Orbital-free (OF) density functional theory (DFT) directly solves for the electron density rather than the wave function of many electron systems, greatly simplifying and enabling large scale first principles simulati...
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Orbital-free (OF) density functional theory (DFT) directly solves for the electron density rather than the wave function of many electron systems, greatly simplifying and enabling large scale first principles simulations. However, the required approximate noninteracting kinetic energy density functionals and local electron-ion pseudopotentials severely restrict the general applicability of conventional OFDFT. Here, we present a new generation of OFDFT called angular-momentum-dependent (AMD)-OFDFT to harness the accuracy of Kohn-Sham DFT and the simplicity of OFDFT. The angular momenta of electrons are explicitly introduced within atom-centered spheres so that the important ionic core region can be accurately described. In addition to conventional OF total energy functionals, we introduce a crucial nonlocal energy term with a set of AMD energies to correct errors due to the kinetic energy density functional and the local pseudopotential. We find that our AMD-OFDFT formalism offers substantial improvements over conventional OFDFT, as we show for various properties of the transition metal titanium.
The driving mechanism of solar flares and coronal mass ejections is a topic of ongoing debate, apart from the consensus that magnetic reconnection plays a key role during the impulsive process. While present solar res...
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The driving mechanism of solar flares and coronal mass ejections is a topic of ongoing debate, apart from the consensus that magnetic reconnection plays a key role during the impulsive process. While present solar research mostly depends on observations and theoretical models, laboratory experiments based on high-energy density facilities provide the third method for quantitatively comparing astrophysical observations and models with data achieved in experimental *** this article, we show laboratory modeling of solar flares and coronal mass ejections by constructing the magnetic reconnection system with two mutually approaching laser-produced plasmas circumfused of self-generated megagauss magnetic fields. Due to the Euler similarity between the laboratory and solar plasma systems, the present experiments demonstrate the morphological reproduction of flares and coronal mass ejections in solar observations in a scaled sense,and confirm the theory and model predictions about the current-sheet-born anomalous plasmoid as the initial stage of coronal mass ejections, and the behavior of moving-away plasmoid stretching the primary reconnected field lines into a secondary current sheet conjoined with two bright ridges identified as solar flares.
A family of systems parameterized by H 〉 0, which describes the Langmuir turbulence, is considered. The asymptotic behavior of the solutions (E^H, nH) when H goes to zero is studied. The results of convergence of ...
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A family of systems parameterized by H 〉 0, which describes the Langmuir turbulence, is considered. The asymptotic behavior of the solutions (E^H, nH) when H goes to zero is studied. The results of convergence of (EH, nH) to the couple (E, n) which is the solution to the Zakharov equations are stated.
We introduce the concept of nearly hyperuniform network (NHN) structures as alternatives to the conventional continuous random network (CRN) models for amorphous tetrahedrally coordinated solids, such as amorphous sil...
We introduce the concept of nearly hyperuniform network (NHN) structures as alternatives to the conventional continuous random network (CRN) models for amorphous tetrahedrally coordinated solids, such as amorphous silicon (a-Si). A hyperuniform solid has a structure factor S(k) that approaches zero as the wavenumber k→0. We define a NHN as an amorphous network whose structure factor S(k→0) is smaller than the liquid value at the melting temperature. Using a novel implementation of the Stillinger-Weber potential for the interatomic interactions, we show that the energy landscape for a spectrum of NHNs includes a sequence of local minima with an increasing degree of hyperuniformity [smaller S(k→0)] that is significantly below the frozen-liquid value and that correlates with other measurable features in S(k) at intermediate and large k and with the width of the electronic band gap.
This paper deals with blowing up of solutions to the Cauchy problem for a class of general- ized Zakharov system with combined power-type nonlinearities in two and three space dimensions. On the one hand, for co = +o...
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This paper deals with blowing up of solutions to the Cauchy problem for a class of general- ized Zakharov system with combined power-type nonlinearities in two and three space dimensions. On the one hand, for co = +oo we obtain two finite time blow-up results of solutions to the aforementioned 4 ≤ p 〈 N+2/N-2 4 system. One is obtained under the condition a ≥ 0 and 1 + 4/N or a 〈 0 and 1 〈 p 〈 1 + (N = 2,3); the other is established under the condition N = 3, 1 〈 p 〈 N=2/N-2 and α(p - 3) 〉 0. On the other hand, for co 〈 +∞ and α(p - 3) 〉 0, we prove a blow-up result for solutions with negative energy to the Zakharov system under study.
The nonlinear stability of Kerr-Newman black holes (KNBHs) is investigated by performing numerical simulations within the full Einstein-Maxwell theory. We take as initial data a KNBH with mass M, angular momentum to m...
