high correlation between them. In the paper, a novel color image encryption algorithm is introduced. The 24 bit planes of components R, G, and B of the color plain image are obtained and recombined into 4 compound bit planes, and this can make the three components affect each other. A four-dimensional (4D) memristive hyperchaotic system generates the pseudorandom key streams and its initial values come from the SHA 256 hash value of the color plain image. The compound bit planes and key streams are confused according to the principles of genetic recombination, then confusion and diffusion as a union are applied to the bit planes, and the color cipher image is obtained. Experimental results and security analyses demonstrate that the proposed algorithm is secure and effective so that it may be adopted for secure communication.

New analytical exact solutions of time fractional KdV–KZK equation by Kudryashov methods

Abstract: In this paper, new exact solutions of the time fractional KdV–Khokhlov–Zabolotskaya–Kuznetsov (KdV–KZK) equation are obtained by the classical Kudryashov method and modified Kudryashov method respectively. For this purpose, the modified Riemann–Liouville derivative is used to convert the nonlinear time fractional KdV–KZK equation into the nonlinear ordinary differential equation. In the present analysis, the classical Kudryashov method and modified Kudryashov method are both used successively to compute the analytical solutions of the time fractional KdV–KZK equation. As a result, new exact solutions involving the symmetrical Fibonacci function, hyperbolic function and exponential function are obtained for the first time. The methods under consideration are reliable and efficient, and can be used as an alternative to establish new exact solutions of different types of fractional differential equations arising from mathematical physics. The obtained results are exhibited graphically in order to demonstrate the efficiencies and applicabilities of these proposed methods of solving the nonlinear time fractional KdV–KZK equation.

Lithium-ion transport in inorganic solid state electrolyte*

Abstract: An overview of ion transport in lithium-ion inorganic solid state electrolytes is presented, aimed at exploring and designing better electrolyte materials. Ionic conductivity is one of the most important indices of the performance of inorganic solid state electrolytes. The general definition of solid state electrolytes is presented in terms of their role in a working cell(to convey ions while isolate electrons), and the history of solid electrolyte development is briefly summarized. Ways of using the available theoretical models and experimental methods to characterize lithium-ion transport in solid state electrolytes are systematically introduced. Then the various factors that affect ionic conductivity are itemized, including mainly structural disorder, composite materials and interface effects between a solid electrolyte and an electrode. Finally, strategies for future material systems, for synthesis and characterization methods, and for theory and calculation are proposed, aiming to help accelerate the design and development of new solid electrolytes.

FT-Raman spectroscopy study of solvent-in-salt electrolytes*

Abstract: Cation–anion interaction with different ratios of salt to solvent is investigated by FT-Raman spectroscopy The fitting result of the C–N–C bending vibration manifests that the cation–anion coordination structure changes tremendously with the variation of salt concentration It is well known that lithium-ion transport in ultrahigh salt concentration electrolyte is dramatically different from that in dilute electrolyte, due to high viscosity and strong cation–anion interaction In ultrahigh salt concentrated "solvent-in-salt" electrolyte (SIS-7#), we found, on one hand, that the cation and anion in the solution mainly formed cation–anion pairs with a high Li+ coordination number (≥ 1), including intimate ion pairs (201%) and aggregated ion pairs (799%), which not only cause low total ionic conductivity but also cause a high lithium transference number (073) A possible lithium transport mechanism is proposed: in solvent-in-salt electrolytes, lithium ions' direct movement presumably depends on Li-ion exchange between aggregated ion pairs and solvent molecules, which repeats a dissolving and re-complexing process between different oxygen groups of solvent molecules

Three-dimensional flow of Powell-Eyring nanofluid with heat and mass flux boundary conditions

Abstract: This article investigates the three-dimensional flow of Powell–Eyring nanofluid with thermophoresis and Brownian motion effects. The energy equation is considered in the presence of thermal radiation. The heat and mass flux conditions are taken into account. Mathematical formulation is carried out through the boundary layer approach. The governing partial differential equations are transformed into the nonlinear ordinary differential equations through suitable variables. The resulting nonlinear ordinary differential equations have been solved for the series solutions. Effects of emerging physical parameters on the temperature and nanoparticles concentration are plotted and discussed. Numerical values of local Nusselt and Sherwood numbers are computed and examined.

