Outputs (105)

The first microsolvation step for furans : new experiments and benchmarking strategies (2020)
Journal Article
Gottschalk, H. C., Poblotzki, A., Fatima, M., Obenchain, D. A., Pérez, C., Antony, J., Auer, A. A., Baptista, L., Benoit, D. M., Bistoni, G., Bohle, F., Dahmani, R., Firaha, D., Grimme, S., Hansen, A., Harding, M. E., Hochlaf, M., Holzer, C., Jansen, G., Klopper, W., …Schnell, M. (2020). The first microsolvation step for furans : new experiments and benchmarking strategies. The Journal of chemical physics, 152(16), 164303. https://doi.org/10.1063/5.0004465

The site-specific first microsolvation step of furan and some of its derivatives with methanol is explored to benchmark the ability of quantum-chemical methods to describe the structure, energetics, and vibrational spectrum at low temperature. Infrar... Read More about The first microsolvation step for furans : new experiments and benchmarking strategies.

Explaining the chemical trajectories of accreted and in-situ halo stars of the Milky Way (2020)
Journal Article
Brook, C. B., Kawata, D., Gibson, B. K., Gallart, C., & Vicente, A. (2020). Explaining the chemical trajectories of accreted and in-situ halo stars of the Milky Way. Monthly notices of the Royal Astronomical Society, 495(3), 2645-2651. https://doi.org/10.1093/mnras/staa992

© 2020 The Author(s) Published by Oxford University Press on behalf of the Royal Astronomical Society. The Milky Way underwent its last significant merger ten billion years ago, when the Gaia-Enceladus-Sausage (GES) was accreted. Accreted GES stars a... Read More about Explaining the chemical trajectories of accreted and in-situ halo stars of the Milky Way.

Deep learning with knowledge transfer for explainable anomaly prediction in wind turbines (2020)
Journal Article
Chatterjee, J., & Dethlefs, N. (2020). Deep learning with knowledge transfer for explainable anomaly prediction in wind turbines. Wind energy, 23(8), 1693-1710. https://doi.org/10.1002/we.2510

The last decade has witnessed an increased interest in applying machine learning techniques to predict faults and anomalies in the operation of wind turbines. These efforts have lately been dominated by deep learning techniques which, as in other fie... Read More about Deep learning with knowledge transfer for explainable anomaly prediction in wind turbines.

Chromium Nucleosynthesis and Silicon-Carbon Shell Mergers in Massive Stars (2020)
Journal Article
Côté, B., Jones, S., Herwig, F., & Pignatari, M. (2020). Chromium Nucleosynthesis and Silicon-Carbon Shell Mergers in Massive Stars. The Astrophysical journal, 892(1), Article 57. https://doi.org/10.3847/1538-4357/ab77ac

We analyze the production of the element Cr in galactic chemical evolution (GCE) models using the NuGrid nucleosynthesis yields set. We show that the unusually large [Cr/Fe] abundance at [Fe/H] ≈ 0 reported by previous studies using those yields and... Read More about Chromium Nucleosynthesis and Silicon-Carbon Shell Mergers in Massive Stars.

A novel electromagnetic apparatus for in-situ synchrotron X-ray imaging study of the separation of phases in metal solidification (2020)
Journal Article
Koe, B., Abraham, C., Bailey, C., Greening, B., Small, M., Connolley, T., & Mi, J. (2020). A novel electromagnetic apparatus for in-situ synchrotron X-ray imaging study of the separation of phases in metal solidification. HardwareX, 7, Article e00104. https://doi.org/10.1016/j.ohx.2020.e00104

As a part of a research into new techniques for purifying recycled aluminium alloys, a novel electromagnetic apparatus had been developed for investigating in real-time the separation mechanisms of detrimental inclusions in aluminium alloy melts unde... Read More about A novel electromagnetic apparatus for in-situ synchrotron X-ray imaging study of the separation of phases in metal solidification.

