In this paper, we describe the PALM model system 6.0. PALM (formerly an abbreviation for Parallelized Large-eddy Simulation Model and now an independent name) is a Fortran-based code and has been applied for studying a variety of atmospheric and oceanic boundary layers for about 20 years. The model is optimized for use on massively parallel computer architectures. This is a follow-up paper to the PALM 4.0 model description in Maronga et al. (2015). During the last years, PALM has been significantly improved and now offers a variety of new components. In particular, much effort was made to enhance the model with components needed for applications in urban environments, like fully interactive land surface and radiation schemes, chemistry, and an indoor model. This paper serves as an overview paper of the PALM 6.0 model system and we describe its current model core. The individual components for urban applications, case studies, validation runs, and issues with suitable input data are presented and discussed in a series of companion papers in this special issue.

Urban areas are an important part of the climate system and many aspects of urban climate have direct effects on human health and living conditions. This implies that reliable tools for local urban climate studies supporting sustainable urban planning are needed. However, a realistic implementation of urban canopy processes still poses a serious challenge for weather and climate modelling for the current generation of numerical models. To address this demand, a new urban surface model (USM), describing the surface energy processes for urban environments, was developed and integrated as a module into the PALM large-eddy simulation model. The development of the presented first version of the USM originated from modelling the urban heat island during summer heat wave episodes and thus implements primarily processes important in such conditions. The USM contains a multi-reflection radiation model for shortwave and longwave radiation with an integrated model of absorption of radiation by resolved plant canopy (i.e. trees, shrubs). Furthermore, it consists of an energy balance solver for horizontal and vertical impervious surfaces, and thermal diffusion in ground, wall, and roof materials, and it includes a simple model for the consideration of anthropogenic heat sources. The USM was parallelized using the standard Message Passing Interface and performance testing demonstrates that the computational costs of the USM are reasonable on typical clusters for the tested configurations. The module was fully integrated into PALM and is available via its online repository under the GNU General Public License (GPL). The USM was tested on a summer heat-wave episode for a selected Prague crossroads. The general representation of the urban boundary layer and patterns of surface temperatures of various surface types (walls, pavement) are in good agreement with in situ observations made in Prague. Additional simulations were performed in order to assess the sensitivity of the results to uncertainties in the material parameters, the domain size, and the general effect of the USM itself. The first version of the USM is limited to the processes most relevant to the study of summer heat waves and serves as a basis for ongoing development which will address additional processes of the urban environment and lead to improvements to extend the utilization of the USM to other environments and conditions.

In recent years, the PALM 6.0 modelling system has been rapidly developing its capability to simulate physical processes within urban environments. Some examples in this regard are energy-balance solvers for building and land surfaces, a radiative transfer model to account for multiple reflections and shading, a plant-canopy model to consider the effects of plants on flow (thermo)dynamics, and a chemistry transport model to enable simulation of air quality. This study provides a thorough evaluation of modelled meteorological, air chemistry, and ground and wall-surface quantities against dedicated in situ measurements taken in an urban environment in Dejvice, Prague, the Czech Republic. Measurements included monitoring of air quality and meteorology in street canyons, surface temperature scanning with infrared cameras, and monitoring of wall heat fluxes. Large-eddy simulations (LES) using the PALM model driven by boundary conditions obtained from a mesoscale model were performed for multiple days within two summer and three winter episodes characterized by different atmospheric conditions. For the simulated episodes, the resulting temperature, wind speed, and chemical compound concentrations within street canyons show a realistic representation of the observed state, except that the LES did not adequately capture night-time cooling near the surface for certain meteorological conditions. In some situations, insufficient turbulent mixing was modelled, resulting in higher near-surface concentrations. At most of the evaluation points, the simulated surface temperature reproduces the observed surface temperature reasonably well for both absolute and daily amplitude values. However, especially for the winter episodes and for modern buildings with multilayer walls, the heat transfer through walls is not well captured in some cases, leading to discrepancies between the modelled and observed wall-surface temperature. Furthermore, the study corroborates model dependency on the accuracy of the input data. In particular, the temperatures of surfaces affected by nearby trees strongly depend on the spatial distribution of the leaf area density, land surface temperatures at grass surfaces strongly depend on the initial soil moisture, wall-surface temperatures depend on the correct setting of wall material parameters, and concentrations depend on detailed information on spatial distribution of emissions, all of which are often unavailable at sufficient accuracy. The study also points out some current model limitations, particularly the implications of representing topography and complex heterogeneous facades on a discrete Cartesian grid, and glass facades that are not fully represented in terms of radiative processes. Our findings are able to validate the representation of physical processes in PALM while also pointing out specific shortcomings. This will help to build a baseline for future developments of the model and improvements of simulations of physical processes in an urban environment.