First-principles hybrid functional study of the electronic structure and charge carrier mobility in perovskite CH 3 NH 3 SnI 3

Abstract: We calculate the electronic properties and carrier mobility of perovskite CH3NH3SnI3 as a solar cell absorber by using the hybrid functional method. The calculated result shows that the electron and hole mobilities have anisotropies with a large magnitude of 1.4 × 104 cm2V−1s−1 along the y direction. In view of the huge difference between hole and electron mobilities, the perovskite CH3NH3SnI3 can be considered as a p-type semiconductor. We also discover a relationship between the effective mass anisotropy and electronic occupation anisotropy. The above results can provide reliable guidance for its experimental applications in electronics and optoelectronics.

Bright and dark soliton solutions for some nonlinear fractional differential equations

Abstract: In this work, we propose a new approach, namely ansatz method, for solving fractional differential equations based on a fractional complex transform and apply it to the nonlinear partial space–time fractional modified Benjamin–Bona–Mahoney (mBBM) equation, the time fractional mKdV equation and the nonlinear fractional Zoomeron equation which gives rise to some new exact solutions. The physical parameters in the soliton solutions: amplitude, inverse width, free parameters and velocity are obtained as functions of the dependent model coefficients. This method is suitable and more powerful for solving other kinds of nonlinear fractional PDEs arising in mathematical physics. Since the fractional derivatives are described in the modified Riemann–Liouville sense.

Nonrelativistic Shannon information entropy for Kratzer potential

Abstract: The Shannon information entropy is investigated within the nonrelativistic framework. The Kratzer potential is considered as the interaction and the problem is solved in a quasi-exact analytical manner to discuss the ground and first excited states. Some interesting features of the information entropy densities as well as the probability densities are demonstrated. The Bialynicki–Birula–Mycielski inequality is also tested and found to hold for these cases.

Metal-enhanced fluorescence of graphene oxide by palladium nanoparticles in the blue-green part of the spectrum

Abstract: Graphene oxide (GO) has a wide fluorescence bandwidth, which makes it a prospective candidate for numerous applications. For many of these applications, the fluorescence yield of GO should be further increased. The sp2-hybridized carbons in GO confine the π-electrons. Radiative recombination of electron–hole pairs in such sp2 clusters is the source of fluorescence in this material. Palladium nanoparticles are good catalysts for sp2 bond formations. We report on the preparation of GO, palladium nanoparticles and their nanocomposites in two different solvents. It is shown that palladium nanoparticles can considerably enhance the intrinsic fluorescence of GO in the blue–green part of the visible light spectrum. Fluorescence enhancement has been attributed to the catalytic role of palladium nanoparticles in increasing the number of sp2 bonds of GO with the molecules of the surrounding media. It is shown that palladium nanoparticles could be the nanoparticle of choice for fluorescence enhancement of GO because of their catalytic role in sp2 bond formation.

Two-point resistance of an m×n resistor network with an arbitrary boundary and its application in RLC network

Abstract: A rectangular m × n resistor network with an arbitrary boundary is investigated, and a general resistance formula between two nodes on an arbitrary axis is derived by the Recursion-Transform (RT) method, a problem that has never been resolved before, for the Green's function technique and the Laplacian matrix approach are inapplicable to it. To have the exact solution of resistance is important but it is difficult to obtain under the condition of arbitrary boundary. Our result is directly expressed in a single summation and mainly composed of characteristic roots, which contain both finite and infinite cases. Further, the current distribution is given explicitly as a byproduct of the method. Our framework can be effectively applied to RLC networks. As an application to the LC network, we find that our formulation leads to the occurrence of resonances at h 1 = 1 − cos i − sin i cot n i . This somewhat curious result suggests the possibility of practical applications of our formulae to resonant circuits.