The nonlinear stability of Kerr-Newman black holes (KNBHs) is investigated by performing numerical simulations within the full Einstein-Maxwell theory. We take as initial data a KNBH with mass M, angular momentum to mass ratio a and charge Q. Evolutions are performed to scan this parameter space within the intervals 0≤a/M≤0.994 and 0≤Q/M≤0.996, corresponding to an extremality parameter a/amax (amax≡M2−Q2) ranging from 0 to 0.995. These KNBHs are evolved, together with a small bar-mode perturbation, up to a time of order 120M. Our results suggest that for small Q/a, the quadrupolar oscillation modes depend solely on a/amax, a universality also apparent in previous perturbative studies in the regime of small rotation. Using as a stability criterion the absence of significant relative variations in the horizon areal radius and BH spin, we find no evidence for any developing instability.
Total recombination rate coefficients of 112Sn35+ ions have been firstly measured by employing the electron-ion merged-beams technique on the main cooler storage ring at Lanzhou. Using an electron beam energy detuning...
Total recombination rate coefficients of 112Sn35+ ions have been firstly measured by employing the electron-ion merged-beams technique on the main cooler storage ring at Lanzhou. Using an electron beam energy detuning system, we precisely tuned the relative energies from 0 to 6.0 eV between the electron beam and the ion beam (momentum spread Δp/p ~ 5 × 10−4). A multi-configuration Breit-Pauli calculation utilizing kappa-averaged relativistic orbitals has been carried-out for the recombination rate coefficients. We find that there are obvious differences between the experimental total rate coefficients and the theoretical calculations.
The present paper investigates the asymptotic behavior of solutions for stochastic non-Newtonian fluids in a two-dimensional domain. Firstly, we prove the existence of random attractors AH (w) in H; Secondly, we pro...
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The present paper investigates the asymptotic behavior of solutions for stochastic non-Newtonian fluids in a two-dimensional domain. Firstly, we prove the existence of random attractors AH (w) in H; Secondly, we prove the existence of random attractors Ay(w) in V. Then we verify regularity of the random attractors by showing that AH(W) = Ay(w), which implies the smoothing effect of the fluids in the sense that solution becomes eventually more regular than the initial data.
In this work, we extend recent inverse statistical-mechanical methods developed for many-particle systems to the case of spin systems. For simplicity, we focus in this initial study on the two-state Ising model with r...
In this work, we extend recent inverse statistical-mechanical methods developed for many-particle systems to the case of spin systems. For simplicity, we focus in this initial study on the two-state Ising model with radial spin-spin interactions of finite range (i.e., extending beyond nearest-neighbor sites) on the square lattice under periodic boundary conditions. Our interest herein is to find the optimal set of shortest-range pair interactions within this family of Hamiltonians, whose corresponding ground state is a targeted spin configuration such that the difference in energies between the energetically closest competitor and the target is maximized. For an exhaustive list of competitors, this optimization problem is solved exactly using linear programming. The possible outcomes for a given target configuration can be organized into the following three solution classes: unique (nondegenerate) ground state (class I), degenerate ground states (class II), and solutions not contained in the previous two classes (class III). We have chosen to study a general family of striped-phase spin configurations comprised of alternating parallel bands of up and down spins of varying thicknesses and a general family of rectangular block checkerboard spin configurations with variable block size, which is a generalization of the classic antiferromagnetic Ising model. Our findings demonstrate that the structurally anisotropic striped phases, in which the thicknesses of up- and down-spin bands are equal, are unique ground states for isotropic short-ranged interactions. By contrast, virtually all of the block checkerboard targets are either degenerate or fall within class III solutions. The degenerate class II spin configurations are identified up to a certain block size. We also consider other target spin configurations with different degrees of global symmetries and order. Our investigation reveals that the solution class to which a target belongs depends sensitively on the nature
In the first paper of this series [DiStasio, Jr., Marcotte, Car, Stillinger, and Torquato, Phys. Rev. B 88, 134104 (2013)], we applied inverse statistical-mechanical techniques to study the extent to which targeted sp...
In the first paper of this series [DiStasio, Jr., Marcotte, Car, Stillinger, and Torquato, Phys. Rev. B 88, 134104 (2013)], we applied inverse statistical-mechanical techniques to study the extent to which targeted spin configurations on the square lattice can be ground states of finite-ranged radial spin-spin interactions. In this sequel, we enumerate all of the spin configurations within a unit cell on the one-dimensional integer lattice and the two-dimensional square lattice up to some modest size under periodic boundary conditions. We then classify these spin configurations into those that can or cannot be unique classical ground states of the aforementioned radial pair spin interactions and found the relative occurrences of these ground-state solution classes for different system sizes. As a result, we also determined the minimal radial extent of the spin-spin interaction potentials required to stabilize those configurations whose ground states are either unique or degenerate (i.e., those sharing the same radial spin-spin correlation function). This enumeration study has established that unique ground states are not limited to simple target configurations. However, we also found that many simple target spin configurations cannot be unique ground states.
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