Probing computational methodologies in predicting mid-infrared spectra for large polycyclic aromatic hydrocarbons

Monthly Notices of the Royal Astronomical Society 91探花 University Press (OUP) 513:3 (2022) 3663-3681

Authors:

B Kerkeni, I Garc铆a-Bernete, D Rigopoulou, DP Tew, PF Roche, DC Clary

The SAMI Galaxy Survey: the link between [伪/Fe] and kinematic morphology

Monthly Notices of the Royal Astronomical Society 91探花 University Press 513:4 (2022) 5076-5087

Authors:

Peter J Watson, Roger L Davies, Jesse van de Sande, Sarah Brough, Scott M Croom, Francesco D'Eugenio, Karl Glazebrook, Brent Groves, Angel R Lopez-Sanchez, Nicholas Scott, Sam P Vaughan, C Jakob Walcher, Joss Bland-Hawthorn, Julia J Bryant, Michael Goodwin, Jon S Lawrence, Nuria PF Lorente, Matt S Owers, Samuel Richards

Abstract:

We explore a sample of 1492 galaxies with measurements of the mean stellar population properties and the spin parameter proxy, 位Re鈦, drawn from the SAMI Galaxy Survey. We fit a global [伪/Fe]鈥撓 relation, finding that [伪/Fe]=(0.395卤0.010)log10(蟽)鈭(0.627卤0.002)鈦. We observe an anti-correlation between the residuals 螖[伪/Fe] and the inclination-corrected 位eoRe鈦, which can be expressed as 螖[伪/Fe]=(鈭0.057卤0.008)位eoRe+(0.020卤0.003)鈦. The anti-correlation appears to be driven by star-forming galaxies, with a gradient of 螖[伪/Fe]鈭(鈭0.121卤0.015)位eoRe鈦, although a weak relationship persists for the subsample of galaxies for which star formation has been quenched. We take this to be confirmation that disc-dominated galaxies have an extended duration of star formation. At a reference velocity dispersion of 200鈥塳m鈥塻鈭1, we estimate an increase in half-mass formation time from 鈭0.5鈥塆yr to 鈭1.2鈥塆yr from low- to high-位eoRe galaxies. Slow rotators do not appear to fit these trends. Their residual 伪-enhancement is indistinguishable from other galaxies with 位eoRe猹0.4鈦, despite being both larger and more massive. This result shows that galaxies with 位eoRe猹0.4 experience a similar range of star formation histories, despite their different physical structure and angular momentum.

The SAMI Galaxy Survey: The Internal Orbital Structure and Mass Distribution of Passive Galaxies from Triaxial Orbit-superposition Schwarzschild Models

The Astrophysical Journal American Astronomical Society 930:2 (2022) 153

Authors:

Giulia Santucci, Sarah Brough, Jesse van de Sande, Richard M McDermid, Glenn van de Ven, Ling Zhu, Francesco D鈥橢ugenio, Joss Bland-Hawthorn, Stefania Barsanti, Julia J Bryant, Scott M Croom, Roger L Davies, Andrew W Green, Jon S Lawrence, Nuria PF Lorente, Matt S Owers, Adriano Poci, Samuel N Richards, Sabine Thater, Sukyoung Yi

On the viability of determining galaxy properties from observations I: Star formation rates and kinematics

Monthly Notices of the Royal Astronomical Society 91探花 University Press 513:3 (2022) 3906-3924

Authors:

Kearn Grisdale, Laurence Hogan, Dimitra Rigopoulou, Niranjan Thatte, Miguel Pereira-Santaella, Julien Devriendt, Adrianne Slyz, Ismael Garc铆a-Bernete, Yohan Dubois, Sukyoung K Yi, Katarina Kraljic

Abstract:

We explore how observations relate to the physical properties of the emitting galaxies by post-processing a pair of merging z 鈭 2 galaxies from the cosmological, hydrodynamical simulation NEWHORIZON, using LCARS (Light from Cloudy Added to RAMSES) to encode the physical properties of the simulated galaxy into H 伪 emission line. By carrying out mock observations and analysis on these data cubes, we ascertain which physical properties of the galaxy will be recoverable with the HARMONI spectrograph on the European Extremely Large Telescope (ELT). We are able to estimate the galaxy鈥檚 star formation rate and dynamical mass to a reasonable degree of accuracy, with values within a factor of 1.81 and 1.38 of the true value. The kinematic structure of the galaxy is also recovered in mock observations. Furthermore, we are able to recover radial profiles of the velocity dispersion and are therefore able to calculate how the dynamical ratio varies as a function of distance from the galaxy centre. Finally, we show that when calculated on galaxy scales the dynamical ratio does not always provide a reliable measure of a galaxy鈥檚 stability against gravity or act as an indicator of a minor merger.

Probing computational methodologies in predicting mid-infrared spectra for large polycyclic aromatic hydrocarbons

Monthly Notices of the Royal Astronomical Society 91探花 University Press 513:3 (2022) 3663-3681

Authors:

Bouthena Kerkeni, Dimitra Rigopoulou, Ismael Garcia-Bernete, D Tew, Patrick Roche, D Clary

Abstract:

We extend the prediction of vibrational spectra to large sized polycyclic aromatic hydrocarbon (PAH) molecules comprising up to 鈭1500 carbon atoms by evaluating the efficiency of several computational chemistry methodologies. We employ classical mechanics methods (Amber and Gaff) with improved atomic point charges, semi-empirical (PM3, and density functional tight binding), and density functional theory (B3LYP) and conduct global optimizations and frequency calculations in order to investigate the impact of PAH size on the vibrational band positions. We primarily focus on the following mid-infrared emission bands 3.3, 6.2, 7.7, 8.6, 11.3, 12.7, and 17.0 渭m. We developed a general Frequency Scaling Function (鈦燜SF鈦) to shift the bands and to provide a systematic comparison versus the three methods for each PAH. We first validate this procedure on IR scaled spectra from the NASA Ames PAH Database, and extend it to new large PAHs. We show that when the FSF is applied to the Amber and Gaff IR spectra, an agreement between the normal mode peak positions with those inferred from the B3LYP/4-31G model chemistry is achieved. As calculations become time intensive for large sized molecules Nc > 450, this proposed methodology has advantages. The FSF has enabled extending the investigations to large PAHs where we clearly see the emergence of the 17.0 渭m feature, and the weakening of the 3.3 渭m one. We finally investigate the trends in the 3.3 渭m/17.0 渭m PAH band ratio as a function of PAH size and its response following the exposure to fields of varying radiation intensities.