Analysis of robustness of urban bus network

Abstract: In this paper, the invulnerability and cascade failures are discussed for the urban bus network. Firstly, three static models(bus stop network, bus transfer network, and bus line network) are used to analyse the structure and invulnerability of urban bus network in order to understand the features of bus network comprehensively. Secondly, a new way is proposed to study the invulnerability of urban bus network by modelling two layered networks, i.e., the bus stop-line network and the bus line-transfer network and then the interactions between different models are analysed. Finally, by modelling a new layered network which can reflect the dynamic passenger flows, the cascade failures are discussed. Then a new load redistribution method is proposed to study the robustness of dynamic traffic. In this paper, the bus network of Shenyang City which is one of the biggest cities in China, is taken as a simulation example. In addition, some suggestions are given to improve the urban bus network and provide emergency strategies when traffic congestion occurs according to the numerical simulation results.

An ab initio investigation of vibrational, thermodynamic, and optical properties of Sc 2 AlC MAX compound

Abstract: The structural vibrational, thermodynamical, and optical properties of potentially technologically important, weakly coupled MAX compound, Sc2AlC are calculated using density functional theory (DFT). The structural properties of Sc2AlC are compared with the results reported earlier. The vibrational, thermodynamical, and optical properties are theoretically estimated for the first time. The phonon dispersion curve is calculated and the dynamical stability of this compound is investigated. The optical and acoustic modes are observed clearly. We calculate the Helmholtz free energy (F), internal energy (E), entropy (S), and specific heat capacity (Cv ) from the phonon density of states. Various optical parameters are also calculated. The reflectance spectrum shows that this compound has the potential to be used as an efficient solar reflector.

Inverse full state hybrid projective synchronization for chaotic maps with different dimensions

Abstract: A new synchronization scheme for chaotic (hyperchaotic) maps with different dimensions is presented. Specifically, given a drive system map with dimension n and a response system with dimension m, the proposed approach enables each drive system state to be synchronized with a linear response combination of the response system states. The method, based on the Lyapunov stability theory and the pole placement technique, presents some useful features: (i) it enables synchronization to be achieved for both cases of n m; (ii) it is rigorous, being based on theorems; (iii) it can be readily applied to any chaotic (hyperchaotic) maps defined to date. Finally, the capability of the approach is illustrated by synchronization examples between the two-dimensional Henon map (as the drive system) and the three-dimensional hyperchaotic Wang map (as the response system), and the three-dimensional Henon-like map (as the drive system) and the two-dimensional Lorenz discrete-time system (as the response system).

Localized waves in three-component coupled nonlinear Schrödinger equation

Abstract: We study the generalized Darboux transformation to the three-component coupled nonlinear Schrodinger equation. First- and second-order localized waves are obtained by this technique. In first-order localized wave, we get the interactional solutions between first-order rogue wave and one-dark, one-bright soliton respectively. Meanwhile, the interactional solutions between one-breather and first-order rogue wave are also given. In second-order localized wave, one-dark-one-bright soliton together with second-order rogue wave is presented in the first component, and two-bright soliton together with second-order rogue wave are gained respectively in the other two components. Besides, we observe second-order rogue wave together with one-breather in three components. Moreover, by increasing the absolute values of two free parameters, the nonlinear waves merge with each other distinctly. These results further reveal the interesting dynamic structures of localized waves in the three-component coupled system.

New ordered MAX phase Mo 2 TiAlC 2 : Elastic and electronic properties from first-principles

Abstract: First-principles computation on the basis of density functional theory (DFT) is executed with the CASTEP code to explore the structural, elastic, and electronic properties along with Debye temperature and theoretical Vickers' hardness of newly discovered ordered MAX phase carbide Mo2TiAlC2. The computed structural parameters are very reasonable compared with the experimental results. The mechanical stability is verified by using the computed elastic constants. The brittleness of the compound is indicated by both the Poisson's and Pugh's ratios. The new MAX phase is capable of resisting the pressure and tension and also has the clear directional bonding between atoms. The compound shows significant elastic anisotropy. The Debye temperature estimated from elastic moduli (B, G) is found to be 413.6 K. The electronic structure indicates that the bonding nature of Mo2TiAlC2 is a mixture of covalent and metallic with few ionic characters. The electron charge density map shows a strong directional Mo–C–Mo covalent bonding associated with a relatively weak Ti–C bond. The calculated Fermi surface is due to the low-dispersive Mo 4d-like bands, which makes the compound a conductive one. The hardness of the compound is also evaluated and a high value of 9.01 GPa is an indication of its strong covalent bonding.

