An energy-conserving Galerkin scheme for a class of nonlinear dispersive equations

A Galerkin scheme is presented for a class of conservative nonlinear dispersive equations, such as the Camassa–Holm equation and the regularized long wave equation. The scheme has two advantageous features: first, it is conservative in that it keeps the discrete analogue of the continuous energy conservation property in the original equations; second, it can be formulated only with cheap H¹$H^1$-elements even if the original equations include third derivative u_xxx$u_{\mathit{xxx}}$. Numerical experiments confirm the stability and effectiveness of the proposed scheme.     

An unsplit staggered mesh scheme for multidimensional magnetohydrodynamics

We introduce an unsplit staggered mesh scheme (USM) for multidimensional magnetohydrodynamics (MHD) that uses a constrained transport (CT) method with high-order Godunov fluxes and incorporates a new data reconstruction–evolution algorithm for second-order MHD interface states. In this new algorithm, the USM scheme includes so-called “multidimensional MHD terms”, proportional to $?·\mathbf{B}$, in a dimensionally-unsplit way in a single update. This data reconstruction–evolution step, extended from the corner transport upwind (CTU) approach of Colella, maintains in-plane dynamics very well, as shown by the advection of a very weak magnetic field loop in 2D. This data reconstruction–evolution algorithm is also of advantage in its consistency and simplicity when extended to 3D. The scheme maintains the $?·\mathbf{B}=0$ constraint by solving a set of discrete induction equations using the standard CT approach, where the accuracy of the computed electric field directly influences the quality of the magnetic field solution. We address the lack of proper dissipative behavior in the simple electric field averaging scheme and present a new modified electric field construction (MEC) that includes multidimensional derivative information and enhances solution accuracy. A series of comparison studies demonstrates the excellent performance of the full USM–MEC scheme for many stringent multidimensional MHD test problems chosen from the literature. The scheme is implemented and currently freely available in the University of Chicago ASC FLASH Center’s FLASH3 release.     

A transformation-free HOC scheme for incompressible viscous flows past an impulsively started circular cylinder

In this paper, we present a higher order compact scheme for the unsteady two-dimensional (2D) Navier–Stokes equations on nonuniform polar grids specifically designed for the incompressible viscous flows past a circular cylinder. The scheme is second order accurate in time and at least third order accurate in space. The scheme very efficiently computes both unsteady and time-marching steady-state flow for a wide range of Reynolds numbers (Re)$(\mathit{Re})$ ranging from 10 to 9500 for the impulsively started cylinder. The robustness of the scheme is highlighted when it accurately captures the vortex shedding for moderate Re   represented by the von Kármán street and the so called α$\alpha$ and β$\beta$-phenomena for higher Re. Comparisons are made with established numerical and experimental results and excellent agreement is found in all the cases, both qualitatively and quantitatively.     

On physics-based preconditioning of the Navier–Stokes equations

We develop a fully implicit scheme for the Navier–Stokes equations, in conservative form, for low to intermediate Mach number flows. Simulations in this range of flow regime produce stiff wave systems in which slow dynamical (advective) modes coexist with fast acoustic modes. Viscous and thermal diffusion effects in refined boundary layers can also produce stiffness. Implicit schemes allow one to step over the fast wave phenomena (or unresolved viscous time scales), while resolving advective time scales. In this study we employ the Jacobian-free Newton–Krylov (JFNK) method and develop a new physics-based preconditioner. To aid in overcoming numerical stiffness caused by the disparity between acoustic and advective modes, the governing equations are transformed into the primitive-variable form in a preconditioning step. The physics-based preconditioning incorporates traditional semi-implicit and physics-based splitting approaches without a loss of consistency between the original and preconditioned systems. The resulting algorithm is capable of solving low-speed natural circulation problems (M∼10^-4)$(M\sim {10}^{-4})$ with significant heat flux as well as intermediate speed (M∼1)$(M\sim 1)$ flows efficiently by following dynamical (advective) time scales of the problem.     

Fictitious Domain approach with hp-finite element approximation for incompressible fluid flow

We consider the application of Fictitious Domain approach combined with least squares spectral elements for the numerical solution of fluid dynamic incompressible equations. Fictitious Domain methods allow problems formulated on a complicated shaped domain Ω$\Omega$ to be solved on a simpler domain Π$\Pi$ containing Ω$\Omega$. Least Squares Spectral Element Method has been used to develop the discrete model, as this scheme combines the generality of finite element methods with the accuracy of spectral methods. Moreover the least squares methods have theoretical and computational advantages in the algorithmic design and implementation. This paper presents the formulation and validation of the Fictitious Domain Least Squares Spectral Element approach for the steady incompressible Navier–Stokes equations. The convergence of the approximated solution is verified solving two-dimensional benchmark problems, demonstrating the predictive capability of the proposed formulation.     

