Linking Solid-State Astronomical Observations And Gas-Grain Models To Laboratory Data
Lead Research Organisation:
The Open University
Department Name: Physical Sciences
Abstract
In the regions of space where stars and planets form, chemistry also happens. In fact, molecules are a paramount tool in astronomy to enable us to extract the chemical and physical conditions in such regions, and therefore say something about how the processes of star and planet formation happen.
Many of these molecules are generated through reactions in so-called ices, molecules that have frozen out onto the surfaces of small carbonaceous and silcaceous dust grains during the earliest stages of star-formation. As these astronomical regions evolve, the ices are processed, by heat and star-light, or even interaction with more atoms and molecules, until complex chemicals form. As the stars first start "shining" most of the ice material is converted back into gas, and we can then spot all these complex chemical species in the gas-phase using ground- and space-based telescopes such as ALMA, Herschel and IRAM.
A key question for astronomers is to understand which molecules are present in star-forming regions and how much of each molecule is there, and to explain the answers. The explanations rely on us understanding all the chemical and physical processes occurring, which is almost impossible. Instead, we can make exceptionally good guesses, by combining controlled laboratory experiments which tell us about the chemistry ices undergo, with observations where we can spectroscopically identify icy material, or gas-phase molecules, and models, which provide a vital missing link between the two - taking laboratory data and using it to explain observations, or taking observational constrains and testing chemical processes against those observed in controlled conditions.
Astronomers therefore have key molecular data needs. Observers need laboratory spectra which can be compared with observations to extract information regarding the chemical constituents of ice in star-forming regions; modellers need constraints on which ice constituents to start their modelling process from, and then descriptions of all the chemical processes these ices undergo - data which can only be provided by laboratory experiments. This means that all research in this field is reliant on good quality, validated chemical reaction data and ice spectra.
The aim of our proposal is threefold (a) to provide an open-source python library of astronomical software to astronomers which takes laboratory spectra of ices in whatever format and converts it to a form where the data can be compared with observations, and then uses these data to extract the ice constituents (b) input the constraints on ice constituents determined from observation (using lab data) into statistical models that can identify the key physical and chemical parameters that must have existed for such ices to evolve, generating a 'plug-in' programme to execute this for other modelling users and (c) link ice constituents and chemical conditions back to gas-phase species detected in star-forming regions.
In addition, the project will allow us scope to identify where key laboratory data is currently missing from the needs identified by observers and modellers, and initiate the process to add this data to pan-European efforts on spectra and chemical reaction databases which are then validated and standardised for broader use in the scientific community.
Many of these molecules are generated through reactions in so-called ices, molecules that have frozen out onto the surfaces of small carbonaceous and silcaceous dust grains during the earliest stages of star-formation. As these astronomical regions evolve, the ices are processed, by heat and star-light, or even interaction with more atoms and molecules, until complex chemicals form. As the stars first start "shining" most of the ice material is converted back into gas, and we can then spot all these complex chemical species in the gas-phase using ground- and space-based telescopes such as ALMA, Herschel and IRAM.
A key question for astronomers is to understand which molecules are present in star-forming regions and how much of each molecule is there, and to explain the answers. The explanations rely on us understanding all the chemical and physical processes occurring, which is almost impossible. Instead, we can make exceptionally good guesses, by combining controlled laboratory experiments which tell us about the chemistry ices undergo, with observations where we can spectroscopically identify icy material, or gas-phase molecules, and models, which provide a vital missing link between the two - taking laboratory data and using it to explain observations, or taking observational constrains and testing chemical processes against those observed in controlled conditions.
Astronomers therefore have key molecular data needs. Observers need laboratory spectra which can be compared with observations to extract information regarding the chemical constituents of ice in star-forming regions; modellers need constraints on which ice constituents to start their modelling process from, and then descriptions of all the chemical processes these ices undergo - data which can only be provided by laboratory experiments. This means that all research in this field is reliant on good quality, validated chemical reaction data and ice spectra.