Large linear magnetoresistance in a new Dirac material BaMnBi2

Abstract: Dirac semimetal is a class of materials that host Dirac fermions as emergent quasi-particles. Dirac cone-type band structure can bring interesting properties such as quantum linear magnetoresistance and large mobility in the materials. In this paper, we report the synthesis of high quality single crystals of BaMnBi2 and investigate the transport properties of the samples. BaMnBi2 is a metal with an antiferromagnetic transition at T N = 288 K. The temperature dependence of magnetization displays different behavior from CaMnBi2 and SrMnBi2, which suggests the possible different magnetic structure of BaMnBi2. The Hall data reveals electron-type carriers and a mobility μ(5 K) = 1500 cm2/Vs. Angle-dependent magnetoresistance reveals the quasi-two-dimensional (2D) Fermi surface in BaMnBi2. A crossover from semiclassical MR ~ H 2 dependence in low field to MR ~ H dependence in high field, which is attributed to the quantum limit of Dirac fermions, has been observed in magnetoresistance. Our results indicate the existence of Dirac fermions in BaMnBi2.

Flexibility of nucleic acids: From DNA to RNA

Abstract: The structural flexibility of nucleic acids plays a key role in many fundamental life processes, such as gene replication and expression, DNA-protein recognition, and gene regulation. To obtain a thorough understanding of nucleic acid flexibility, extensive studies have been performed using various experimental methods and theoretical models. In this review, we will introduce the progress that has been made in understanding the flexibility of nucleic acids including DNAs and RNAs, and will emphasize the experimental findings and the effects of salt, temperature, and sequence. Finally, we will discuss the major unanswered questions in understanding the flexibility of nucleic acids.

Optimization of multi-color laser waveform for high-order harmonic generation*

Abstract: With the development of laser technologies, multi-color light-field synthesis with complete amplitude and phase control would make it possible to generate arbitrary optical waveforms. A practical optimization algorithm is needed to generate such a waveform in order to control strong-field processes. We review some recent theoretical works of the optimization of amplitudes and phases of multi-color lasers to modify the single-atom high-order harmonic generation based on genetic algorithm. By choosing different fitness criteria, we demonstrate that: (i) harmonic yields can be enhanced by 10 to 100 times, (ii) harmonic cutoff energy can be substantially extended, (iii) specific harmonic orders can be selectively enhanced, and (iv) single attosecond pulses can be efficiently generated. The possibility of optimizing macroscopic conditions for the improved phase matching and low divergence of high harmonics is also discussed. The waveform control and optimization are expected to be new drivers for the next wave of breakthrough in the strong-field physics in the coming years.

A flux-controlled model of meminductor and its application in chaotic oscillator

Abstract: A meminductor is a new type of memory device developed from the memristor. We present a mathematical model of a flux-controlled meminductor and its equivalent circuit model for exploring the properties of the meminductor in a nonlinear circuit. We explore the response characteristics of the meminductor under the exciting signals of sinusoidal, square, and triangular waves by using theoretical analysis and experimental tests, and design a meminductor-based oscillator based on the model. Theoretical analysis and experiments show that the meminductor-based oscillator possesses complex bifurcation behaviors and can generate periodic and chaotic oscillations. A special phenomenon called the co-existent oscillation that can generate multiple oscillations (such as chaotic, periodic oscillations as well as stable equilibrium) with the same parameters and different initial conditions occurs. We also design an analog circuit to realize the meminductor-based oscillator, and the circuit experiment results are in accordance with the theory analysis.