125 GeV Higgs,type III seesaw and gauge–Higgs unification

Recently, both the ATLAS and CMS experiments have observed an excess of events that could be the first evidence for a 125 GeV Higgs boson. This is a few GeV below the (absolute) vacuum stability bound on the Higgs mass in the Standard Model (SM), assuming a Planck mass ultraviolet (UV) cutoff. In this Letter, we study some implications of a 125 GeV Higgs boson for new physics in terms of the vacuum stability bound. We first consider the seesaw extension of the SM and find that in type III seesaw, the vacuum stability bound on the Higgs mass can be as low as 125 GeV for the seesaw scale around a TeV. Next we discuss some alternative new physics models which provide an effective ultraviolet cutoff lower than the Planck mass. An effective cutoff Λ?10¹¹ GeV$\Lambda ?{10}^{11}\text{GeV}$ leads to a vacuum stability bound on the Higgs mass of 125 GeV. In a gauge–Higgs unification scenario with five-dimensional flat spacetime, the so-called gauge–Higgs condition can yield a Higgs mass of 125 GeV, with the compactification scale of the extra-dimension being identified as the cutoff scale Λ?10¹¹ GeV$\Lambda ?{10}^{11}\text{GeV}$. Identifying the compactification scale with the unification scale of the SM SU(2) gauge coupling and the top quark Yukawa coupling yields a Higgs mass of 121±2 GeV$121\pm 2\text{GeV}$.     

Quantum information entropies for position-dependent mass Schrödinger problem

The Shannon entropy for the position-dependent Schrödinger equation for a particle with a nonuniform solitonic mass density is evaluated in the case of a trivial null potential. The position S_x$S_x$ and momentum S_p$S_p$ information entropies for the three lowest-lying states are calculated. In particular, for these states, we are able to derive analytical solutions for the S_x$S_x$ entropy as well as for the Fourier transformed wave functions, while the S_p$S_p$ quantity is calculated numerically. We notice the behavior of the S_x$S_x$ entropy, namely, it decreases as the mass barrier width narrows and becomes negative beyond a particular width. The negative Shannon entropy exists for the probability densities that are highly localized. The mass barrier determines the stability of the system. The dependence of S_p$S_p$ on the width is contrary to the one for S_x$S_x$. Some interesting features of the information entropy densities ρ_s(x)${\rho }_s\left(x\right)$ and ρ_s(p)${\rho }_s\left(p\right)$ are demonstrated. In addition, the Bialynicki-Birula–Mycielski (BBM) inequality is tested for a number of states and found to hold for all the cases.     

An Asymptotic Preserving scheme for the Euler equations in a strong magnetic field

This paper is concerned with the numerical approximation of the isothermal Euler equations for charged particles subject to the Lorentz force (the ‘Euler–Lorentz’ system). When the magnetic field is large, or equivalently, when the parameter ε$\epsilon$ representing the non-dimensional ion cyclotron frequency tends to zero, the so-called drift-fluid (or gyro-fluid) approximation is obtained. In this limit, the parallel motion relative to the magnetic field direction splits from perpendicular motion and is given implicitly by the constraint of zero total force along the magnetic field lines. In this paper, we provide a well-posed elliptic equation for the parallel velocity which in turn allows us to construct an Asymptotic-Preserving (AP) scheme for the Euler–Lorentz system. This scheme gives rise to both a consistent approximation of the Euler–Lorentz model when ε$\epsilon$ is finite and a consistent approximation of the drift limit when ε→0$\epsilon \to 0$. Above all, it does not require any constraint on the space and time-steps related to the small value of ε$\epsilon$. Numerical results are presented, which confirm the AP character of the scheme and its Asymptotic Stability.     

