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Using a 3D General Circulation Model, the Unified Model, we present results from simulations of a tidally-locked TRAPPIST-1e with varying carbon dioxide CO2 and methane CH4 gas concentrations, and their corresponding prescribed spherical haze profiles. Our results show that the presence of CO2 leads to a warmer atmosphere globally due to its greenhouse effect, with the increase of surface temperature on the dayside surface reaching up to ~14.1 K, and on the nightside up to ~21.2 K. Increasing presence of CH4 first elevates the surface temperature on the dayside, followed by a decrease due to the balance of tropospheric warming and stratospheric cooling. A thin layer of haze, formed when the partial pressures of CH4 to CO2 (pCH4/pCO2) = 0.1, leads to a dayside warming of ~4.9K due to a change in the water vapour H2O distribution. The presence of a haze layer that formed beyond the ratio of 0.1 leads to dayside cooling. The haze reaches an optical threshold thickness when pCH4/pCO2 ~0.4 beyond which the dayside mean surface temperature does not vary much. The planet is more favourable to maintaining liquid water on the surface (mean surface temperature above 273.15 K) when pCO2 is high, pCH4 is low and the haze layer is thin. The effect of CO2, CH4 and haze on the dayside is similar to that for a rapidly-rotating planet. On the contrary, their effect on the nightside depends on the wind structure and the wind speed in the simulation., Comment: 17 pages, 16 figures, 2 tables

Convective processes are crucial in shaping exoplanetary atmospheres but are computationally expensive to simulate directly. A novel technique of simulating moist convection on tidally locked exoplanets is to use a global 3D model with a stretched mesh. This allows us to locally refine the model resolution to 4.7 km and resolve fine-scale convective processes without relying on parameterizations. We explore the impact of mesh stretching on the climate of a slowly rotating TRAPPIST-1e-like planet, assuming it is 1:1 tidally locked. In the stretched-mesh simulation with explicit convection, the climate is 5 K colder and 25% drier than that in the simulations with parameterized convection (with both stretched and quasi-uniform meshes)}. This is due to the increased cloud reflectivity - because of an increase of low-level cloudiness - and exacerbated by the diminished greenhouse effect due to less water vapor. At the same time, our stretched-mesh simulations reproduce the key characteristics of the global climate of tidally locked rocky exoplanets, without any noticeable numerical artifacts. Our methodology opens an exciting and computationally feasible avenue for improving our understanding of 3D mixing in exoplanetary atmospheres. Our study also demonstrates the feasibility of a global stretched mesh configuration for LFRic-Atmosphere, the next-generation Met Office climate and weather model., Comment: 15 pages, 7 figures; accepted for publication in The Astrophysical Journal

Transport-induced quenching in hot Jupiter atmospheres is a process that determines the boundary between the part of the atmosphere at chemical equilibrium and the part of the atmosphere at thermochemical (but not photothermochemical) disequilibrium. The location of this boundary, the quench level, depends on the interplay between the dynamical and chemical timescales in the atmosphere, with quenching occurring when these timescales are equal. We explore the sensitivity of the quench level position to an increase in the planet's atmospheric metallicity using aerosol-free 3D GCM simulations of a hot Jupiter WASP-96b. We find that the temperature increase at pressures of $\sim$$10^{4}-10^{7}$ Pa that occurs when metallicity is increased could shift the position of the quench level to pressures dominated by the jet, and cause an equatorial depletion of $CH_4$, $NH_3$ and $HCN$. We discuss how such a depletion affects the planet's transmission spectrum, and how the analysis of the evening-morning limb asymmetries, especially within $\sim3-5 {\mu}m$, could help distinguish atmospheres of different metallicities that are at chemical equilibrium from those with the upper layers at thermochemical disequilibrium., Comment: accepted to MNRAS, 27 pages, 24 figures

