The elastic anisotropy and superconductivity upon hydrostatic compression ofα,ω,and β Hf are investigated using first-principle *** results of elastic anisotropies show that they increase with increasing pressure f...
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The elastic anisotropy and superconductivity upon hydrostatic compression ofα,ω,and β Hf are investigated using first-principle *** results of elastic anisotropies show that they increase with increasing pressure for α and ω phases,while decrease upon compression forβ*** calculated superconducting transition temperatures are in excellent agreement with ***-phonon coupling constants(λ)are increasing with pressure for α and ω phases,while decreasing for β *** β phase,the large values ofλare mainly due to the obvious TA1 soft *** further compression,the TA1 soft vibrational mode will disappear gradually.
By analyzing the momentum distribution obtained from path integral and phonon calculations we find that the protons in hexagonal ice experience an anisotropic quasiharmonic effective potential with three distinct prin...
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By analyzing the momentum distribution obtained from path integral and phonon calculations we find that the protons in hexagonal ice experience an anisotropic quasiharmonic effective potential with three distinct principal frequencies that reflect molecular orientation. Due to the importance of anisotropy, anharmonic features of the environment cannot be extracted from existing experimental distributions that involve the spherical average. The full directional distribution is required, and we give a theoretical prediction for this quantity that could be verified in future experiments. Within the quasiharmonic context, anharmonicity in the ground-state dynamics of the proton is substantial and has quantal origin, a finding that impacts the interpretation of several spectroscopies.
The ground state properties of deformed nuclei of C isotope are investigated by the Skyrme-Hartree-Fock theory with new force parameters SKI4 of Reinhard and Flocard[***.A 584(1995)467].Calculations show that the defo...
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The ground state properties of deformed nuclei of C isotope are investigated by the Skyrme-Hartree-Fock theory with new force parameters SKI4 of Reinhard and Flocard[***.A 584(1995)467].Calculations show that the deformed-Skyrme-Hartree-Fock theory with above force parameters provides a good description on the binding energy,the various radii and deformation parameters of C *** figure of the evolution of deformation for whole C isotope chain is plotted.A detailed discussion on numerical results is provided in the paper.
Disordered hyperuniform many-body systems are exotic states of matter with novel optical, transport, and mechanical properties. These systems are characterized by an anomalous suppression of large-scale density fluctu...
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Disordered hyperuniform many-body systems are exotic states of matter with novel optical, transport, and mechanical properties. These systems are characterized by an anomalous suppression of large-scale density fluctuations compared to ordinary liquids. The structure factor of disordered hyperuniform systems often obeys the scaling relation S(k)∼Bkα with B,α>0 in the limit k→0. Ground states of d-dimensional free fermionic gases, which are fundamental models for many metals and semiconductors, are key examples of quantum disordered hyperuniform states with important connections to random matrix theory. However, the effects of electron-electron interactions as well as the polarization of the electron liquid on hyperuniformity have not been explored thus far. In this paper, we systematically address these questions by deriving the analytical small-k behaviors (and, associated, α and B) of the total and spin-resolved structure factors of quasi-one-dimensional, two-dimensional, and three-dimensional electron liquids for varying polarizations and interaction parameters. We validate that these equilibrium disordered ground states are hyperuniform, as dictated by the fluctuation-compressibility relation. Interestingly, free fermions, partially polarized interacting fermions, and fully polarized interacting fermions are characterized by different values of the small-k scaling exponent α and coefficient B. In particular, partially polarized fermionic liquids exhibit a unique form of multihyperuniformity, in which the net configuration exhibits a stronger form of hyperuniformity (i.e., larger α) than each individual spin component. The detailed theoretical analysis of such small-k behaviors enables the construction of corresponding equilibrium classical systems under effective one- and two-body interactions that mimic the pair statistics of quantum electron liquids. Our paper thus reveals that highly unusual hyperuniform and multihyperuniform states can be achieved in simple
We present a new formulation of the incompressible Navier-Stokes equation in terms of an auxiliary field that differs from the velocity by a gauge transformation. The gauge freedom allows us to assign simple and speci...
We construct a nonlinear monotone finite volume scheme for threedimensional diffusion equation on tetrahedral *** it is crucial important to eliminate the vertex unknowns in the construction of the scheme,we present a...