The aim of our proposal is threefold (a) to provide an open-source python library of astronomical software to astronomers which takes laboratory spectra of ices in whatever format and converts it to a form where the data can be compared with observations, and then uses these data to extract the ice constituents (b) input the constraints on ice constituents determined from observation (using lab data) into statistical models that can identify the key physical and chemical parameters that must have existed for such ices to evolve, generating a 'plug-in' programme to execute this for other modelling users and (c) link ice constituents and chemical conditions back to gas-phase species detected in star-forming regions.
In addition, the project will allow us scope to identify where key laboratory data is currently missing from the needs identified by observers and modellers, and initiate the process to add this data to pan-European efforts on spectra and chemical reaction databases which are then validated and standardised for broader use in the scientific community.
Planned Impact
The main aim of this programme is to provide observers and modellers with easy access to laboratory data pertaining to the molecular ices that play a fundamental role in the chemical evolution of star-forming regions. We aim to provide user-friendly interfaces that can be used to constrain ice constituents along any archival site-line where ice is observed, and make such programmes open-source, therefore freely available to the wider astronomy community.
We can divide the beneficiaries in three categories:
(1) the astrochemistry community, as explained under 'Academic beneficiaries'. In summary, (i) observer of ices in the infrared (e.g. with Spitzer for example) will be able to use our tool to determine the constituents of each band they observe. (ii) astrochemical modellers will have access to the statistical astrochemical packages to match the observed data with the best-fit astrochemical models.
(2) the astronomy community en large: the software tool to analyse ice data will be general enough that those studying ices in other regions of space (e.g. comets) will also be able to use it.
(3) Agencies/regulators/industries: the tools such as the ones we propose to make during this project are a step forward towards the building of an infrastructure that recognizes that Astronomy is now a 'Big Data' science. While the scope of this project is limited due to its timescale, we envisage this program as kick-starting a European-wide effort to build a suite of tools able to treat and analyse large sets of data and, most importantly, make the processed data open source.
We can divide the beneficiaries in three categories:
(1) the astrochemistry community, as explained under 'Academic beneficiaries'. In summary, (i) observer of ices in the infrared (e.g. with Spitzer for example) will be able to use our tool to determine the constituents of each band they observe. (ii) astrochemical modellers will have access to the statistical astrochemical packages to match the observed data with the best-fit astrochemical models.
(2) the astronomy community en large: the software tool to analyse ice data will be general enough that those studying ices in other regions of space (e.g. comets) will also be able to use it.
(3) Agencies/regulators/industries: the tools such as the ones we propose to make during this project are a step forward towards the building of an infrastructure that recognizes that Astronomy is now a 'Big Data' science. While the scope of this project is limited due to its timescale, we envisage this program as kick-starting a European-wide effort to build a suite of tools able to treat and analyse large sets of data and, most importantly, make the processed data open source.
Organisations
Publications
Liu T
(2018)
The TOP-SCOPE Survey of Planck Galactic Cold Clumps: Survey Overview and Results of an Exemplar Source, PGCC G26.53+0.17
in The Astrophysical Journal Supplement Series
Mashonkina L
(2016)
DIVISION B COMMISSION 14: ATOMIC AND MOLECULAR DATA
in Proceedings of the International Astronomical Union
Mashonkina L
(2015)
DIVISION XII: COMMISSION 14: ATOMIC AND MOLECULAR DATA
in Proceedings of the International Astronomical Union
Mashonkina Lyudmila
(2015)
Atomic and Molecular Data: Division B / Commission 14
in arXiv e-prints
McClure Melissa
(2017)
IceAge: Chemical Evolution of Ices during Star Formation
in JWST Proposal ID 1309. Cycle 0 Early Release Science
McClure Melissa K.
(2018)
The IceAge ERS Program: Probing Building blocks of Life During the JWST Era
in American Astronomical Society Meeting Abstracts #232
Noble J
(2017)
Two-dimensional ice mapping of molecular cores
in Monthly Notices of the Royal Astronomical Society
Pascual Natalia
(2015)
Amorphous Silica- and Carbon- rich nano-templated surfaces as model interstellar dust surfaces for laboratory astrochemistry
in IAU General Assembly
Perotti G
(2020)
Linking ice and gas in the Serpens low-mass star-forming region
in Astronomy & Astrophysics
Perotti G.
