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Connor P. Ballance

Publications and source records attributed to Connor P. Ballance.

17 recordsLinked to original sources

Strontium and helium in the kilonova AT2017gfo: Origin of the 1{\mu}m feature constrained via NLTE calculations

Mergers of neutron stars are believed to be one of the primary sites for the synthesis of the universe's heavy elements via the rapid neutron capture process. AT2017gfo, the kilonova following GW170817 provided the first direct spectroscopic evidence of the $r$-process happening in the universe. A prominent line feature near $1\,\mu$m in its spectrum was attributed to strontium -- a claim that has been independently recovered by several teams. However, in recent years it has been debated whether the feature arises instead from helium. Here, we present non--local thermodynamic equilibrium (NLTE) radiative transfer modelling of the observed kilonova spectra, including detailed radiation-matter interaction physics for both strontium and helium. We make use of freshly calculated strontium atomic data for e$^-$ impact collisions, photoionization, and recombination processes. Our strontium model self-consistently reproduces the temporal evolution of the $1\,\mu$m feature at early times, with its absence at $0.92\,$days to its clear emergence at $1.17\,$days. This transition mimics LTE, because at early epochs ($t\lesssim 1.5\,$days) the radiation field dominates the ionization state of the ejecta over thermal and non-thermal electron collisions. We further test if helium can form the feature under the same plasma conditions. The helium mass required at $1.17\,$days is comparable to the total ejecta mass, while a few percent by mass of helium suffices at 4.4 days. On the other hand, the strength of the strontium lines decrease with time, and may require a radially stratified abundance to consistently produce the feature. We conclude that strontium is required to explain the onset of the feature at early times, but helium can contribute to, or even dominate the feature at later epochs.

astro-ph.HE

Electron impact excitation of Te IV and V and Level Resolved R-matrix Photoionization of Te I - IV with application to modelling of AT2017gfo

Spectral modelling of kilonovae (KNe) require large amounts of collisional excitation and photoionization atomic data for lowly ionised (neutral, singly and doubly ionised) species of heavy elements. Much of the data currently used is calculated using approximate hydrogenic results or adopts semi-empirical formulae. We present atomic data for ions of tellurium (Te) computed using the well-known $R$-matrix method. Results will also be presented for radiative and thermal collisions of Te IV and V, for which the required atomic data are also typically limited in the literature. The Multi-Configuration-Dirac-Hartree-Fock (MCDHF) method is used to produce model atomic structures and radiative rates. These model structures are then used to calculate electron-impact-excitation and photoionization cross-sections. The resulting excitation and radiative rates are further used in a collisional radiative model to produce synthetic spectra, which are compared with observations. We also investigate the possibility of Te IV contributing to the 1.08 $\mu$m emission feature in the mid-epochs of AT2017gfo alongside the established P-Cygni feature of Sr II.

astro-ph.HE

New Level Resolved Ground and Excited State Pb III, IV, V & VI Photoionization Cross Sections for Heavy Metal Subdwarf Modeling

High abundances of various lead (Pb) species have been identified in the spectra of many Asymptotic Giant Branch (AGB) stars and O- and B-type subdwarfs (sdO/B). Additional atomic data relating to Pb, and in particular photoionization cross sections, are needed to allow a greater understanding of the origin of these observed Pb abundances, and hence discern the evolutionary pathway of these stars. We have calculated level-resolved photoionization cross sections for Pb III, IV, V and VI. Four new target structures have been developed with the General Relativistic Atomic Structure Package (GRASP0), whose corresponding energy levels, Einstein A-coefficients and oscillator strengths have been found to be in good agreement with previous experimental and theoretical sources. The photoionization cross sections calculated using the Dirac Atomic R-matrix Codes (DARC) are available in TOPBASE format, and follow the trends expected for an isonuclear series. These new Pb data sets will now allow for the modelling of Pb abundances and line opacities under Non-Local Thermodynamic Equilibrium (non-LTE) conditions. Using the helium-rich hot subdwarf EC 22536-5304 as a test case, we show that there are noticeable differences in the Pb line profiles across the ultraviolet and optical wavelength regions under LTE and non-LTE conditions. There is both depletion and enrichment of individual Pb species. This highlights the importance of applying non-LTE conditions when modelling EC 22536-5304, as well as other O/B-type stars.

astro-ph.SR

Strontium I, III, IV and V: Electron Impact Excitation Data for Kilonovae and White Dwarf Diagnostic Applications