We demonstrate that LFRic-Atmosphere, a model built using the Met Office's GungHo dynamical core, is able to reproduce idealised large-scale atmospheric circulation patterns specified by several widely-used benchmark recipes. This is motivated by the rapid rate of exoplanet discovery and the ever-growing need for numerical modelling and characterisation of their atmospheres. Here we present LFRic-Atmosphere's results for the idealised tests imitating circulation regimes commonly used in the exoplanet modelling community. The benchmarks include three analytic forcing cases: the standard Held-Suarez test, the Menou-Rauscher Earth-like test, and the Merlis-Schneider Tidally Locked Earth test. Qualitatively, LFRic-Atmosphere agrees well with other numerical models and shows excellent conservation properties in terms of total mass, angular momentum and kinetic energy. We then use LFRic-Atmosphere with a more realistic representation of physical processes (radiation, subgrid-scale mixing, convection, clouds) by configuring it for the four TRAPPIST-1 Habitable Atmosphere Intercomparison (THAI) scenarios. This is the first application of LFRic-Atmosphere to a possible climate of a confirmed terrestrial exoplanet. LFRic-Atmosphere reproduces the THAI scenarios within the spread of the existing models across a range of key climatic variables. Our work shows that LFRic-Atmosphere performs well in the seven benchmark tests for terrestrial atmospheres, justifying its use in future exoplanet climate studies., Comment: 34 pages, 9(12) figures; Submitted to Geoscientific Model Development; Comments are welcome (see Discussion tab on the journal's website: https://egusphere.copernicus.org/preprints/2023/egusphere-2023-647)

Methane is thought to have been an important greenhouse gas during the Archean, although its potential warming has been found to be limited at high concentrations due to its high shortwave absorption. We use the Met Office Unified Model, a general circulation model, to further explore the climatic effect of different Archean methane concentrations. Surface warming peaks at a pressure ratio CH$_4$:CO$_2$ of approximately 0.1, reaching a maximum of up to 7 K before significant cooling above this ratio. Equator-to-pole temperature differences also tend to increase up to pCH$_4$ $\leq$300 Pa, which is driven by a difference in radiative forcing at the equator and poles by methane and a reduction in the latitudinal extend of the Hadley circulation. 3D models are important to fully capture the cooling effect of methane, due to these impacts of the circulation., Comment: 36 pages, 18 figures

Transport-induced quenching, i.e., the homogenisation of chemical abundances by atmospheric advection, is thought to occur in the atmospheres of hot gas giant exoplanets. While some numerical modelling of this process exists, the three-dimensional nature of transport-induced chemistry is underexplored. Here we present results of 3D cloud- and haze-free simulations of the atmospheres of HAT-P-11b, HD 189733b, HD 209458b, and WASP-17b including coupled hydrodynamics, radiative transfer and chemistry. Our simulations were performed with two chemical schemes: a chemical kinetics scheme, which is capable of capturing transport-induced quenching, and a simpler, more widely used chemical equilibrium scheme. We find that transport-induced quenching is predicted to occur in atmospheres of all planets in our sample; however, the extent to which it affects their synthetic spectra and phase curves varies from planet to planet. This implies that there is a "sweet spot" for the observability of signatures of transport-induced quenching, which is controlled by the interplay between the dynamics and chemistry., Comment: accepted to MNRAS, 27 pages, 15 figures, with DOI for the data repository

Stellar flares present challenges to the potential habitability of terrestrial planets orbiting M dwarf stars through inducing changes in the atmospheric composition and irradiating the planet's surface in large amounts of ultraviolet light. To examine their impact, we have coupled a general circulation model with a photochemical kinetics scheme to examine the response and changes of an Earth-like atmosphere to stellar flares and coronal mass ejections. We find that stellar flares increase the amount of ozone in the atmosphere by a factor of 20 compared to a quiescent star. We find that coronal mass ejections abiotically generate significant levels of potential bio-signatures such as N$_2$O. The changes in atmospheric composition cause a moderate decrease in the amount of ultraviolet light that reaches the planets surface, suggesting that while flares are potentially harmful to life, the changes in the atmosphere due to a stellar flare act to reduce the impact of the next stellar flare., Comment: 27 pages, 21 figures, accepted to MNRAS

