Superfluid Local Density Approximation Research Articles

Local energy density functional for superfluid Fermi gases from effective field theory

Over the past two decades, many studies in the Density Functional Theory context revealed new aspects and properties of strongly correlated superfluid quantum systems in numerous configurations that can be simulated in experiments. This was made possible by the generalization of the Local Density Approximation to superfluid systems by Bulgac in [Phys. Rev. C 65, 051305, (2002), Phys. Rev. A 76, 040502, (2007)]. In the presented work, we propose an extension of the Superfluid Local Density Approximation systematically improvable and applicable to a large range of many-body quantum problems getting rid of the fitting procedures of the functional parameters. It turns out that only the knowledge of the density dependence of the quasi-particle properties, namely, the chemical potential, the effective mass, and the pairing gap function, are enough to obtain an explicit and accurate local functional of the densities without any adjustment a posteriori. This opens the way toward an Effective Field Theory formulation of the Density Functional Theory in the sense that we obtain a universal expansion of the functional parameters entering in the theory as a series in pairing gap function. Finally, we discuss possible applications of the developed approach allowing precise analysis of experimental observations. In that context, we focus our applications on the static structure properties of superfluid vortices.

Pairing dynamics and solitonic excitations in collisions of medium-mass, identical nuclei

We present results of collisions of $^{90}\mathrm{Zr}+^{90}\mathrm{Zr}$ and $^{96}\mathrm{Zr}+^{96}\mathrm{Zr}$ obtained within time-dependent density functional theory (TDDFT) extended to superfluid systems, known as the time-dependent superfluid local density approximation (TDSLDA). We discuss qualitatively new features occurring in collisions of two superfluid nuclei at energies in the vicinity of the Coulomb barrier. We show that a solitonic excitation---an abrupt pairing phase distortion---reported previously [P. Magierski et al., Phys. Rev. Lett. 119, 042501 (2017)] increases the barrier for capture, generating effective repulsion between colliding nuclei. Moreover we demonstrate that pairing field leads to qualitatively different dynamics at the Coulomb barrier which manifests itself in a slower evolution of deformation towards a compact shape. Last but not least, we show that magnitude of pairing correlations can be dynamically enhanced after collision. We interpret it as a dynamically induced $\text{U}(1)$ symmetry breaking, which leads to large-amplitude oscillations of pairing field and bears similarity to the pairing Higgs mechanism.

Rotating quantum turbulence in the unitary Fermi gas

Quantized vortices carry the angular momentum in rotating superfluids, and are key to the phenomenon of quantum turbulence. Advances in ultracold-atom technology enable quantum turbulence to be studied in regimes with both experimental and theoretical control, unlike the original contexts of superfluid helium experiments. While much work has been performed with bosonic systems, detailed studies of fermionic quantum turbulence are nascent, despite wide applicability to other contexts such as rotating neutron stars. In this paper, we present a large-scale study of quantum turbulence in rotating fermionic superfluids using an accurate time-dependent density functional theory called the superfluid local density approximation. We identify two different modes of turbulent decay in the dynamical equilibration of a rotating fermionic superfluid, and contrast these results with a computationally simpler description provided by the Gross-Pitaevskii equation, which we find can qualitatively reproduce these decay mechanisms if dissipation is explicitly included. These results demonstrate that dissipation mechanisms intrinsic to fermionic superfluids play a key role in differentiating fermionic from bosonic turbulence, which manifests by enhanced damping of Kelvin waves.

The LISE package: Solvers for static and time-dependent superfluid local density approximation equations in three dimensions

