Development of mean-field electrical double layer theory

In order to understand the electric interfacial behavior, mean field based electric double layer （EDL） theory has been continuously developed over the past 150 years. In this article, we briefly review the development of the EDL model, from the dimensionless Gouy-Chapman model to the symmetric Bikerman-Freise model, and finally toward size-asymmetric mean field theory models. We provide the general derivations within the framework of Helmholtz free energy of the lattice- gas model, and it can be seen that the above-mentioned models are consistent in the sense that the interconversi0n among them can be achieved by reducing the basic assumptions.

An Evidence-Based CoCoSo Framework with Double Hierarchy Linguistic Data for Viable Selection of Hydrogen Storage Methods

Hydrogen is the new age alternative energy source to combat energy demand and climate change.Storage of hydrogen is vital for a nation’s growth.Works of literature provide different methods for storing the produced hydrogen,and the rational selection of a viable method is crucial for promoting sustainability and green practices.Typically,hydrogen storage is associated with diverse sustainable and circular economy(SCE)criteria.As a result,the authors consider the situation a multi-criteria decision-making(MCDM)problem.Studies infer that previous models for hydrogen storage method(HSM)selection(i)do not consider preferences in the natural language form;(ii)weights of experts are not methodically determined;(iii)hesitation of experts during criteria weight assessment is not effectively explored;and(iv)three-stage solution of a suitable selection of HSM is unexplored.Driven by these gaps,in this paper,authors put forward a new integrated framework,which considers double hierarchy linguistic information for rating,criteria importance through inter-criteria correlation(CRITIC)for expert weight calculation,evidence-based Bayesian method for criteria weight estimation,and combined compromise solution(CoCoSo)for ranking HSMs.The applicability of the developed framework is testified by using a case example of HSM selection in India.Sensitivity and comparative analysis reveal the merits and limitations of the developed framework.

First-Principles Calculations on Novel Rb-Based Halide Double Perovskites Alloys for Spintronics and Optoelectronic Applications

The outcomes of computational study of electronic, magnetic and optical spectra for A2BX6 (A = Rb;B = Tc, Pb, Pt, Sn, W, Ir, Ta, Sb, Te, Se, Mo, Mn, Ti, Zr and X = Cl, Br) materials have been proceeded utilizing Vanderbilt Ultra Soft Pseudo Potential (US-PP) process. The Rb2PbBr6 and Rb2PbCl6 are found to be a (Г-Г) semiconductors with energy gaps of 0.275 and 1.142 eV, respectively making them promising photovoltaic materials. The metallic behavior of the materials for Rb2BX6 (B = Tc, W, Ir, Ta, Mn, Sb, Mo) has been confirmed showing the attendance of conducting lineaments. The dielectric function is found to be large close to the ultraviolet districts (3.10 - 4.13 eV). The extinction coefficient of the Rb2BX6 has the ability to be used for implements. The band structures and density of states ensure the magnetic semiconductors’ nature of the Rb2Mn (Cl, Br)6 perovskites. The total calculated magnetic moment of Rb2MnCl6 and Rb2MnB6 is 3.00μβ. Advanced spintronic technology requires room-temperature ferromagnetism. The present work confirms that, bromine and chlorine-founded double perovskites are extremely attractive for photovoltaic and optoelectronic devices.

Reconstructing Equation of State for Dark Energy in Double Complex Symmetric Gravitational Theory

We propose to study the accelerating expansion of the universe in the double complex symmetric gravitational theory （DCSGT）. The universe we live in is taken as the real part of the whole spacetime MC^4（J）, which is double complex. By introducing the spatially flat FRW metric, not only the double Friedmann equations but also the two constraint conditions py = 0 and J^2 = 1 are obtained. Farthermore, using parametric DL（z） ansatz, we reconstruct the ω/（z） and V（Ф） for dark energy from real observational data. We find that in the two cases of J = i, pJ = 0, and J = ε, pJ≠0, the corresponding equations of state ω＇（z） remain close to -1 at present （z = 0） and change from below -1 to above -1. The results illustrate that the whole spacetime, i.e. the double complex spacetime MC^4（J）, may be either ordinary complex （J = i, pJ = 0） or hyperbolic complex （J = ε, pJ≠ 0）. And the fate of the universe would be Big Rip in the future.