The Radiative Transfer Model (RTM) is an explicitly resolved three-dimensional multi-reflection radiation model integrated into the PALM modelling system. It is responsible for modelling complex radiative interactions within the urban canopy. It represents a key component in modelling energy transfer inside the urban layer and consequently PALM's ability to provide explicit simulations of the urban canopy at metre-scale resolution. This paper presents RTM version 3.0, which is integrated into the PALM modelling system version 6.0. This version of RTM has been substantially improved over previous versions. A more realistic representation is enabled by the newly simulated processes, e.g. the interaction of longwave radiation with the plant canopy, evapotranspiration and latent heat flux, calculation of mean radiant temperature, and bidirectional interaction with the radiation forcing model. The new version also features novel discretization schemes and algorithms, namely the angular discretization and the azimuthal ray tracing, which offer significantly improved scalability and computational efficiency, enabling larger parallel simulations. It has been successfully tested on a realistic urban scenario with a horizontal size of over 6 million grid points using 8192 parallel processes.

Ammonia (NH₃) emissions have large impacts on air quality and nitrogen deposition, influencing human health and the well-being of sensitive ecosystems. Large uncertainties exist in the “bottom-up” NH₃ emission inventories due to limited source information and a historical lack of measurements, hindering the assessment of NH₃-related environmental impacts. The increasing capability of satellites to measure NH₃ abundance and the development of modeling tools enable us to better constrain NH₃ emission estimates at high spatial resolution. In this study, we constrain the NH₃ emission estimates from the widely used 2011 National Emissions Inventory (2011 NEI) in the US using Infrared Atmospheric Sounding Interferometer NH₃ column density measurements (IASI-NH₃) gridded at a 36 km by 36 km horizontal resolution. With a hybrid inverse modeling approach, we use the Community Multiscale Air Quality Modeling System (CMAQ) and its multiphase adjoint model to optimize NH₃ emission estimates in April, July, and October. Our optimized emission estimates suggest that the total NH₃ emissions are biased low by 26 % in 2011 NEI in April with overestimation in the Midwest and underestimation in the Southern States. In July and October, the estimates from NEI agree well with the optimized emission estimates, despite a low bias in hotspot regions. Evaluation of the inversion performance using independent observations shows reduced underestimation in simulated ambient NH₃ concentration in all 3 months and reduced underestimation in NH${}_{\mathrm{4}}^{+}$ wet deposition in April. Implementing the optimized NH₃ emission estimates improves the model performance in simulating PM_2.5 concentration in the Midwest in April. The model results suggest that the estimated contribution of ammonium nitrate would be biased high in a priori NEI-based assessments. The higher emission estimates in this study also imply a higher ecological impact of nitrogen deposition originating from NH₃ emissions.

The modelling of thermal exposure in outdoor urban environments is a highly topical challenge in modern climate research. This paper presents the results derived from a new micrometeorological model that employs an integrated biometeorology module to model Universal Thermal Climate Index (UTCI). This is PALM-4U, which includes an integrated human body-shape parameterization, deployed herein for a pilot domain in Prague, Czech Republic. The results highlight the key role of radiation in the spatiotemporal variability of thermal exposure in moderate-climate urban areas during summer days in terms of the way in which this directly affects thermal comfort through radiant temperature and indirectly through the complexity of turbulence in street canyons. The model simulations suggest that the highest thermal exposure may be expected within street canyons near the irradiated north sides of east–west streets and near streets oriented north–south. Heat exposure in streets increases in proximity to buildings with reflective paints. The lowest heat exposure during the day may be anticipated in tree-shaded courtyards. The cooling effect of trees may range from 4 °C to 9 °C in UTCI, and the cooling effect of grass in comparison with artificial paved surfaces in open public places may be from 2 °C to 5 °C UTCI. In general terms, this study illustrates that the PALM modelling system provides a new perspective on the spatiotemporal differentiation of thermal exposure at the pedestrian level; it may therefore contribute to more climate-sensitive urban planning.