Nuclear implementation of the density functional theory (DFT) is at present the only microscopic framework applicable to the whole nuclear landscape. The extension of DFT to superfluid systems in the spirit of the Kohn-Sham approach, the superfluid local density approximation (SLDA) and its extension to time-dependent situations, time-dependent superfluid local density approximation (TDSLDA), have been extensively used to describe various static and dynamical problems in nuclear physics, neutron star crust, and cold atom systems. In this paper, we present the codes that solve the static and time-dependent SLDA equations in three-dimensional coordinate space without any symmetry restriction. These codes are fully parallelized with the message passing interface (MPI) library and the time-dependent code takes advantage of graphic processing units (GPU) for accelerating execution. The dynamic code has checkpoint/restart capabilities and for initial conditions one can use any generalized Slater determinant type of wave function. By generating the appropriate initial quasi-particle wave-functions in a static calculation only, the time-dependent code can describe a large number of physical problems: nuclear fission, collisions of heavy ions, the interaction of quantized vortices with nuclei in the nuclear star crust, excitation of superfluid fermion systems by time dependent external fields, quantum shock waves, domain wall generation and propagation, the dynamics of the Anderson-Bogoliubov-Higgs mode, dynamics of fragmented condensates, vortex rings dynamics, generation and dynamics of quantized vortices, their crossing and recombinations and the incipient phases of quantum turbulence. Program summaryProgram title: LISECPC library link to program files:https://doi.org/10.17632/mwr7rsxpjw.1Licensing provisions: BSD 3-ClauseProgramming language: C, CUDANature of problem: The description of nuclear fission and nuclear reactions within the mean field approximation in real time within the extension of the density functional theory to superfluid systems is an extremely computationally demanding problem, which requires the solutions of a very large system of nonlinear coupled complex partial differential equations in 3+1 coordinates. Similar problems also appear in the case of cold atoms and in the dynamics of the neutron star crust, which have been tackled within the same framework with the same codes, using appropriate initial quasi-particle wave functions and/or an appropriate time-dependent external potential.Solution method: The evolution equations are discretized on a 3-dimensional spatial lattice and propagated in time. Spatial derivatives are evaluated using the fast Fourier transform technique. The propagation in time is performed using a predictor-modifier-corrector algorithm due to Adams-Bashforth-Milne, which requires only two evaluations of the right hand side of the equations per time step. The numerical accuracy of the time integration is ∼O(Δt)6. This method has a low truncation error, excellent numerical stability, and low roundoff errors.Additional comments including restrictions and unusual features: The code has been implemented on a variety of supercomputers (Jaguar, Titan, Piz Daint, Tsubame, Summit, Sierra) and demonstrates excellent scaling properties. The strong scaling capabilities can be significantly affected if a very large number of GPUs is used, when the communication time between processes overtakes the computation time as the dominant run time cost.

Fission in a microscopic framework: From basic science to support for applications

Recent developments, both in theoretical modeling and computational power, have allowed us to make progress on a goal not fully achieved yet in nuclear theory: a microscopic theory of nuclear fission. Even if the complete microscopic description remains a computationally demanding task, the information that can be provided by current calculations can be extremely useful to guide and constrain more phenomenological approaches, which are simpler to implement. First, a microscopic model that describes the real-time dynamics of the fissioning system can justify or rule out some of the approximations. Second, the microscopic approach can be used to obtain trends, e.g., with increasing excitation energy of the fissioning system, or even to compute observables that cannot be otherwise calculated in phenomenological approaches or that can be hindered by the limitations of the method. We briefly present in this contribution the time-dependent superfluid local density approximation (TDSLDA) approach to nuclear fission, approach that has become a very successful theoretical model in many areas of many-body research. The TDSLDA incorporates the effects of the continuum, the dynamics of the pairing field, and the numerical solution is implemented with controlled approximations and negligible numerical errors. The main part of the current contribution will be dedicated to discussing the method, and recent results concerning the fission dynamics. In addition, we present results on the excitation energy sharing between the fragments, which are in agreement with a qualitative conclusions extracted from a limited number of experimental measurements of properties of prompt neutrons.

Multiplicity of scision neutrons from density functional scission dynamics

The time evolution of the nuclear density of the fissioning system 240Pu during the scission process is obtained from the time-dependent superfluid local-density approximation (TDSLDA) to the density functional theory. A nuclear energy density functional based on the Skyrme force Skm* is used. The duration of the scission process Δt as well as the neck radius (rmin) of the ‘just-before scission’ configuration and the minimum separation (dmin) of the inner surfaces of the fragments in the ’immediately-after scission’ configuration were extracted in order to calculate the multiplicity of the scission neutrons (Vsc) using a phenomenological dynamical scission model (DSM). We find that Vsc=1.347, i.e. half of the prompt fission neutrons measured in the reaction 239Pu(nth; f) are released at scission. After scission, the fragments are left excited and with some extra deformation energy (mainly the heavy one). In this way we can account for the evaporation of the other half and for the emission of γ rays.

Small-amplitude collective modes of a finite-size unitary Fermi gas in deformed traps

We have investigated collective breathing modes of a unitary Fermi gas in deformed harmonic traps. The ground state is studied by the Superfluid Local Density Approximation (SLDA) and small-amplitude collective modes are studied by the iterative Quasiparticle Random Phase Approximation (QRPA). The results illustrate the evolutions of collective modes of a small system in traps from spherical to elongated or pancake deformations. For small spherical systems, the influences of different SLDA parameters are significant, and, in particular, a large pairing strength can shift up the oscillation frequency of collective mode. The transition currents from QRPA show that the compressional flow patterns are nontrivial and dependent on the deformation. Finally, the finite size effects are demonstrated to be reasonable when progressing towards larger systems. Our studies indicate that experiments on small and medium systems are valuable for understanding effective interactions in systems with varying sizes and trap deformations.