A General Method in the Synthesis of Ternary Double Pass-Transistor Circuits

A general method for designing ternary circuits using double pass-transistor logic is investigated. The logical relation of each MOS transistor is formulated by using the transmission operation in order to make effective and practical use of the circuits. A way to generate ternary complementary and dual circuits by applying the complementarity and duality principles is presented. This new static ternary double pass-transistor logic scheme has some favorable properties：the use of standard CMOS process without any modification of the thresholds, a perfectly symmetrical structure,a full logic swing, the maximum possible noise margins, a less complex structure, and no static power consumption. HSPICE simulations using TSMC 0.25μm CMOS technology and a 3V power supply demonstrate the effectiveness of the proposed design.

Research on Motion Performance of the Mobile Double-Causeway Pier System

Mobile offshore double-causeway pier system, a type of seashore unloading equipment, consists of two groups of multiple connected semi-submersible modules. This structure has wide application because most of the middle or mini type of vessels and ships can be moored to it. Based on the analysis of computational methods of multi-body motion response, a hydrodynamic model is set up and the three-dimensional potential theory in finite depth is adopted to calculate the three-dimensional motion response of this system. The double P-M spectrum is used to analyze the motion response in irregular waves. Different wave directions are specially taken into consideration, due to their various effects to the motion response. Furthermore, the calculated result is compared with that of the experiment, and it is proved that sway, heave, pitch and yaw motion are greatly constrained by mooring system. The comparison also indicates that the model can forecast the motion performance of the target, and that the calculated result can also be used as reference in connector and mooring system design.

Nonsequential double ionization of nonaligned diatomic molecules N_2 and O_2

Nonsequential double ionization （NSDI） processes of nonaligned diatomic molecules N2 and O2 are studied using the S-matrix theory. Our results show that the NSDI process significantly depends on the molecular symmetry and structure. The ratio of NSDI rate to single ionization rate as a function of the field intensity is obtained. It is found that N2 behaves closely with its companion atom Ar in the ratios over the entire intensity range, while O2 exhibits an obvious suppression effect, which is qualitatively consistent with the experiment.

Mechanical analysis of double-layered circular graphene sheets as building material embedded in an elastic medium

Possessing the unique and highly valuable properties, graphene sheets(GSs) have attracted increasing attention including that from the building engineer due to the fact that Graphene can be utilized to reinforce concrete and other building materials. In this work, the nonlocal elastic theory and classical plate theory(CLPT) are used to derive the governing equations. The element-free framework for analyzing the buckling behaviors of double layer circular graphene sheets(DLCGSs) relying on an elastic medium is proposed. Pasternak-type model is adopted to describe the elastic medium. Accordingly, the influences of boundary conditions, size of GSs and nonlocal parameters on the buckling behavior of DLCGSs are investigated. The results show that the OP buckling modes are only sensible to the van der Waals forces.

Study of the Electrical Double Layer of a Spherical Micelle: Functional Theoretical Approach

By using the iterative method in functional theory, an analytic expression of the Poisson-Boltzmann equation (PB eq.), which describes the distribution of the potential of electrical double layer of a spherical micelle, has been carried out under the general potential condition for the first time. The method also can give the radius, the surface potential, and the thickness of the layer.

External Bifurcations of Double Heterodimensional Cycles with One Orbit Flip

In this paper, external bifurcations of heterodimensional cycles connecting three saddle points with one orbit flip, in the shape of “∞”, are studied in three-dimensional vector field. We construct a poincaré return map between returning points in a transverse section by establishing a locally active coordinate system in the tubular neighborhood of unperturbed double heterodimensional cycles, through which the bifurcation equations are obtained under different conditions. Near the double heterodimensional cycles, the authors prove the preservation of “∞”-shape double heterodimensional cycles and the existence of the second and third shape heterodimensional cycle and a large 1-heteroclinic cycle connecting with P1 and P3. The coexistence of a 1-fold large 1-heteroclinic cycle and the “∞”-shape double heterodimensional cycles and the coexistence conditions are also given in the parameter space.

