Crossover between tetrahedral and hexagonal structures in liquid water

It is widely accepted that liquid water structure is comprised of two closely interweaved components; i.e. tetrahedral (low density) and hexagonal (high density) structures. The relative amount of these components is temperature and pressure dependent. We propose an order parameter, based on the radial distribution function, that quantifies the relative structural composition at any defined temperature and pressure, thus establishing the crossover point in structural dominance. At 300 K this point lies close to 2 kbar, pressure at which water looses most of its ‘anomalous’ properties.     

Equilibrium properties of a semiclassical fluid with square-well plus hard core potential

A cluster expansion theory, in which the quantum hard sphere system is taken as a reference system and the attractive interactions as a perturbation, is applied to calculate the equilibrium properties of the square-well fluid in the semiclassical limit. The radial distribution function and direct correlation function are obtained using the exponential approximation. The isothermal compressibility is also evaluated.     

A Laplace Decomposition Method for Nonlinear Partial Diferential Equations with Nonlinear Term of Any Order

A Laplace decomposition algorithm is adopted to investigate numerical solutions of a class of nonlinear partial diferential equations with nonlinear term of any order,utt+auxx+bu+cup+du2p 1=0,which contains some important equations of mathematical physics.Three distinct initial conditions are constructed and generalized numerical solutions are thereby obtained,including numerical hyperbolic function solutions and doubly periodic ones.Illustrative figures and comparisons between the numerical and exact solutions with diferent values of p are used to test the efciency of the proposed method,which shows good results are achieved.     

A Laplace Decomposition Method for Nonlinear Partial Differential Equations with Nonlinear Term of Any Order

A Laplace decomposition algorithm is adopted to investigate numerical solutions of a class of nonlinear partial differential equations with nonlinear term of any order, utt ＋ auxx ＋ bu ＋ cup ＋ du^2p-1 = 0, which contains some important equations of mathematical physics. Three distinct initial conditions are constructed and generalized numerical solutions are thereby obtained, including numerical hyperbolic function solutions and doubly periodic ones. Illustrative figures and comparisons between the numerical and exact solutions with different values of p are used to test the efficiency of the proposed method, which shows good results are azhieved.     

A Class of Traveling Wave Solutions to Some Nonlinear Partial Differential Equations

For the Noyes-Fields equations, two-dimensional hyperbolic equations of conversation laws, and theBurgers-KdV equation, a class of traveling wave solutions has been obtained by constructing appropriate functiontransformations. The main idea of solving the equations is that nonlinear partial differential equations are changed intosolving algebraic equations. This method has a wide-rangingpracticability.     

An Extension of Mapping Deformation Method and New Exact Solution for Three Coupled Nonlinear Partial Differential Equations

In this paper, we extend the mapping deformation method proposed by Lou. It is used to find new exacttravelling wave solutions of nonlinear partial differential equation or coupled nonlinear partial differential equations(PDEs). Based on the idea of the homogeneous balance method, we construct the general mapping relation betweenthe solutions of the PDEs and those of the cubic nonlinear Klein-Gordon (NKG) equation. By using this relation andthe abundant solutions of the cubic NKG equation, many explicit and exact travelling wave solutions of three systemsof coupled PDEs, which contain solitary wave solutions, trigonometric function solutions, Jacobian elliptic functionsolutions, and rational solutions, are obtained.     

A method of solution of the ornstein-zernike equation in one and three dimensions

An elegant analytic method is presented to derive a modified form of the Ornstein-Zernike equation which not only solves the statistical mechanical problem for hard rods and spheres but can be used to find solutions for arbitrary non-vanishing direct correlation functions.     

Structure study of simple fluids

The structure function of simple monatomic liquids like neon and argon is studied in an approximation scheme where intermediate functionQ(r) is extended beyond hardcore diameter rather than the direct correlation functionC(r). The calculated values show good agreement with experimental values.     

Pair correlation function in a dense plasma and pycnonuclear reactions in stars

The short-range behavior of the pair correlation function in a dense onecomponent plasma (jellium) is investigated. As an intermediate step, the short-range behavior of the classical pair correlation function is obtained. Actually, although the temperature and the density are assumed to be such that the thermodynamic properties are almost classical, quantum mechanics (tunnel effect) always dominates the pair correlation function at short distances. The quantum pair correlation function is calculated by treating the many-body quantum effects by a perturbation theory, and by using a semiclassical approximation based on path integrals. The results are applied to the computation of the nuclear reaction rate in dense stellar matter (pycnonuclear reactions).Laboratoire associé au Centre National de la Recherche Scientifique.     

New Solutions of Three Nonlinear Space- and Time-Fractional Partial Differential Equations in Mathematical Physics

Motivated by the widely used ansätz method and starting from the modified Riemann-Liouville derivative together with a fractional complex transformation that can be utilized to transform nonlinear fractional partial differential equations to nonlinear ordinary differential equations, new types of exact traveling wave solutions to three important nonlinear space- and time-fractional partial differential equations are obtained simultaneously in terms of solutions of a Riccati equation. The results are new and first reported in this paper.     

Contribution of Quark Structure Term in Nucleon Electric and Magnetic Form Factors

The constituent quarks in the nucleon have always been considered as a point-like particle in the relativistic constituent quark model. However its calculation results of GnE agree poorly with the new experimental data. The electromagnetic structure of light front constituent quarks is considered in this paper. We find that the calculation results have good agreement with the new experimental data of GnE after considering the contribution of the quark structure term. This treatment seems to be able to improve the fit to experimental data of Gep/GMp, /Q2F2p/kpF1p,and Gen/GMn as well.     

