Twist-averaged boundary conditions for nuclear pasta Hartree-Fock calculations

TL;DR

This paper explores the use of twist-averaged boundary conditions (TABC) in nuclear pasta simulations to reduce finite-size effects, enabling more accurate quantum-mechanical modeling of complex neutron star crust phases.

Contribution

It introduces and benchmarks TABC within nuclear density functional theory for nuclear pasta, demonstrating its effectiveness in improving simulation accuracy in small volumes.

Findings

TABC reduces finite-size effects in nuclear pasta simulations.

Reliable results can be obtained in smaller computational volumes.

Insights into pasta phase energies and structures are gained.

Abstract

Background: Nuclear pasta phases, present in the inner crust of neutron stars, are associated with nucleonic matter at sub-saturation densities arranged in regular shapes. Those complex phases, residing in a layer which is approximately 100 m thick, impact many features of neutron stars. Theoretical quantum-mechanical simulations of nuclear pasta are usually carried out in finite 3D boxes assuming periodic boundary conditions (PBC). The resulting solutions are affected by spurious finite-size effects. Purpose: In order to remove spurious finite-size effects, it is convenient to employ twist-averaged boundary conditions (TABC) used in condensed matter, nuclear matter, and lattice QCD applications. In this work, we study the effectiveness of TABC in the context of pasta phases simulations within nuclear density functional theory. Methods: We perform Skyrme-Hartree-Fock calculations in three dimensions by implementing Bloch boundary conditions. The TABC averages are obtained by means of Gauss-Legendre integration over twist angles. Results: We benchmark the TABC for a free nucleonic gas and apply it to simple cases such as the rod and slab phases, as well as to more elaborate P-surface and gyroidal phases. Conclusions: We demonstrate that by applying TABC reliable results can be obtained from calculations performed in relatively small volumes. By studying various contributions to the total energy, we gain insights into pasta phases in mid-density range.