Domain of Euler Mean in the Space of Absolutely p-Summable Double Sequences with 0

In this study, as the domain of four dimensional Euler mean E(r,s) of orders r,sin the space L_p for 0 < p < 1, we examine the double sequence space ε_p^(r,s) and some properties of four dimensional Euler mean. We determine the α-and β(bp)-duals of the space εp r,s, and characterize the classes(ε_p^(r,s):M_u),(ε_p^(r,s):C_(bp)) and(ε_p^(r,s):L_q) of four dimensional matrix transformations, where 1 ≤q < ∞. Finally, we shortly emphasize on the Euler spaces of single and double sequences, and note some further suggestions.

Period-doubling bifurcation in two-stage power factor correction converters using the method of incremental harmonic balance and Floquet theory

In this paper, period-doubling bifurcation in a two-stage power factor correction converter is analyzed by using the method of incremental harmonic balance （IHB） and Floquet theory. A two-stage power factor correction converter typically employs a cascade configuration of a pre-regulator boost power factor correction converter with average current mode control to achieve a near unity power factor and a tightly regulated post-regulator DC-DC Buck converter with voltage feedback control to regulate the output voltage. Based on the assumption that the tightly regulated postregulator DC-DC Buck converter is represented as a constant power sink and some other assumptions, the simplified model of the two-stage power factor correction converter is derived and its approximate periodic solution is calculated by the method of IHB. And then, the stability of the system is investigated by using Floquet theory and the stable boundaries are presented on the selected parameter spaces. Finally, some experimental results are given to confirm the effectiveness of the theoretical analysis.

DFT Studies on the Isomerization of Butene Double Bond Catalyzed by 1-Butyl-3-methyl-imidazolium in Ionic Liquid

The geometries of reactant, product and transition state of the title reaction have been optimized by using density functional theory (DFT) at the B3LYP/6-31G(d,p) and B3LYP/6- 311++G(d,p) levels. The variations of the bond parameters in the course of reaction were analyzed. The zero point energy corrections were performed by vibrational analysis. The equilibrium states and the transition state were verified according to the number of virtue frequency of geometry. The intrinsic reaction coordinates (IRC) were calculated from the transition state. The calculated results show that the double bond rearrangement of butene catalyzed by 1-butyl-3-methyl-imidazolium cation is a one-step reaction. The forward energy barrier of isomerization from 1-butene to 2- butene is about 193 kJ·mol-1 and the reverse energy barrier about 209 kJ·mol-1 at the B3LYP/6- 31G(d,p) level, which means that the reaction is easy to proceed at or above room temperature.

Influence of Coulomb force between two electrons on double ionization of He-like atoms

In strong-field double ionization,two electrons are ionized by intense laser field.These two electrons move in the laser field and the state is described by a Coulomb-Volkov state,where the repulsive Coulomb state describes the relative motion of the two electrons and the Volkov state describes the center-of-mass motion of the two electrons in the laser field.In the frame of scattering theory,we derive a simple analytical formula of the double ionization of He-like atoms.The effect of the Coulomb force between two electrons on the double ionization process is discussed.Numerical studies disclose that the Coulomb force enhances the ionization rate of high-energy electrons but suppresses the ionization rate of the lowest-energy electrons.

Internal energy and specific antiferromagnetic heat in a ferromagnetic- double layers

The internal energy and specific heat of a Heisenberg ferro- antiferromagnetic double-layer system are studied by using spin-wave theory and the retarded Green function method at low temperatures. Numerical results show that the antiferromagnetic intralayer coupling J2 has an important influence on internal energy and specific heat for a four-sublattice system with antiferromagnetic （or ferrimagnetic） interlayer couplings.