Strontium (Sr) emissions have been observed across a wide range of astrophysical phenomena, from kilonovae (KNe) events to white dwarf (WD) stars. Precise and extensive atomic data for low ionisation stages of Sr is required for accurate theoretical modelling and to improve our understanding of evolutionary pathways. We calculated energy levels, Einstein A coefficients and electron-impact excitation collision strengths for Sr I, Sr III, Sr IV and Sr V at the temperature and density ranges of interest in KNe and WD research. We developed new target structures using the GRASP0 and AUTOSTRUCTURE packages. The energies and A-values arising from the new structures were found to be in good agreement with experimental and theoretical equivalents reported in the literature. Maxwellian averaged electron impact collision strengths were calculated using the R-matrix approach, as applied through the DARC and RMBP coding packages. These are presented in adf04 file format. The new data sets allowed us to construct synthetic spectra for the first five ionisation stages of Sr and probe possible density and temperature diagnostic lines. The synthetic spectra within the KNe regime revealed possible Sr IV and Sr V candidate lines at 1027.69nm and 1203.35nm respectively. These may provide useful benchmarks for determining the extent of Sr ionisation that can be reached in an evolving KNe event. Additional diagnostic lines were found to be poor across the Sr ion stages for both KNe and WD regimes due to most levels being in either coronal or Local Thermodynamic Equilibrium (LTE) conditions.

astro-ph.SR

On the use of the Axelrod formula for thermal electron collisions in Astrophysical Modelling

The Axelrod approximation is widely used in astrophysical modelling codes to evaluate electron-impact excitation effective collision strengths for forbidden transitions. Approximate methods such as this are a necessity for many heavy elements with open shells where collisional data is either non existent or sparse as the use of more robust methods prove prohibitively expensive. Atomic data for such forbidden transitions are essential for producing full collisional radiative models that do not assume Local-Thermodynamic-Equilibrium (LTE). In this short work we repeat the optimization of the simple Axelrod formula for a large number of $R$-matrix data sets, ranging from Fe and Ni to the first r-process peak elements of Sr, Y and Zr, to higher Z systems Te, W, Pt and Au. We show that the approximate treatment of forbidden transitions can be a significant source of inaccuracy in such collisional radiative models. We find a large variance of the optimized coefficients for differing systems and charge states, although some general trends can be seen based on the orbital structure of the ground-state-configurations. These trends could potentially inform better estimates for future calculations for elements where $R$-matrix data is not available.

astro-ph.HE

Collisional and Radiative Data for Tellurium ions in Kilonovae modelling and Laboratory Benchmarks

Tellurium is a primary candidate for the identification of the 2.1 $μ$m emission line in kilonovae (KNe) spectra AT2017gfo and GRB230307A. Despite this, there is currently an insufficient amount of atomic data available for this species. We calculate the required atomic structure and collisional data, particularly the data required for accurate Non-Local-Thermodynamic-Equilibrium (NLTE) modelling of the low temperatures and densities in KNe. We use a Multi-Configurational-Dirac-Hartree-Fock method to produce optimised one-electron orbitals for Te {\sc i}-{\sc iii}. As a result energy levels and Einstein A-coefficients for Te {\sc i}-{\sc iii} have been calculated. These orbitals are then employed within Dirac $R$-matrix collision calculations to provide electron-impact-excitation collision strengths that were subsequently averaged according to a thermal Maxwellian distribution. Subsequent \textsc{tardis} simulations using this new atomic data reveal no significant changes to the synthetic spectra due to the very minor contribution of Te at early epochs. NLTE simulations with the ColRadPy package reveal optically thin spectra consistent with the increasing prominence of the Te {\sc iii} 2.1 $μ$m line as the KNe ejecta cools. This is reinforced by the estimation of luminosities at nebular KNe conditions. New line ratios for both observation and laboratory benchmarks of the atomic data are proposed.

astro-ph.SR

Effect of Systematic Uncertainties on Density and Temperature Estimates in Coronae of Capella

We estimate the coronal density of Capella using the O VII and Fe XVII line systems in the soft X-ray regime that have been observed over the course of the Chandra mission. Our analysis combines measures of error due to uncertainty in the underlying atomic data with statistical errors in the Chandra data to derive meaningful overall uncertainties on the plasma density of the coronae of Capella. We consider two Bayesian frameworks. First, the so-called pragmatic-Bayesian approach considers the atomic data and their uncertainties as fully specified and uncorrectable. The fully-Bayesian approach, on the other hand, allows the observed spectral data to update the atomic data and their uncertainties, thereby reducing the overall errors on the inferred parameters. To incorporate atomic data uncertainties, we obtain a set of atomic data replicates, the distribution of which captures their uncertainty. A principal component analysis of these replicates allows us to represent the atomic uncertainty with a lower-dimensional multivariate Gaussian distribution. A $t$-distribution approximation of the uncertainties of a subset of plasma parameters including a priori temperature information, obtained from the temperature-sensitive-only Fe XVII spectral line analysis, is carried forward into the density- and temperature-sensitive O VII spectral line analysis. Markov Chain Monte Carlo based model fitting is implemented including Multi-step Monte Carlo Gibbs Sampler and Hamiltonian Monte Carlo. Our analysis recovers an isothermally approximated coronal plasma temperature of $\approx$5 MK and a coronal plasma density of $\approx$10$^{10}$ cm$^{-3}$, with uncertainties of 0.1 and 0.2 dex respectively.