Low-momentum dynamic structure factor of a strongly interacting Fermi gas at finite temperature: The Goldstone phonon and its Landau damping

We develop a microscopic theory of dynamic structure factor to describe the Bogoliubov-Anderson-Goldstone phonon mode and its damping rate in a strongly interacting Fermi gas at finite temperature. It is based on a density functional approach - the so-called superfluid local density approximation. The accuracy of the theory is quantitatively examined by comparing the theoretical predictions with the recent experimental measurements for the local dynamic structure factor of a nearly homogeneous unitary Fermi gas at low transferred momentum {[}S. Hoinka \textit{et al.}, Nat. Phys. \textbf{13}, 943 (2017){]}, without any free parameters. We calculate the dynamic structure factor as functions of temperature and transferred momentum, and determine the temperature evolution of the phonon damping rate, by considering the dominant decay process of the phonon mode via scatterings off fermionic quasiparticles. These predictions can be confronted with future Bragg scattering experiments on a unitary Fermi gas near the superfluid transition.

Accuracy of Fission Dynamics Within the Time-dependent Superfluid Local Density Approximation

We discuss properties of the method based on time dependent superfluid local density approximation (TDSLDA) within an application to induced fission of 240Pu and surrounding nuclei. Various issues related to accuracy of time evolution and the determination of the properties of fission fragments are discussed.

Towards quantum turbulence in cold atomic fermionic superfluids

Fermionic superfluids provide a new realization of quantum turbulence, accessible to both experiment and theory, yet relevant to phenomena from both cold atoms to nuclear astrophysics. In particular, the strongly interacting Fermi gas realized in cold-atom experiments is closely related to dilute neutron matter in neutron star crusts. Unlike the liquid superfluids 4He (bosons) and 3He (fermions), where quantum turbulence has been studied in laboratory for decades, superfluid Fermi gases stand apart for a number of reasons. They admit a rather reliable theoretical description based on density functional theory called the time-dependent superfluid local density approximation that describes both static and dynamic phenomena. Cold atom experiments demonstrate exquisite control over particle number, spin polarization, density, temperature, and interaction strength. Topological defects such as domain walls and quantized vortices, which lie at the heart of quantum turbulence, can be created and manipulated with time-dependent external potentials, and agree with the time-dependent theoretical techniques. While similar experimental and theoretical control exists for weakly interacting Bose gases, the unitary Fermi gas is strongly interacting. The resulting vortex line density is extremely high, and quantum turbulence may thus be realized in small systems where classical turbulence is suppressed. Fermi gases also permit the study of exotic superfluid phenomena such as the Larkin–Ovchinnikov–Fulde–Ferrell pairing mechanism for polarized superfluids which may give rise to 3D supersolids, and a pseudo-gap at finite temperatures that might affect the regime of classical turbulence. The dynamics associated with these phenomena has only started to be explored. Finally, superfluid mixtures have recently been realized, providing experimental access to phenomena like Andreev–Bashkin entrainment predicted decades ago. Superfluid Fermi gases thus provide a rich forum for addressing phenomena related to quantum turbulence with applications ranging from terrestrial superfluidity to astrophysical dynamics in neutron stars.

Dynamic structure factor of a strongly correlated Fermi superfluid within a density functional theory approach

We theoretically investigate the dynamic structure factor of a strongly interacting Fermi gas at the crossover from Bardeen–Cooper–Schrieffer superfluids to Bose–Einstein condensates, by developing an improved random phase approximation within the framework of a density functional theory (DFT)—the so-called superfluid local density approximation. Compared with the previous random-phase-approximation studies based on the standard Bogoliubov–de Gennes equations, the use of the DFT greatly improves the accuracy of the equation of state at the crossover, and leads to a better description of both collective Bogoliubov-Anderson-Goldstone phonon mode and single-particle fermionic excitations at small transferred momentum. Near unitarity, where the s-wave scattering length diverges, we show that the single-particle excitations start to significantly contribute to the spectrum of dynamic structure factor once the frequency is above a threshold of the energy gap at . The sharp rise in the spectrum at this threshold can be utilized to measure the pairing gap Δ. Together with the sound velocity determined from the phonon branch, the dynamic structure factor provides us some key information of the crossover Fermi superfluid. Our predictions could be examined in experiments with 6Li or 40K atoms using Bragg spectroscopy.

Relativistic Coulomb excitation within the time dependent superfluid local density approximation.