A new integral equation for the radial distribution function of a hard sphere fluid

Based on a proposal by Shinomoto, a new integral equation is derived for the radial distribution function of a hard-sphere fluid using mainly geometric arguments. This integral equation is solved by a perturbation expansion in the density of the fluid, and the results obtained are compared with those from molecular dynamics simulations and from the Born-Green-Yvon (BGY) and Percus-Yevick (PY) theories. The present theory provides results for the radial distribution function which are intermediate in accuracy between those obtained from the BGY and from the PY theories.     

Contribution of Quark Structure Term in Nucleon Electric and Magnetic Form Factors

The constituent quarks in the nucleon have always been considered as a point-like particle in the relativisticconstituent quark model. However its calculation results of GE^n agree poorly with the new experimental data. Theelectromagnetic structure of light front constituent quarks is considered in this paper. We find that the calculationresults have good agreement with the new experimental data of GE^n after considering the contribution of the quarkstructure term. This treatment seems to be able to improve the fit to experimental data of GEp/GMp,√Q2F2p/kpF1p,and GEn/GMn as well.     

Size effect in the melting and freezing behaviors of Al/Ti core-shell nanoparticles using molecular dynamics simulations

The thermal stability of Ti@Al core/shell nanoparticles with different sizes and components during continuous heating and cooling processes is examined by a molecular dynamics simulation with embedded atom method. The thermodynamic properties and structure evolution during continuous heating and cooling processes are investigated through the characterization of the potential energy, specific heat distribution, and radial distribution function(RDF). Our study shows that, for fixed Ti core size, the melting temperature decreases with Al shell thickness, while the crystallizing temperature and glass formation temperature increase with Al shell thickness. Diverse melting mechanisms have been discovered for different Ti core sized with fixed Al shell thickness nanoparticles. The melting temperature increases with the Ti core radius. The trend agrees well with the theoretical phase diagram of bimetallic nanoparticles. In addition, the glass phase formation of Al–Ti nanoparticles for the fast cooling rate of 12 K/ps, and the crystal phase formation for the low cooling rate of 0.15 K/ps. The icosahedron structure is formed in the frozen 4366 Al–Ti atoms for the low cooling rate.     

Relationship Between Soliton-like Solutions and Soliton Solutions to a Class of Nonlinear Partial Differential Equations

By using the generally projective Riccati equation method, a series of doubly periodic solutions (Jacobi elliptic function solution) for a class of nonlinear partial differential equations are obtained in a unified way. When the module m→1, these solutions exactly degenerate to the soliton solutions of the equations. Then we reveal the relationship between the soliton-like solutions obtained by other authors and these soliton solutions of the equations.     

Solution of Ornstein-Zernike equation for one-dimensional fluids

The application of Wiener-Hopf factorisation procedure as adopted by Baxter has been used to solve the one-dimensional Ornstein and Zernike (oz) equation for a fluid of interacting hard rods. Exact solution is obtained for the Kac potential in the van der Waals limit. We also obtain perturbative results which agree exactly with the lowest order calculations of Kac, Uhlenbeck and Hemmer.     

Improved but low-x approximated relation betweenF 2 p scaling violation and gluon momentum distribution function

We present a brief analysis on the approximate methods for the determination of gluon distribution from the scaling violation of proton structureF ₂ ^p in the low-x limit. In the leading order, a general low-x approximated relation is presented having more accuracy than the previous methods. Next-to-leading order correction is presented incorporating double-log-approximation. The proposed method is found to give good agreement with data. It may also be used to discriminate between the sets of gluon distributions in the low-x.     

The Analytic Solution of SchrSdinger Equation with Potential Function Superposed by Six Terms with Positive-power and Inverse-power Potentials

The analytic solution of the radial Schrodinger equation is studied by using the tight coupling condition of several positive-power and inverse-power potential functions in this article. Furthermore, the precisely analytic solutions and the conditions that decide the existence of analytic solution have been searched when the potential of the radial Schrodinger equation is V（r） =α1r^8 ＋α2r^3 ＋ α3r^2 ＋β3r^-1 ＋β2r^-3 ＋β1r6-4. Generally speaking, there is only an approximate solution, but not analytic solution for SchrSdinger equation with several potentials＇ superposition. However, the conditions that decide the existence of analytic solution have been found and the analytic solution and its energy level structure are obtained for the Schrodinger equation with the potential which is motioned above in this paper. According to the single-value, finite and continuous standard of wave function in a quantum system, the authors firstly solve the asymptotic solution through the radial coordinate r → ∞ and r →0; secondly, they make the asymptotic solutions combining with the series solutions nearby the neighborhood of irregular singularities; and then they compare the power series coefficients, deduce a series of analytic solutions of the stationary state wave function and corresponding energy level structure by tight coupling among the coefficients of potential functions for the radial SchrSdinger equation; and lastly, they discuss the solutions and make conclusions.     

Towards the Evaluation of the Relevant Degrees of Freedom in Nonlinear Partial Differential Equations

We investigate an operator renormalization group method to extract and describe the relevant degrees of freedom in the evolution of partial differential equations. The proposed renormalization group approach is formulated as an analytical method providing the fundamental concepts of a numerical algorithm applicable to various dynamical systems. We examine dynamical scaling characteristics in the short-time and the long-time evolution regime providing only a reduced number of degrees of freedom to the evolution process.