A numerical scheme for the Stefan problem on adaptive Cartesian grids with supralinear convergence rate

We present a level set approach to the numerical simulation of the Stefan problem on non-graded adaptive Cartesian grids, i.e. grids for which the size ratio between adjacent cells is not constrained. We use the quadtree data structure to discretize the computational domain and a simple recursive algorithm to automatically generate the adaptive grids. We use the level set method on quadtree of Min and Gibou [C. Min, F. Gibou, A second order accurate level set method on non-graded adaptive Cartesian grids, J. Comput. Phys. 225 (2007) 300–321] to keep track of the moving front between the two phases, and the finite difference scheme of Chen et al. [H. Chen, C. Min, F. Gibou, A supra-convergent finite difference scheme for the poisson and heat equations on irregular domains and non-graded adaptive Cartesian grids, J. Sci. Comput. 31 (2007) 19–60] to solve the heat equations in each of the phases, with Dirichlet boundary conditions imposed on the interface. This scheme produces solutions that converge supralinearly (∼1.5)$(\sim 1.5)$ in both the L¹$L^1$ and the L^∞$L^{\infty }$ norms, which we demonstrate numerically for both the temperature field and the interface location. Numerical results also indicate that our method can simulate physical effects such as surface tension and crystalline anisotropy. We also present numerical data to quantify the saving in computational resources.     

Running of neutrino parameters and the Higgs self-coupling in a six-dimensional UED model

We investigate a six-dimensional universal extra-dimensional model in the extension of an effective neutrino mass operator. We derive the β  -functions and renormalization group equations for the Yukawa couplings, the Higgs self-coupling, and the effective neutrino mass operator in this model. Especially, we focus on the renormalization group running of physical parameters such as the Higgs self-coupling and the leptonic mixing angles. The recent measurements of the Higgs boson mass by the ATLAS and CMS Collaborations at the LHC as well as the current three-flavor global fits of neutrino oscillation data have been taken into account. We set a bound on the six-dimensional model, using the vacuum stability criterion, that allows five Kaluza–Klein modes only, which leads to a strong limit on the cutoff scale. Furthermore, we find that the leptonic mixing angle _θ12${\theta }_{12}$ shows the most sizeable running, and that the running of the angles _θ13${\theta }_{13}$ and _θ23${\theta }_{23}$ are negligible. Finally, it turns out that the findings in this six-dimensional model are comparable with what is achieved in the corresponding five-dimensional model, but the cutoff scale is significantly smaller, which means that it could be detectable in a closer future.     

Improving the understanding of the melting curve of tantalum at extreme pressures through the pressure dependence of fusion volume and entropy

Molecular dynamics simulations of the melting curve of tantalum for the pressure range 0–300 GPa are reported. The calculated melting curve agrees well with shock wave measurements and other calculations, but disagrees strongly with the diamond anvil cell data at high pressure. Calculated results for the pressure dependence of the fusion volume and entropy show that the pressure dependence of melting temperature approximately followed the Clausius–Clapeyron relation, and the slope of melting curve is mainly due to the variation of fusion volume. Entropy change due to latent volume change in melting, ΔS_V$\mathrm{\Delta }{S}_V$ and change in the configuration, ΔS_D$\mathrm{\Delta }{S}_D$ were evaluated. It is found that they have similar trend as the overall entropy change in melting, and ΔS_D$\mathrm{\Delta }{S}_D$ is more dominant. Furthermore, the value of ΔS_D$\mathrm{\Delta }{S}_D$ at ambient pressure is close to Rln  2 per mole, which is the specific value of ΔS_D$\mathrm{\Delta }{S}_D$ predicted by the Rln2 rule, while it decreases when pressure goes from 50 to 300 GPa. The analysis of the pair distribution function at extreme pressure shows that the change of configuration on melting decreases with increasing pressure, which supports the pressure dependence of ΔS_D$\mathrm{\Delta }{S}_D$.     

Low temperature properties of the Fermi–Dirac,Boltzmann and Bose–Einstein equations

We investigate low temperature (T  ) properties of three classical quantum statistics models: (I) the Fermi–Dirac equation, (II) the Boltzmann equation, and (III) the Bose–Einstein equation. It is widely assumed that each of these equations is valid for all T>0$T>0$. For each equation we prove that this assumption leads to erroneous predictions as T→0⁺$T\to 0^{+}$. Our approach to correct these errors gives new low temperature predictions which contradict previous theory. We examine a two-state paramagnetism system and show how our new low temperature prediction compares favorably with experimental data.     