astro-ph.SR

Constraints on the presence of platinum and gold in the spectra of the kilonova AT2017gfo

Binary neutron star mergers are thought to be one of the dominant sites of production for rapid neutron capture elements, including platinum and gold. Since the discovery of the binary neutron star merger GW170817, and its associated kilonova AT2017gfo, numerous works have attempted to determine the composition of its outflowing material, but they have been hampered by the lack of complete atomic data. Here, we demonstrate how inclusion of new atomic data in synthetic spectra calculations can provide insights and constraints on the production of the heaviest elements. We employ theoretical atomic data (obtained using GRASP$^0$) for neutral, singly- and doubly-ionised platinum and gold, to generate photospheric and simple nebular phase model spectra for kilonova-like ejecta properties. We make predictions for the locations of strong transitions, which could feasibly appear in the spectra of kilonovae that are rich in these species. We identify low-lying electric quadrupole and magnetic dipole transitions that may give rise to forbidden lines when the ejecta becomes optically thin. The strongest lines lie beyond $8000\,Å$, motivating high quality near-infrared spectroscopic follow-up of kilonova candidates. We compare our model spectra to the observed spectra of AT2017gfo, and conclude that no platinum or gold signatures are prominent in the ejecta. From our nebular phase modelling, we place tentative upper limits on the platinum and gold mass of $\lesssim$ a few $10^{-3}\,\rm{M}_{\odot}$, and $\lesssim 10^{-2}\,\rm{M}_{\odot}$, respectively. This work demonstrates how new atomic data of heavy elements can be included in radiative transfer calculations, and motivates future searches for elemental signatures.

astro-ph.HE

Polarization control of high-harmonic generation via the spin-orbit interaction

We observe the generation of high harmonics in the plane perpendicular to the driving laser polarization and show that these are driven by the spin-orbit interaction. Using R-Matrix with time-dependence theory, we demonstrate that for certain initial states either circularly- or linearly- polarized harmonics arise via well-known selection rules between atomic states controlled by the spin-orbit interaction. Finally, we elucidate the connection between the observed harmonics and the phase of the intial state.

physics.atom-ph

Resolving Ultra-Fast Spin-Orbit Dynamics in Heavy Many-Electron Atoms

We use R-Matrix with Time-dependence (RMT) theory, with spin-orbit effects included, to study krypton irradiated by two time-delayed XUV ultrashort pulses. The first pulse excites the atom to 4s$^{2}$4p$^{5}$5s. The second pulse then excites 4s4p$^{6}$5s autoionising levels, whose population can be observed through their subsequent decay. By varying the time delay between the two pulses, we are able to control the excitation pathway to the autoionising states. The use of cross-polarised light pulses allows us to isolate the two-photon pathway, with one photon taken from each pulse.

physics.atom-ph

Spectroscopic diagnostics of low-ionized iron-peak elements. Electron-impact excitation of Ni$^{3+}$ and photoionisation of Ni$^{2+}$

The spectra from Fe-peak elements may be used to determine the temperature and density of various astrophysical objects. Determination of these quantities is underpinned by the accuracy and the comprehensiveness of the underlying atomic structure and collisional calculations. In the following paper, we shall focus specifically on Ni IV lines associated with transitions amongst several low-lying levels. We shall employ modified versions of the parallel Dirac R-matrix codes, considering both electron-impact excitation of Ni$^{3+}$ and the photoionisation of both the ground and excited states of Ni$^{2+}$. We produce high-quality data sets for both processes, and using these data, we calculate line ratios relevant for plasma diagnostics of temperature and density.