Within the framework of the unrestricted time-dependent density functional theory, we present for the first time an analysis of the relativistic Coulomb excitation of the heavy deformed open shell nucleus (238)U. The approach is based on the superfluid local density approximation formulated on a spatial lattice that can take into account coupling to the continuum, enabling self-consistent studies of superfluid dynamics of any nuclear shape. We compute the energy deposited in the target nucleus as a function of the impact parameter, finding it to be significantly larger than the estimate using the Goldhaber-Teller model. The isovector giant dipole resonance, the dipole pygmy resonance, and giant quadrupole modes are excited during the process. The one-body dissipation of collective dipole modes is shown to lead a damping width Γ(↓)≈0.4 MeV and the number of preequilibrium neutrons emitted has been quantified.

Validating simple dynamical simulations of the unitary Fermi gas

We present a comparison between simulated dynamics of the unitary fermion gas using the superfluid local density approximation (SLDA) and a simplified bosonic model, the extended Thomas Fermi (ETF) with a unitary equation of state. Small amplitude fluctuations have similar dynamics in both theories for frequencies far below the pair breaking threshold and wave vectors much smaller than the Fermi momentum, and the low frequency linear responses match well for surprisingly large wave vectors, even up to the Fermi momentum. For non-linear dynamics such as vortex generation, the ETF provides a semi-quantitative description of SLDA dynamics as long as the fluctuations do not have significant power near the pair breaking threshold, otherwise the dynamics of the ETF cannot be trusted. Nonlinearities in the ETF tends to generate high-frequency fluctuations, and with no normal component to remove this energy from the superfluid, features like vortex lattices cannot relax and crystallize as they do in the SLDA. We present a heuristic diagnostic for validating the reliability of ETF dynamics by considering the approximate conservation of square of the gap: $\int|\Delta|^2$.

Time-Dependent Density Functional Theory and the Real-Time Dynamics of Fermi Superfluids

I describe the time-dependent superfluid local density approximation, which is an adiabatic extension of the density functional theory to superfluid Fermi systems and their real-time dynamics. This new theoretical framework has been used to describe several phenomena in cold atomic gases and nuclear collective motion: excitation of the Higgs modes in strongly interacting Fermi superfluids, generation of quantized vortices, crossing and reconnection of vortices, excitation of the superflow at velocities above the critical velocity, excitation of quantum shock waves and domain walls in the collisions of superfluid atomic clouds, and excitation of collective states in nuclei.

Competition between normal superfluidity and Larkin-Ovchinnikov phases of polarized Fermi gases in elongated traps

By applying the recently proposed antisymmetric superfluid local density approximation (ASLDA) to strongly interacting polarized atomic gases at unitarity in very elongated traps, we find families of Larkin-Ovchinnikov (LO) type of solutions with prominent transversal oscillation of pairing potential. These LO states coexist with a superfluid state having a smooth pairing potential. We suggest that the LO phase could be accessible experimentally by increasing adiabatically the trap aspect ratio. We show that the local asymmetry effects contained in ASLDA do not support a deformed superfluid core predicted by previous Bogoliubov-de Gennes treatments.

Time-dependent density functional theory applied to superfluid nuclei

We describe the response of superfluid nuclei to any external time-dependent probe within an extension of the density functional theory, the time-dependent superfluid local density approximation (TD-SLDA). All quasi-particle wave functions (qpwfs) are represented on a three-dimensional spatial grid to allow for the breaking of all possible symmetries, and subsequently these functions are evolved in time using a high order multi-step algorithm. Mathematically this problem is a system of coupled, time-dependent, nonlinear partial differential equations, which when discretized becomes equivalent to a nonlinear classical mechanics problem with α Nx6 ≈ 1012 degrees of freedom, where Nx is number of spatial mesh points in one direction. The lattice representation of the qpwfs allows for fast and accurate evaluation of various spatial derivatives required for the construction of various physical quantities that appear in the theory. The total number of independent qpwfs is of the order of spatial mesh points, and the system is evolved for tens to hundreds of thousands of time steps. We describe how we implemented the TD-SLDA method and report some of the challenges encountered.

Local-density-functional theory for superfluid fermionic systems: The unitary gas

The first detailed comparison between ab initio calculations of finite fermionic superfluid systems, performed recently by Chang and Bertsch [Phys. Rev. A 76, 021603(R) (2007)] and by von Stecher, Grange, and Blume [e-print arXiv:0705.0671v1] and the extension of the density-functional theory superfluid local-density approximation (SLDA) is presented. It is shown that SLDA reproduces the total energies, number density distributions in inhomogeneous systems along with the energy of the normal state in homogeneous systems. Unlike the Kohn-Sham LDA, in SLDA the effective fermion mass differs from the bare fermion mass and the spectrum of elementary excitations is also reproduced.