Optimality and oscillations near the edge of stability in the dynamics of autonomous vehicle platoons

A model that includes the mechanical response of a vehicle to a demanded change in acceleration is analyzed to determine the string stability of a platoon of autonomous vehicles. The response is characterized by a first-order time constant τ$\tau$ and an explicit delay _td$t_d$. The minimum value of the acceleration feedback control gain is found from calculations of the velocity of vehicles following a lead vehicle that decelerates sharply from high speed to low speed. Larger values of ξ$\xi$ (in the stable range) give larger values of deceleration for vehicles in the platoon. Optimal operation is attained close to the minimum value of ξ$\xi$ for stability. Small oscillations are found after the main peak in deceleration for ξ$\xi$ in the stable region but near the transition to instability. A theory for predicting the frequency and amplitude of the oscillations is presented.     

Improved quantum state transfer via quantum partially collapsing measurements

In this work, we present a general scheme to improve quantum state transfer (QST) by taking advantage of quantum partially collapsing measurements. The scheme consists of a weak measurement performed at the initial time on the qubit encoding the state of concern and a subsequent quantum reversal measurement at a desired time on the destined qubit. We determine the strength q_r$q_r$ of the post quantum reversal measurement as a function of the strength p$p$ of the prior weak measurement and the evolution time t$t$ so that near-perfect QST can be achieved by choosing p$p$ close enough to 1, with a finite success probability, regardless of the evolution time and the distance over which the QST takes place. The merit of our scheme is twofold: it not only improves QST, but also suppresses the energy dissipation, if any.     

A new time–space domain high-order finite-difference method for the acoustic wave equation

A new unified methodology was proposed in Finkelstein and Kastner (2007) [39] to derive spatial finite-difference (FD) coefficients in the joint time–space domain to reduce numerical dispersion. The key idea of this method is that the dispersion relation is completely satisfied at several designated frequencies. We develop this new time–space domain FD method further for 1D, 2D and 3D acoustic wave modeling using a plane wave theory and the Taylor series expansion. New spatial FD coefficients are frequency independent though they lead to a frequency dependent numerical solution. We prove that the modeling accuracy is 2nd-order when the conventional (2M)$(2M)$th-order space domain FD and the 2nd-order time domain FD stencils are directly used to solve the acoustic wave equation. However, under the same discretization, the new 1D method can reach (2M)$(2M)$th-order accuracy and is always stable. The 2D method can reach (2M)$(2M)$th-order accuracy along eight directions and has better stability. Similarly, the 3D method can reach (2M)$(2M)$th-order accuracy along 48 directions and also has better stability than the conventional FD method. The advantages of the new method are also demonstrated by the results of dispersion analysis and numerical modeling of acoustic wave equation for homogeneous and inhomogeneous acoustic models. In addition, we study the influence of the FD stencil length on numerical modeling for 1D inhomogeneous media, and derive an optimal FD stencil length required to balance the accuracy and efficiency of modeling. A new time–space domain high-order staggered-grid FD method for the 1D acoustic wave equation with variable densities is also developed, which has similar advantages demonstrated by dispersion analysis, stability analysis and modeling experiments. The methodology presented in this paper can be easily extended to solve similar partial difference equations arising in other fields of science and engineering.     

Tensor decomposition in electronic structure calculations on 3D Cartesian grids

In this paper, we investigate a novel approach based on the combination of Tucker-type and canonical tensor decomposition techniques for the efficient numerical approximation of functions and operators in electronic structure calculations. In particular, we study applicability of tensor approximations for the numerical solution of Hartree–Fock and Kohn–Sham equations on 3D Cartesian grids. We show that the orthogonal Tucker-type tensor approximation of electron density and Hartree potential of simple molecules leads to low tensor rank representations. This enables an efficient tensor-product convolution scheme for the computation of the Hartree potential using a collocation-type approximation via piecewise constant basis functions on a uniform n×n×n$n\times n\times n$ grid. Combined with the Richardson extrapolation, our approach exhibits O(h³)$O(h^3)$ convergence in the grid-size h=O(n^-1)$h=O(n^{-1})$. Moreover, this requires O(3rn+r³)$O(3\mathit{rn}+r^3)$ storage, where r   denotes the Tucker rank of the electron density with r=O(logn)$r=O(\log n)$, almost uniformly in n  . For example, calculations of the Coulomb matrix and the Hartree–Fock energy for the CH₄${\text{CH}}_4$ molecule, with a pseudopotential on the C atom, achieved accuracies of the order of 10^-6${10}^{-6}$ hartree with a grid-size n of several hundreds. Since the tensor-product convolution in 3D is performed via 1D convolution transforms, our scheme markedly outperforms the 3D-FFT in both the computing time and storage requirements.