Hostname: page-component-848d4c4894-r5zm4 Total loading time: 0 Render date: 2024-06-20T05:51:24.650Z Has data issue: false hasContentIssue false

Navigating in the Dark

Published online by Cambridge University Press:  09 January 2024

Amélie Godard Palluet
Affiliation:
Institut de physique de Rennes, Université de Rennes, Rennes, France
Marie Gueguen*
Affiliation:
Institut de physique de Rennes, Université de Rennes, Rennes, France
*
Corresponding author: Marie Gueguen; Email: mgueguen@uwo.ca

Abstract

This article introduces the snap hook methodology, a method used notably in astrochemistry as a way to indirectly validate and assess the accuracy of computational calculations in the absence of experimental or observational data. We argue that this methodology has tremendous potential for all computationally intensive scientific fields as a substitute for traditional verification and validation standards when those are not accessible and estimating the reliability of numerical predictions becomes a real difficulty. The goal of this article is to give to this method, which seems to be implicitly relied upon in many areas, a proper formulation, in order for philosophers of science to enter the debate and to highlight its undeniable potential in terms of interdisciplinary facilitation and knowledge transmission.

Type
Symposia Paper
Copyright
© The Author(s), 2024. Published by Cambridge University Press on behalf of the Philosophy of Science Association

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Alexander, Millard H., and Dagdigian, Paul J.. 1983. “Propensity Rules in Rotationally Inelastic Collisions of Diatomic Molecules in 3 Σ Electronic States.” Journal of Chemical Physics 79 (1):302–10. https://doi.org/10.1063/1.445578.CrossRefGoogle Scholar
Arthurs, A. M., and Dalgarno, A.. 1960. “The Theory of Scattering by a Rigid Rotator.” Proceedings of the Royal Society of London, Series A 256 (1287):540–51. https://doi.org/10.1098/rspa.1960.0125.Google Scholar
Bishwakarma, Chandan Kumar, van Oevelen, George, Scheidsbach, Roy, Parker, David H., Nikolaevna Kalugina, Yulia, and Lique, François. 2016. “State-to-State Inelastic Scattering of O2 with Helium.” Journal of Physical Chemistry A 120 (6):868–74. https://doi.org/10.1021/acs.jpca.6b00817.CrossRefGoogle ScholarPubMed
Bop, Cheikh T., Ernesto Quintas-Sánchez, Sur, Sangeeta, Robin, Mathurin, Lique, François, and Dawes, Richard. 2021. “Inelastic Scattering in Isotopologues of O2-Ar: The Effects of Mass, Symmetry, and Density of States.” Physical Chemistry Chemical Physics 23 (10):5945–55. https://doi.org/10.1039/D1CP00326G.CrossRefGoogle ScholarPubMed
Deng, Wenping, Didier Mondelain, Franck Thibault, Camy-Peyret, Claude, and Mantz, Arlan W.. 2009. “Experimental He-Pressure Broadening for the R(10) and P(2) Lines in the ν3 Band of 13CO2, and Experimental Pressure Shifts for R(10) Measured at Several Temperatures between 300K and 100K.” Journal of Molecular Spectroscopy 256 (1):102–8. https://doi.org/10.1016/j.jms.2009.02.021.CrossRefGoogle Scholar
Godard Palluet, Amélie, and Lique, François. 2023. “Fine-Structure Excitation of CCS by He: Potential Energy Surface and Scattering Calculations.” Journal of Chemical Physics 158 (4):044303. https://doi.org/10.1063/5.0138470.CrossRefGoogle ScholarPubMed
Godard Palluet, Amélie, Thibault, Franck, and Lique, François. 2022. “Rotational Excitation of CO2 Induced by He: New Potential Energy Surface and Scattering Calculations.” Journal of Chemical Physics 156 (10):104303. https://doi.org/10.1063/5.0085094.CrossRefGoogle Scholar
Jebeile, Julie, and Ardourel, Vincent. 2019. “Verification and Validation of Simulations against Holism.” Minds and Machines 29 (1):149–68. https://doi.org/10.1007/s11023-019-09493-8.CrossRefGoogle Scholar
Lenhard, Johannes. 2018. “Holism, or the Erosion of Modularity: A Methodological Challenge for Validation.” Philosophy of Science 85 (5):832–44. https://doi.org/10.1086/699675.CrossRefGoogle Scholar
Lenhard, Johannes. 2019. “How Does Holism Challenge the Validation of Computer Simulation?” In Computer Simulation Validation: Fundamental Concepts, Methodological Frameworks, and Philosophical Perspectives, edited by Beisbart, Claus and Nicole, J. Saam, 943–60. Berlin: Springer. https://doi.org/10.1007/978-3-319-70766-2_39.CrossRefGoogle Scholar
Lenhard, Johannes, and Winsberg, Eric. 2010. “Holism, Entrenchment, and the Future of Climate Model Pluralism.” Studies in History and Philosophy of Science, Part B 41 (3):253–62. https://doi.org/10.1016/j.shpsb.2010.07.001.CrossRefGoogle Scholar
Lique, François, Kłos, J., and Hochlaf, M.. 2010. “Benchmarks for the Generation of Interaction Potentials for Scattering Calculations: Applications to Rotationally Inelastic Collisions of $C_4({\chi ^3}{\rm{\Sigma }}_g^ -)$ with He.” Physical Chemistry Chemical Physics 12 (48):15672–80. https://doi.org/10.1039/C004945J.CrossRefGoogle Scholar
Lique, F., Spielfiedel, A., Dubernet, M.-L., and Feautrier, N.. 2005. “Rotational Excitation of Sulfur Monoxide by Collisions with Helium at Low Temperature.” Journal of Chemical Physics 123 (13):134316. https://doi.org/10.1063/1.2004994.CrossRefGoogle ScholarPubMed
Oberkampf, William L., and Trucano, Timothy G.. 2002. “Verification and Validation in Computational Fluid Dynamics.” Progress in Aerospace Sciences 38 (3):209–72.CrossRefGoogle Scholar
Thibault, F., Calil, B., Boissoles, J., and Launay, J. M.. 2000. “Experimental and Theoretical CO2-He Pressure Broadening Cross Sections.” Physical Chemistry Chemical Physics 2 (23):5404–10. https://doi.org/10.1039/b006224n.CrossRefGoogle Scholar
Toboła, Robert, Dumouchel, Fabien, Kłłos, Jacek, and Lique, François. 2011. “Calculations of Fine-Structure Resolved Collisional Rate Coefficients for the NH3)-He System.Journal of Chemical Physics 134 (2):024305. https://doi.org/10.1063/1.3524311.CrossRefGoogle Scholar