اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدA Large-scale Approach to Modelling Molecular Biosignatures: The Diatomics
78
0
0.0
(
0
)
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
This work presents the first steps to modelling synthetic rovibrational spectra for all molecules of astrophysical interest using the new code Prometheus. The goal is to create a new comprehensive source of first-principles molecular spectra, thus bridging the gap for missing data to help drive future high-resolution studies. Our primary application domain is on molecules identified as signatures of life in planetary atmospheres (biosignatures). As a starting point, in this work we evaluate the accuracy of our method by studying the diatomics molecules H$_2$, O$_2$, N$_2$ and CO, all of which have well-known spectra. Prometheus uses the Transition-Optimised Shifted Hermite (TOSH) theory to account for anharmonicity for the fundamental $ u=0 rightarrow u=1$ band, along with thermal profile modeling for the rotational transitions. We present a novel new application of the TOSH theory with regards to rotational constants. Our results show that this method can achieve results that are a better approximation than the ones produced through the basic harmonic method. We discuss the current limitations of our method. In particular, we compare our results with high-resolution HITRAN spectral data. We find that modelling accuracy tends to diminish for rovibrational transition away from the band origin, thus highlighting the need for the theory to be further adapted.
قيم البحث
اقرأ أيضاً
A convenient representation of the structure of the large-scale galactic magnetic field is required for the interpretation of polarization data in the sub-mm and radio ranges, in both the Milky Way and external galaxies. We develop a simple and flexi
ble approach to construct parametrised models of the large-scale magnetic field of the Milky Way and other disc galaxies, based on physically justifiable models of magnetic field structure. The resulting models are designed to be optimised against available observational data. Representations for the large-scale magnetic fields in the flared disc and spherical halo of a disc galaxy were obtained in the form of series expansions whose coefficients can be calculated from observable or theoretically known galactic properties. The functional basis for the expansions is derived as eigenfunctions of the mean-field dynamo equation or of the vectorial magnetic diffusion equation. The solutions presented are axially symmetric but the approach can be extended straightforwardly to non-axisymmetric cases. The magnetic fields are solenoidal by construction, can be helical, and are parametrised in terms of observable properties of the host object, such as the rotation curve and the shape of the gaseous disc. The magnetic field in the disc can have a prescribed number of field reversals at any specified radii. Both the disc and halo magnetic fields can separately have either dipolar or quadrupolar symmetry. The model is implemented as a publicly available software package GalMag which allows, in particular, the computation of the synchrotron emission and Faraday rotation produced by the models magnetic field. The model can be used in interpretations of observations of magnetic fields in the Milky Way and other spiral galaxies, in particular as a prior in Bayesian analyses. (Abridged.)
Galactic microlensing datasets now comprise in excess of $10^4$ events, and with the advent of next generation microlensing surveys that may be undertaken with facilities such as the Rubin Observatory (formerly LSST) and Roman Space Telescope (former
ly WFIRST), this number will increase significantly. So too will the fraction of events with measurable higher order information such as finite source effects and lens-source relative proper motion. Analysing such data requires a more sophisticated Galactic microlens modeling approach. We present a new second-generation Manchester-Besanc{c}on Microlensing Simulator (MaB$mu$lS-2), which uses a version of the Besanc{c}on population synthesis Galactic model that provides good agreement with stellar kinematics observed by HST towards the bulge. MaB$mu$lS-2 provides high-fidelity signal-to-noise limited maps of the microlensing optical depth, rate and average timescale towards a 400 sq. degree region of the Galactic bulge in several optical to near-infrared pass-bands. The maps take full account of the unresolved stellar background as well as limb-darkened source profiles. Comparing MaB$mu$lS-2 to the efficiency-corrected OGLE-IV 8,000 event sample shows a much improved agreement over the previous version of MaB$mu$lS, and succeeds in matching even small-scale structural features in the OGLE-IV event rate map. However, there remains evidence for a small under-prediction in the event rate per source and over-prediction in timescale. MaB$mu$lS-2 is available online (<www.mabuls.net>) to provide on-the-fly maps for user supplied cuts in survey magnitude, event timescale and relative proper motion.
We present a numerical framework for the variability of active galactic nuclei (AGN), which links the variability of AGN over a broad range of timescales and luminosities to the observed properties of the AGN population as a whole, and particularly t
he Eddington ratio distribution function (ERDF). We have implemented our framework on GPU architecture, relying on previously published time series generating algorithms. After extensive tests that characterise several intrinsic and numerical aspects of the simulations, we describe some applications used for current and future time domain surveys and for the study of extremely variable sources (e.g., changing look or flaring AGN). Specifically, we define a simulation setup which reproduces the AGN variability observed in the PTF/iPTF survey, and use it to forward model longer light curves of the kind that may be observed within the LSST main survey. Thanks to our effcient implementations, these simulations are able to cover for example over 1 Myr with a roughly weekly cadence. We envision that this framework will become highly valuable to prepare for, and best exploit, data from upcoming time domain surveys, such as for example LSST.
The forecast of the time of arrival of a coronal mass ejection (CME) to Earth is of critical importance for our high-technology society and for any future manned exploration of the Solar System. As critical as the forecast accuracy is the knowledge o
f its precision, i.e. the error associated to the estimate. We propose a statistical approach for the computation of the time of arrival using the drag-based model by introducing the probability distributions, rather than exact values, as input parameters, thus allowing the evaluation of the uncertainty on the forecast. We test this approach using a set of CMEs whose transit times are known, and obtain extremely promising results: the average value of the absolute differences between measure and forecast is 9.1h, and half of these residuals are within the estimated errors. These results suggest that this approach deserves further investigation. We are working to realize a real-time implementation which ingests the outputs of automated CME tracking algorithms as inputs to create a database of events useful for a further validation of the approach.
This article presents a new method to compute matrices from numerical simulations based on the ideas of sparse sampling and compressed sensing. The method is useful for problems where the determination of the entries of a matrix constitutes the compu
tational bottleneck. We apply this new method to an important problem in computational chemistry: the determination of molecular vibrations from electronic structure calculations, where our results show that the overall scaling of the procedure can be improved in some cases. Moreover, our method provides a general framework for bootstrapping cheap low-accuracy calculations in order to reduce the required number of expensive high-accuracy calculations, resulting in a significant 3x speed-up in actual calculations.
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