Ferroelectricity induced by the absorption of water molecules on double helix SnIP

We study the ferroelectricity in a one-dimensional(1D)system composed of a double helix SnIP with absorbing water molecules.Our ab initio calculations reveal two factors that are critical to the electrical polarization.The first one is the orientation of polarized water molecules staying in the R2 region of SnIP.The second one is the displacement of I atom which roots from subtle interaction with absorbed water molecules.A reasonable scenario of polarization flipping is proposed in this study.In the scenario,the water molecule is rolling-up with keeping the magnitude of its electrical dipole and changing its direction,meanwhile,the displacement of I atoms is also reversed.Highly tunable polarization can be achieved by applying strain,with 26.5%of polarization enhancement by applying tensile strain,with only 4%degradation is observed with 4%compressive strain.Finally,the direct band gap is also found to be correlated with strain.

Optimal social welfare:A many-to-many data transaction mechanism based on double auctions

With the development of Big Data and the Internet of Things(IoT),the data value is more significant in both academia and industry.Trading can achieve maximal data value and prepare data for smart city services.Due to data's unique characteristics,such as dispersion,heterogeneity and distributed storage,an unbiased platform is necessary for the data trading market with rational trading entities.Meanwhile,there are multiple buyers and sellers in a practical data trading market,and this makes it challenging to maximize social welfare.To solve these problems,this paper proposes a Social-Welfare-Oriented Many-to-Many Trading Mechanism(SOMTM),which integrates three entities,a trading process and an algorithm named Many-to-Many Trading Algorithm(MMTA).Based on the market scale,market dominated-side and market fixed-side,simulations verify the convergency,economic properties and efficiency of SOMTM.

Magnetic Properties of Ferromagnetic Double Layers with Ferrimagnetic Interlayer Coupling at Zero Temperature

Spin-wave theory is used to study magnetic properties of ferromagnetic double layers with a ferrimagnetic interlayer coupling at zero temperature. The spin-wave spectra and four sublattices magnetizations and internal energy are calculated by employing retarded Green function technique. The sublattice magnetizations at ground state are smaller than their classical values, owing to the zero-point quantum fluctuations of the spins.

Effect of Solvent Polarity on Excited-State Double Proton Transfer Process of 1,5-Dihydroxyanthraquinone

The excited-state double proton transfer(ESDPT)properties of 1,5-dihydroxyanthraquinone(1,5-DHAQ)in various solvents were investigated using femtosecond transient absorption spectroscopy and the DFT/TDDFT method.The steady-state fluorescence spectra in toluene,tetrahydrofuran(THF)and acetonitrile(ACN)solvents presented that the solvent polarity has an effect on the position of the ESDPT fluorescence emission peak for the 1,5-DHAQ system.Transient absorption spectra show that the increasing polarity of the solvent accelerates the rate of excited state dynamics.Calculated potential energy curves analysis further verified the experimental results.The ESDPT barrier decreases gradually with the increase of solvent polarity from toluene,THF to ACN solvent.It is convinced that the increase of solvent polarity can promote the occurrence of the ESDPT dynamic processes for the 1,5-DHAQ system.This work clarifies the mechanism of the influence of solvent polarity on the ESDPT process of 1,5-DHAQ,which provides novel ideas for design and synthesis of new hydroxyanthraquinone derivatives.

Designer Mg-Mg and Zn-Zn Single Bonds Facilitated by Double Aromaticity in the M2B7^-(M=Mg,Zn)Clusters

The simple homodinuclear M-M single bonds for group II and XII elements are difficult to obtain as a result of the fulfilled s2electronic configurations,consequently,a dicationic prototype is often utilized to design the M^+-M^+single bond.Existing studies generally use sterically bulky organic ligands L^-to synthesize the compounds in the L^--M^+-M^+-L-manner.However,here we report the design of Mg-Mg and Zn-Zn single bonds in two ligandless clusters,Mg2B7-and Zn2B7-,using density functional theory methods.The global minima of both of the clusters are in the form of M2^2+(B7^3-),where the M-M single bonds are positioned above a quasi-planar hexagonal B7 moiety.Chemical bonding analyses further confirm the existence of Mg-Mg and Zn-Zn single bonds in these clusters,which are driven by the unusually stable B7^3-moiety that is bothσandπaromatic.Vertical detachment energies of Mg2B7-and Zn2B7-are calculated to be 2.79 e V and 2.94 e V,respectively,for the future comparisons with experimental data.