astro-ph.IM

Emission line ratios of Fe III as astrophysical plasma diagnostics

Recent state-of-the-art calculations of A-values and electron impact excitation rates for Fe III are used in conjunction with the Cloudy modeling code to derive emission line intensity ratios for optical transitions among the fine-structure levels of the 3d$^6$ configuration. A comparison of these with high resolution, high signal-to-noise spectra of gaseous nebulae reveals that previous discrepancies found between theory and observation are not fully resolved by the latest atomic data. Blending is ruled out as a likely cause of the discrepancies, because temperature- and density-independent ratios (arising from lines with common upper levels) match well with those predicted by theory. For a typical nebular plasma with electron temperature $T_{\rm e} = 9000$ K and electron density $\rm N_{e}=10^4 \, cm^{-3}$, cascading of electrons from the levels $\rm ^3G_5$, $\rm ^3G_4$ and $\rm ^3G_3$ plays an important role in determining the populations of lower levels, such as $\rm ^3F_4$, which provide the density diagnostic emission lines of Fe III, such as $\rm ^5D_4$ - $\rm ^3F_4$ at 4658 Å. Hence further work on the A-values for these transitions is recommended, ideally including measurements if possible. However, some Fe III ratios do provide reliable $N_{\rm e}$-diagnostics, such as 4986/4658. The Fe III cooling function calculated with Cloudy using the most recent atomic data is found to be significantly greater at $T_e$ $\simeq$ 30000 K than predicted with the existing Cloudy model. This is due to the presence of additional emission lines with the new data, particularly in the 1000--4000 Å wavelength region.

astro-ph.GA

PAMOP: Petascale Atomic, Molecular and Optical Collision Calculations

Petaflop architectures are currently being utilized efficiently to perform large scale computations in Atomic, Molecular and Optical Collisions. We solve the Schrödinger or Dirac equation for the appropriate collision problem using the R-matrix or R-matrix with pseudo-states approach. We briefly outline the parallel methodology used and implemented for the current suite of Breit-Pauli and DARC codes. In this report, various examples are shown from our theoretical results compared with experimental results obtained from Synchrotron Radiation facilities where the Cray architecture at HLRS is playing an integral part in our computational projects.

physics.atom-ph

Petascale computations for Large-scale Atomic and Molecular collisions

Petaflop architectures are currently being utilized efficiently to perform large scale computations in Atomic, Molecular and Optical Collisions. We solve the Schroedinger or Dirac equation for the appropriate collision problem using the R-matrix or R-matrix with pseudo-states approach. We briefly outline the parallel methodology used and implemented for the current suite of Breit-Pauli and DARC codes. Various examples are shown of our theoretical results compared with those obtained from Synchrotron Radiation facilities and from Satellite observations. We also indicate future directions and implementation of the R-matrix codes on emerging GPU architectures.

cs.DC

Photoionization, fluorescence, and inner-shell processes

Major advances in state-of-the-art theoretical methods coupled with advances in computational architectures have opened the doorway to large-scale computations on elements across the periodic table, allowing the inclusion of fully relativistic effects. Whenever possible results have been benchmarked against high resolution measurements obtained from either synchrotron radiation facilities or satellite observations. Various stages of ionization, necessary for the many applications in astrophysics, can be studied in the absence of experimental values to obtain the necessary data. A simple review is presented of photoionization, fluorescence and inner-shell processes recently investigated.

astro-ph.HE

Photoionization Cross-Sections for the trans-iron element Se$^+$ from 18 eV to 31 eV

Absolute photoionization cross-section calculations are presented for Se$^+$ using large-scale close-coupling calculations within the Breit-Pauli and Dirac-Coulomb R-matrix approximations. The results from our theoretical work are compared with recent measurements made at the Advanced Light Source (ALS) radiation facility in Berkeley, California, USA. We report on results for the photon energy range 18.0 eV -- 31.0 eV, which spans the ionization thresholds of the $\rm ^4S^o_{3/2}$ ground state and the low-lying $\rm ^2D^o_{5/2,3/2}$ and $\rm ^2P^o_{3/2,1/2}$ metastable states. Metastable fractions are inferred from our present work. Resonance energies and quantum defects of the prominent Rydberg resonances series identified in the spectra are compared for the $\rm 4p \rightarrow nd$ transitions with the recent ALS experimental measurements made on this complex trans-iron element.

astro-ph.EP

Atomic data and spectral model for Fe III

We present new atomic data (radiative transitions rates and collision strengths) from large scale calculations and a non-LTE spectral model for Fe III. This model is in very good agreement with observed astronomical emission spectra, in contrast with previous models that yield large discrepancies with observations. The present atomic computations employ a combination of atomic physics methods, e.g. relativistic Hatree-Fock, the Thomas-Fermi-Dirac potential, and Dirac-Fock computation of A-values and R-matrix with intermediate coupling frame transformation and Dirac R-matrix. We study the advantages and shortcomings of each method. It is found that the Dirac R-matrix collision strengths yield excellent agreement with observations, much improved over previously available models. By contrast, the transformation of LS-coupling R-matrix fails to yield accurate effective collision strengths at around 10^4 K, despite using very large configuration expansions, due to the limited treatment of spin-orbit effects in the near threshold resonances of the collision strengths. The present work demonstrates that accurate atomic data for low ionization iron-peak species is now within reach.

physics.atom-ph