Pattern formation in two-dimensional hard-core/soft-shell systems with variable soft shell profiles (2020)
Journal Article
Somerville, W. R. C., Law, A. D., Rey, M., Vogel, N., Archer, A. J., & Buzza, D. M. A. (2020). Pattern formation in two-dimensional hard-core/soft-shell systems with variable soft shell profiles. Soft matter, 16(14), 3564-3573. https://doi.org/10.1039/d0sm00092b

Hard-core/soft shell (HCSS) particles have been shown to self-assemble into a remarkably rich variety of structures under compression due to the simple interplay between the hard-core and soft-shoulder length scales in their interactions. Most studie... Read More about Pattern formation in two-dimensional hard-core/soft-shell systems with variable soft shell profiles.

Isotopic Signatures of Supernova Nucleosynthesis in Presolar Silicon Carbide Grains of Type AB with Supersolar 14N/15N Ratios (2019)
Journal Article
Hoppe, P., Stancliffe, R. J., Pignatari, M., & Amari, S. (2019). Isotopic Signatures of Supernova Nucleosynthesis in Presolar Silicon Carbide Grains of Type AB with Supersolar 14N/15N Ratios. The Astrophysical journal, 887(1), 10. https://doi.org/10.3847/1538-4357/ab521c

We report high-resolution C, N, Al, Si, and S isotope data of 38 presolar SiC grains of type AB. Seventeen of these grains are of subtype AB1 (14N/15N < 440 = solar) and 20 of subtype AB2 (14N/15N ≥ 440), previously proposed to be mainly from superno... Read More about Isotopic Signatures of Supernova Nucleosynthesis in Presolar Silicon Carbide Grains of Type AB with Supersolar 14N/15N Ratios.

Saxitoxin and tetrodotoxin bioavailability increases in future oceans (2019)
Journal Article
Roggatz, C. C., Fletcher, N., Benoit, D. M., Algar, A. C., Doroff, A., Wright, B., Wollenberg Valero, K. C., & Hardege, J. D. (2019). Saxitoxin and tetrodotoxin bioavailability increases in future oceans. Nature Climate Change, 9(11), 840-844. https://doi.org/10.1038/s41558-019-0589-3

© 2019, The Author(s), under exclusive licence to Springer Nature Limited. Increasing atmospheric CO2 levels are largely absorbed by the ocean, decreasing surface water pH1. In combination with increasing ocean temperatures, these changes have been i... Read More about Saxitoxin and tetrodotoxin bioavailability increases in future oceans.

The s process in rotating low-mass AGB stars: Nucleosynthesis calculations in models matching asteroseismic constraints (2019)
Journal Article
Den Hartogh, J. W., Hirschi, R., Lugaro, M., Doherty, C. L., Battino, U., Herwig, F., Pignatari, M., & Eggenberger, P. (2019). The s process in rotating low-mass AGB stars: Nucleosynthesis calculations in models matching asteroseismic constraints. Astronomy and Astrophysics, 629, Article A123. https://doi.org/10.1051/0004-6361/201935476

Aims. We investigate the s-process during the AGB phase of stellar models whose cores are enforced to rotate at rates consistent with asteroseismology observations of their progenitors and successors. Methods. We calculated new 2 M⊙ , Z  =  0.01 mode... Read More about The s process in rotating low-mass AGB stars: Nucleosynthesis calculations in models matching asteroseismic constraints.

2D-Galactic chemical evolution: The role of the spiral density wave (2019)
Journal Article
Mollá, M., Wekesa, S., Cavichia, O., Díaz, I., Gibson, B. K., Rosales-Ortega, F. F., Ascasibar, Y., Wamalwa, D. S., & Sánchez, S. F. (2019). 2D-Galactic chemical evolution: The role of the spiral density wave. Monthly notices of the Royal Astronomical Society, 490(1), 665-682. https://doi.org/10.1093/mnras/stz2537

© 2019 The Author(s). Published by Oxford University Press on behalf of the Royal Astronomical Society. We present a 2D chemical evolution code applied to a Milky Way type Galaxy, incorporating the role of spiral arms in shaping azimuthal abundance v... Read More about 2D-Galactic chemical evolution: The role of the spiral density wave.