Using a 3D general circulation model, we demonstrate that a confirmed rocky exoplanet and a primary observational target, TRAPPIST-1e presents an interesting case of climate bistability. We find that the atmospheric circulation on TRAPPIST-1e can exist in two distinct regimes for a 1~bar nitrogen-dominated atmosphere. One is characterized by a single strong equatorial prograde jet and a large day-night temperature difference; the other is characterized by a pair of mid-latitude prograde jets and a relatively small day-night contrast. The circulation regime appears to be highly sensitive to the model setup, including initial and surface boundary conditions, as well as physical parameterizations of convection and cloud radiative effects. We focus on the emergence of the atmospheric circulation during the early stages of simulations and show that the regime bistability is associated with a delicate balance between the zonally asymmetric heating, mean overturning circulation, and mid-latitude baroclinic instability. The relative strength of these processes places the GCM simulations on different branches of the evolution of atmospheric dynamics. The resulting steady states of the two regimes have consistent differences in the amount of water content and clouds, affecting the water absorption bands as well as the continuum level in the transmission spectrum, although they are too small to be detected with current technology. Nevertheless, this regime bistability affects the surface temperature, especially on the night side of the planet, and presents an interesting case for understanding atmospheric dynamics and highlights uncertainty in 3D GCM results, motivating more multi-model studies., Comment: 31 pages, 14 figures, accepted to the Planetary Science Journal

Identification of habitable planets beyond our solar system is a key goal of current and future space missions. Yet habitability depends not only on the stellar irradiance, but equally on constituent parts of the planetary atmosphere. Here we show, for the first time, that radiatively active mineral dust will have a significant impact on the habitability of Earth-like exoplanets. On tidally-locked planets, dust cools the day-side and warms the night-side, significantly widening the habitable zone. Independent of orbital configuration, we suggest that airborne dust can postpone planetary water loss at the inner edge of the habitable zone, through a feedback involving decreasing ocean coverage and increased dust loading. The inclusion of dust significantly obscures key biomarker gases (e.g. ozone, methane) in simulated transmission spectra, implying an important influence on the interpretation of observations. We demonstrate that future observational and theoretical studies of terrestrial exoplanets must consider the effect of dust., Comment: 15 pages, 4 figures, 3 tables

The majority of potentially habitable exoplanets detected orbit stars cooler than the Sun, and therefore are irradiated by a stellar spectrum peaking at longer wavelengths than that incident on Earth. Here, we present results from a set of simulations of tidally-locked terrestrial planets orbiting three different host stars to isolate the effect of the stellar spectra on the simulated climate. Specifically, we perform simulations based on TRAPPIST-1e, adopting an Earth-like atmosphere and using the UK Met Office Unified Model in an idealised 'aqua-planet' configuration. Whilst holding the planetary parameters constant, including the total stellar flux (900 W/m$^2$) and orbital period (6.10 Earth days), we compare results between simulations where the stellar spectrum is that of a quiescent TRAPPIST-1, Proxima Centauri and the Sun. The simulations with cooler host stars had an increased proportion of incident stellar radiation absorbed directly by the troposphere compared to the surface. This, in turn, led to an increase in the stability against convection, a reduction in overall cloud coverage on the dayside (reducing scattering), leading to warmer surface temperatures. The increased direct heating of the troposphere also led to more efficient heat transport from the dayside to the nightside and, therefore, a reduced day-night temperature contrast. We inferred that planets with an Earth-like atmosphere orbiting cooler stars had lower dayside cloud coverage, potentially allowing habitable conditions at increased orbital radii, compared to similar planets orbiting hotter stars for a given planetary rotation rate., Comment: 12 pages, 8 figures

Using a 3D general circulation model (GCM), we investigate the sensitivity of the climate of tidally-locked Earth-like exoplanets, Trappist-1e and Proxima Centauri b, to the choice of a convection parameterization. Compared to a mass-flux convection parameterization, a simplified convection adjustment parameterization leads to a $>$60% decrease of the cloud albedo, increasing the mean day-side temperature by $\approx$10 K. The representation of convection also affects the atmospheric conditions of the night side, via a change in planetary-scale wave patterns. As a result, using the convection adjustment scheme makes the night-side cold traps warmer by 17-36 K for the planets in our simulations. The day-night thermal contrast is sensitive to the representation of convection in 3D GCM simulations, so caution should be taken when interpreting emission phase curves. The choice of convection treatment, however, does not alter the simulated climate enough to result in a departure from habitable conditions, at least for the atmospheric composition and planetary parameters used in our study. The near-surface conditions both in the Trappist-1e and Proxima b cases remain temperate, allowing for an active water cycle. We further advance our analysis using high-resolution model experiments, in which atmospheric convection is simulated explicitly. Our results suggest that in a hypothetical global convection-permitting simulation the surface temperature contrast would be higher than in the coarse-resolution simulations with parameterized convection. In other words, models with parameterized convection may overestimate the inter-hemispheric heat redistribution efficiency., Comment: 26 pages, 15 figures, 5 tables. Accepted to ApJ