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We construct a nonlinear monotone finite volume scheme for threedimensional diffusion equation on tetrahedral *** it is crucial important to eliminate the vertex unknowns in the construction of the scheme,we present a new efficient eliminating *** scheme has only cell-centered unknowns and can deal with discontinuous or tensor diffusion coefficient problems on distorted meshes *** numerical results illustrate that the resulting scheme can preserve positivity on distorted tetrahedral meshes,and also show that our scheme appears to be approximate second-order accuracy for solution.
By the interpolation inequality and a priori estimates in the weighted space, the existence of global solutions for generalized Ginzburg-Landau equation coupled with BBM equation in an unbounded domain is considered, ...
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By the interpolation inequality and a priori estimates in the weighted space, the existence of global solutions for generalized Ginzburg-Landau equation coupled with BBM equation in an unbounded domain is considered, and the existence of the maximal attractor is obtained.
The Cauchy problem of the generalized Korteweg-de Vries-Benjamin-Ono equation is considered, and low regularity and limit behavior of the solutions are obtained. For k = 1, local well- posedness is obtained for data i...
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The Cauchy problem of the generalized Korteweg-de Vries-Benjamin-Ono equation is considered, and low regularity and limit behavior of the solutions are obtained. For k = 1, local well- posedness is obtained for data in H^s（R）（s 〉 -3/4）. For k = 2, local result for data in H^S（R）（s 〉1/4） is obtained. For k = 3, local result for data in H^S（R）（s 〉 -1/6） is obtained. Moreover, the solutions of generalized Korteweg-de Vries-Benjamin-Ono equation converge to the solutions of KdV equation if the term of Benjamin-Ono equation tends to zero.
Automatic conversion from a computer-aided design(CAD) model to Monte Carlo geometry is one of the most effective methods for large-scale and detailed Monte Carlo modeling. The CAD to Monte Carlo geometry converter(CM...
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Automatic conversion from a computer-aided design(CAD) model to Monte Carlo geometry is one of the most effective methods for large-scale and detailed Monte Carlo modeling. The CAD to Monte Carlo geometry converter(CMGC) is a newly developed conversion code based on the boundary representation to constructive solid geometry(BRep→CSG) conversion method. The goal of the conversion process in the CMGC is to generate an appropriate CSG representation to achieve highly efficient Monte Carlo simulations. We designed a complete solid decomposition scheme to split a complex solid into as few nonoverlapping simple sub-solids as possible. In the complete solid decomposition scheme, the complex solid is successively split by so-called direct, indirect, and auxiliary splitting surfaces. We defined the splitting edge and designed a method for determining the direct splitting surface based on the splitting edge, then provided a method for determining indirect and auxiliary splitting surfaces based on solid vertices. Only the sub-solids that contain concave boundary faces need to be supplemented with auxiliary surfaces because the solid is completely decomposed, which will reduce the redundancy in the CSG expression. After decomposition, these sub-solids are located on only one side of their natural and auxiliary surfaces;thus, each sub-solid can be described by the intersections of a series of half-spaces or geometrical primitives. The CMGC has a friendly graphical user interface and can convert a CAD model into geometry input files for several Monte Carlo codes. The reliability of the CMGC was evaluated by converting several complex models and calculating the relative volume errors. Moreover, JMCT was used to test the efficiency of the Monte Carlo simulation. The results showed that the converted models performed well in particle transport calculations.
This paper gives a systematic introduction to HMM,the heterogeneous multiscale methods,including the fundamental design principles behind the HMM philosophy and the main obstacles that have to be overcome when using H...
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This paper gives a systematic introduction to HMM,the heterogeneous multiscale methods,including the fundamental design principles behind the HMM philosophy and the main obstacles that have to be overcome when using HMM for a particular *** is illustrated by examples from several application areas,including complex fluids,micro-fluidics,solids,interface problems,stochastic problems,and statistically self-similar *** is given to the technical tools,such as the various constrained molecular dynamics,that have been developed,in order to apply HMM to these *** of mathematical results on the error analysis of HMM are *** review ends with a discussion on some of the problems that have to be solved in order to make HMM a more powerful tool.
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