Environmental temperatures shape thermal physiology as well as diversification and genome-wide substitution rates in lizards (2019)
Journal Article
García-Porta, J., Irisarri, I., Kirchner, M., Rodriguez, A., Kirchhof, S., Brown, J. L., MacLeod, A., Turner, A. P., Ahmadzadeh, F., Albaladejo, G., Crnobrnja-Isailovic, J., De la Riva, I., Fawzi, A., Galan, P., Göçmen, B., Harris, D. J., Jiménez-Robles, O., Joger, U., Jovanović Glavaš, O., Karış, M., …Wollenberg Valero, K. C. (2019). Environmental temperatures shape thermal physiology as well as diversification and genome-wide substitution rates in lizards. Nature communications, 10(1), Article 4077. https://doi.org/10.1038/s41467-019-11943-x

© 2019, The Author(s). Climatic conditions changing over time and space shape the evolution of organisms at multiple levels, including temperate lizards in the family Lacertidae. Here we reconstruct a dated phylogenetic tree of 262 lacertid species b... Read More about Environmental temperatures shape thermal physiology as well as diversification and genome-wide substitution rates in lizards.

A direct measurement of the 17O(α,γ)21Ne reaction in inverse kinematics and its impact on heavy element production (2019)
Journal Article
Taggart, M. P., Akers, C., Laird, A. M., Hager, U., Ruiz, C., Hutcheon, D. A., Bentley, M. A., Brown, J. R., Buchmann, L., Chen, A. A., Chen, J., Chipps, K. A., Choplin, A., D'Auria, J. M., Davids, B., Davis, C., Diget, C. A., Erikson, L., Fallis, J., Fox, S. P., …Williams, M. (2019). A direct measurement of the 17O(α,γ)21Ne reaction in inverse kinematics and its impact on heavy element production. Physics letters. B, 798, Article 134894. https://doi.org/10.1016/j.physletb.2019.134894

© 2019 The Authors During the slow neutron capture process in massive stars, reactions on light elements can both produce and absorb neutrons thereby influencing the final heavy element abundances. At low metallicities, the high neutron capture rate... Read More about A direct measurement of the 17O(α,γ)21Ne reaction in inverse kinematics and its impact on heavy element production.

NuGrid stellar data set - III. Updated low-mass AGB models and s-process nucleosynthesis with metallicities Z = 0.01, Z = 0.02, and Z = 0.03 (2019)
Journal Article
Battino, U., Tattersall, A., Lederer-Woods, C., Herwig, F., Denissenkov, P., Hirschi, R., Trappitsch, R., den Hartogh, J. W., & Pignatari, M. (2019). NuGrid stellar data set - III. Updated low-mass AGB models and s-process nucleosynthesis with metallicities Z = 0.01, Z = 0.02, and Z = 0.03. Monthly notices of the Royal Astronomical Society, 489(1), 1082-1098. https://doi.org/10.1093/mnras/stz2158

© 2019 Oxford University Press. All rights reserved. The production of the neutron-capture isotopes beyond iron that we observe today in the Solar system is the result of the combined contribution of the r-process, the s-process, and possibly the i-p... Read More about NuGrid stellar data set - III. Updated low-mass AGB models and s-process nucleosynthesis with metallicities Z = 0.01, Z = 0.02, and Z = 0.03.

The i-process yields of rapidly accreting white dwarfs from multicycle He-shell flash stellar evolution models with mixing parametrizations from 3D hydrodynamics simulations (2019)
Journal Article
Denissenkov, P. A., Herwig, F., Woodward, P., Andrassy, R., Pignatari, M., & Jones, S. (2019). The i-process yields of rapidly accreting white dwarfs from multicycle He-shell flash stellar evolution models with mixing parametrizations from 3D hydrodynamics simulations. Monthly notices of the Royal Astronomical Society, 488(3), 4258-4270. https://doi.org/10.1093/mnras/stz1921

© 2019 The Author(s) Published by Oxford University Press on behalf of the Royal Astronomical Society We have modelled the multicycle evolution of rapidly accreting CO white dwarfs (RAWDs) with stable H burning intermittent with strong He-shell flash... Read More about The i-process yields of rapidly accreting white dwarfs from multicycle He-shell flash stellar evolution models with mixing parametrizations from 3D hydrodynamics simulations.