We present results from a set of simulations using a fully coupled three-dimensional (3D) chemistry-radiation-hydrodynamics model and investigate the effect of transport of chemical species by the large-scale atmospheric flow in hot Jupiter atmospheres. We couple a flexible chemical kinetics scheme to the Met Office Unified Model which enables the study of the interaction of chemistry, radiative transfer and fluid dynamics. We use a newly-released "reduced" chemical network comprising 30 chemical species that has been specifically developed for application in 3D atmosphere models. We simulate the atmospheres of the well-studied hot Jupiters HD~209458b and HD~189733b which both have dayside--nightside temperature contrasts of several hundred Kelvin and superrotating equatorial jets. We find qualitatively quite different chemical structures between the two planets, particularly for methane (CH$_4$), when advection of chemical species is included. Our results show that consideration of 3D chemical transport is vital in understanding the chemical composition of hot Jupiter atmospheres. 3D mixing leads to significant changes in the abundances of absorbing gas-phase species compared with what would be expected by assuming local chemical equilibrium, or from models including 1D - and even 2D - chemical mixing. We find that CH$_4$, carbon dioxide (CO$_2$) and ammonia (NH$_3$) are particularly interesting as 3D mixing of these species leads to prominent signatures of out-of-equilibrium chemistry in the transmission and emission spectra, detectable with near-future instruments., Comment: Accepted in A&A

We use the Met Office Unified Model to explore the potential of a tidally locked M dwarf planet, nominally Proxima Centauri b irradiated by a quiescent version of its host star, to sustain an atmospheric ozone layer. We assume a slab ocean surface layer, and an Earth-like atmosphere of nitrogen and oxygen with trace amounts of ozone and water vapour. We describe ozone chemistry using the Chapman mechanism and the hydrogen oxide (HO$_x$, describing the sum of OH and HO$_2$) catalytic cycle. We find that Proxima Centauri radiates with sufficient UV energy to initialize the Chapman mechanism. The result is a thin but stable ozone layer that peaks at 0.75 parts per million at 25 km. The quasi-stationary distribution of atmospheric ozone is determined by photolysis driven by incoming stellar radiation and by atmospheric transport. Ozone mole fractions are smallest in the lowest 15 km of the atmosphere at the sub-stellar point and largest in the nightside gyres. Above 15 km the ozone distribution is dominated by an equatorial jet stream that circumnavigates the planet. The nightside ozone distribution is dominated by two cyclonic Rossby gyres that result in localized ozone hotspots. On the dayside the atmospheric lifetime is determined by the HO$_x$ catalytic cycle and deposition to the surface, with nightside lifetimes due to chemistry much longer than timescales associated with atmospheric transport. Surface UV values peak at the substellar point with values of 0.01 W/m$^2$, shielded by the overlying atmospheric ozone layer but more importantly by water vapour clouds., Comment: Accepted for publication in MNRAS. 25 pages, 17 figures

In this paper we present three-dimensional atmospheric simulations of the hot Jupiter HD~189733b under two different scenarios: local chemical equilibrium and including advection of the chemistry by the resolved wind. Our model consistently couples the treatment of dynamics, radiative transfer and chemistry, completing the feedback cycle between these three important processes. The effect of wind--driven advection on the chemical composition is qualitatively similar to our previous results for the warmer atmosphere of HD~209458b, found using the same model. However, we find more significant alterations to both the thermal and dynamical structure for the cooler atmosphere of HD~189733b, with changes in both the temperature and wind velocities reaching $\sim10\%$. We also present the contribution function, diagnosed from our simulations, and show that wind--driven chemistry has a significant impact on its three--dimensional structure, particularly for regions where methane is an important absorber. Finally, we present emission phase curves from our simulations and show the significant effect of wind--driven chemistry on the thermal emission, particularly within the 3.6 \textmu m Spitzer/IRAC channel., Comment: Accepted in ApJ

1. Introduction 2. Molecular dynamics simulation of amorphous carbon structures 3. Atomistic simulation of the bombardment process during the BEN phase of diamond CVD 4. Growth of amorphous silicon 5. One-dimensional hopping in disordered organic solids, Comment: PhD thesis, 107 pages +45 figures, LaTeX, some color figures availble on the web (see details in the text)