(2020)
Same, but different: the link between methanol gas and ice
in American Astronomical Society Meeting Abstracts #235
Description | This award looked at the astrochemistry landscape in the Uk and the needs for astronomy from lab data. As a result we have produced new software which is now used widely in the community and also are organising a major international conference. |
Exploitation Route | we hope to use this work widely in the JWST era and are part of a JWST programme as a result of this grant |
Sectors | Aerospace, Defence and Marine,Education,Other |
Description | Our software from this grant has been published on github and is open source available to whomever wants to use it. We are now part of a JWST proposal as a direct result of this work. We are now organising a major international Lab astrophysics meeting in the UK IAUS S350 as a result of our work in this network. |
Sector | Aerospace, Defence and Marine,Education,Other |
Impact Types | Societal |
Description | ESA ITT Microgravity |
Organisation | Telespazio Vega (IDEAS) |
Country | United Kingdom |
Sector | Private |
PI Contribution | Telespazio vega Uk Ltd and the Ou are now working on two projects together - one lead by HJF for the sub-orbital research programme in UKSa and one where HJg is a consultant to a Telespazio led programme awarded under the ESA ITT.With these projects now completed Telespazio and HJF are continuing their collaboration looking to establish a UK microgravity coordinator and looking to expand the commercial microgravity usage in the UK |
Collaborator Contribution | Our partners are bringing their visualisation software expertise and project management skills to bear on OU research and we are feeding our microgravity expertise back to them. |
Impact | work is oconfidential but two reports were made to ESA and now KTP is setting up a special interest group |
Start Year | 2016 |
Description | ICE AGE JWST ERS time |
Organisation | University of Amsterdam |
Country | Netherlands |
Sector | Academic/University |
PI Contribution | This is one of 10 teams worldwide, led by UVA who will take and reduced JWST data early in the mission. We lead one work package as a direct result of our AKARI research |
Collaborator Contribution | we are a total worldwide team of 45 people - everyone contributes something observationally academically or from the laboratory |
Impact | none yet - JWSt launch delayed and awaited |
Start Year | 2017 |
Description | ISIS particle charatcterisation |
Organisation | Braunschweig University of Technology |
Country | Germany |
Sector | Academic/University |
PI Contribution | we are leading research at ISIS into characterising the icy particles we use for our research. |
Collaborator Contribution | ISIS are clear contributors to the operation and analysis of NIMROD data. Tu Braunschweig - Blum & Gundlach are collaborators on this programme as staff in the experiments and co-authors of papers |
Impact | this is multidisciplinary between condensed matter experts astronomers and neutron scatterers and we have now published a series of papers in this field. |
Start Year | 2015 |
Description | ISIS particle charatcterisation |
Organisation | Science and Technologies Facilities Council (STFC) |
Department | ISIS Neutron and Muon Source |
Country | United Kingdom |
Sector | Academic/University |
PI Contribution | we are leading research at ISIS into characterising the icy particles we use for our research. |
Collaborator Contribution | ISIS are clear contributors to the operation and analysis of NIMROD data. Tu Braunschweig - Blum & Gundlach are collaborators on this programme as staff in the experiments and co-authors of papers |
Impact | this is multidisciplinary between condensed matter experts astronomers and neutron scatterers and we have now published a series of papers in this field. |
Start Year | 2015 |
Description | NSTP Light motion video capture |
Organisation | Direct Imaging Analytics Uk Ltd |
Country | United Kingdom |
Sector | Private |
PI Contribution | DIAL Uk and OU hold a joint UKSA NSTP grant to develop technology for light motion tracking |
Collaborator Contribution | the partners lead this collaboration and the work is confidential protected by a NDA |
Impact | ongoing |
Start Year | 2018 |
Title | OMNIFIT |
Description | this is a fitting routine for laboratory and observational spectra based on ice mapping observations with broader applications |
Type Of Technology | Software |
Year Produced | 2016 |
Open Source License? | Yes |
Impact | papers are ongoing exploiting omnifit |
URL | http://doi.org/10.5281/zenodo.35536 |