Galactic chemical evolution of radioactive isotopes (2019)
Journal Article
Côté, B., Lugaro, M., Reifarth, R., Pignatari, M., Világos, B., Yagüe, A., & Gibson, B. K. (2019). Galactic chemical evolution of radioactive isotopes. The Astrophysical journal, 878(2), Article 156. https://doi.org/10.3847/1538-4357/ab21d1

The presence of short-lived (∼ Myr) radioactive isotopes in meteoritic inclusions at the time of their formation represents a unique opportunity to study the circumstances that led to the formation of the Solar System. To interpret these observations... Read More about Galactic chemical evolution of radioactive isotopes.

Short-and medium-term exposure to ocean acidification reduces olfactory sensitivity in gilthead seabream (2019)
Journal Article
Velez, Z., Roggatz, C. C., Benoit, D. M., Hardege, J., & Hubbard, P. C. (2019). Short-and medium-term exposure to ocean acidification reduces olfactory sensitivity in gilthead seabream. Frontiers in Physiology, 10, Article 731. https://doi.org/10.3389/fphys.2019.00731

The effects of ocean acidification on fish are only partially understood. Studies on olfaction are mostly limited to behavioural
alterations of coral reef fish; studies on temperate species and/or with economic importance are scarce. The current stu... Read More about Short-and medium-term exposure to ocean acidification reduces olfactory sensitivity in gilthead seabream.

Using failed supernovae to constrain the Galactic r-process element production (2019)
Journal Article
Wehmeyer, B., Wehmeyer, B., Fröhlich, C., Fröhlich, C., Côté, B., Côté, B., Pignatari, M., Pignatari, M., Thielemann, F.-K., & Thielemann, F. K. (2019). Using failed supernovae to constrain the Galactic r-process element production. Monthly notices of the Royal Astronomical Society, 487(2), 1745-1753. https://doi.org/10.1093/mnras/stz1310

Rapid neutron capture process (r-process) elements have been detected in a large fraction of metal-poor halo stars, with abundances relative to iron (Fe) that vary by over two orders of magnitude. This scatter is reduced to less than a factor of 3 in... Read More about Using failed supernovae to constrain the Galactic r-process element production.

The vibrational signatures of polyaromatic hydrocarbons on an ice surface (2019)
Presentation / Conference Contribution
Clark, V. H., & Benoit, D. M. The vibrational signatures of polyaromatic hydrocarbons on an ice surface. Presented at Symposium S350: Laboratory Astrophysics: From Observations to Interpretation, Cambridge, UK

© International Astronomical Union 2020. We use quantum chemical techniques to model the vibrational spectra of small aromatic molecules on a proton-ordered hexagonal crystalline water ice (XIh) model. We achieve a good agreement with experimental da... Read More about The vibrational signatures of polyaromatic hydrocarbons on an ice surface.

Neutron star mergers might not be the only source of r-process elements in the Milky Way (2019)
Journal Article
Côté, B., Eichler, M., Arcones, A., Hansen, C. J., Simonetti, P., Frebel, A., Fryer, C. L., Pignatari, M., Reichert, M., Belczynski, K., & Matteucci, F. (2019). Neutron star mergers might not be the only source of r-process elements in the Milky Way. The Astrophysical journal, 875(2), 106. https://doi.org/10.3847/1538-4357/ab10db

Probing the origin of r-process elements in the universe represents a multidisciplinary challenge. We review the observational evidence that probes the properties of r-process sites, and address them using galactic chemical evolution simulations, bin... Read More about Neutron star mergers might not be the only source of r-process elements in the Milky Way.

H2, HD, and D2 in the small cage of structure II clathrate hydrate: vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates (2019)
Journal Article
Lauvergnat, D., Felker, P., Scribano, Y., Benoit, D. M., & Bačić, Z. (2019). H2, HD, and D2 in the small cage of structure II clathrate hydrate: vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates. The Journal of chemical physics, 150(15), Article 154303. https://doi.org/10.1063/1.5090573

We report the first fully coupled quantum six-dimensional (6D) bound-state calculations of the vibration-translation-rotation eigenstates of a flexible H2, HD, and D2 molecule confined inside the small cage of the structure II clathrate hydrate embed... Read More about H2, HD, and D2 in the small cage of structure II clathrate hydrate: vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates.