Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “model parameterization”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 991 records · Page 55

A New Coupled Biogeochemical Modeling Approach Provides Accurate Predictions of Methane and Carbon Dioxide Fluxes Across Diverse Tidal Wetlands

Abstract Tidal wetlands provide valuable ecosystem services, including storing large amounts of carbon. However, the net exchanges of carbon dioxide (CO 2 ) and methane (CH 4 ) in tidal wetlands are highly uncertain. While several biogeochemical models can operate in tidal wetlands, they have yet to be parameterized and validated against high‐frequency, ecosystem‐scale CO 2 and CH 4 flux measurements across diverse sites. We paired the Cohort Marsh Equilibrium Model (CMEM) with a version of the PEPRMT model called PEPRMT‐Tidal, which considers the effects of water table height, sulfate, and nitrate availability on CO 2 and CH 4 emissions. Using a model‐data fusion approach, we parameterized the model with three sites and validated it with two independent sites, with representation from the three marine coasts of North America. Gross primary productivity (GPP) and ecosystem respiration (R eco ) modules explained, on average, 73% of the variation in CO 2 exchange with low model error (normalized root mean square error (nRMSE) <1). The CH 4 module also explained the majority of variance in CH 4 emissions in validation sites ( R 2 = 0.54; nRMSE = 1.15). The PEPRMT‐Tidal‐CMEM model coupling is a key advance toward constraining estimates of greenhouse gas emissions across diverse North American tidal wetlands. Further analyses of model error and case studies during changing salinity conditions guide future modeling efforts regarding four main processes: (a) the influence of salinity and nitrate on GPP, (b) the influence of laterally transported dissolved inorganic C on R eco , (c) heterogeneous sulfate availability and methylotrophic methanogenesis impacts on surface CH 4 emissions, and (d) CH 4 responses to non‐periodic changes in salinity.

54 ENVIRONMENTAL SCIENCES↗

Development and assessment of hierarchical multi-reward reinforcement learning based potential for silicene with state-of-the-art models

We develop a new interatomic force field for Silicene, a 2D material with a buckled hexagonal lattice structure with high polymorphism. We introduce new parameterizations of a Tersoff model using a hierarchical multi-reward reinforcement learning (RL) methodology coupled with a continuous Monte Carlo Tree Search optimization. Our model significantly outperforms existing methods by enhancing the accuracy of predictions for the structural and thermodynamic properties of seven silicene polymorphs-including structure, energy, equation of state, elasticity, and phonon dispersion-when compared to established models. We further make a comprehensive comparison of the various models in predicting the mechanical and thermal properties of silicene. We trace the origin of the improved performance to the description of the angular dependence in the bond-order term, suggesting that modifying the angular terms in short-range models is essential to capture the structural diversity in low dimensional systems.

2D materials↗

Vadose Zone Flow and Transport Parameters Data Package for the Hanford Site Composite Analysis

This report provides a description of the basis for the development and implementation of a conceptual model for vadose zone flow and transport for the Hanford Site composite analysis (CA) groundwater pathway analysis. The parameterization for a numerical model is intimately linked to the conceptual model framework. This report describes the basis for the selection of hydraulic and transport parameters for the hydrostratigraphic units (HSUs) identified in the 200 East and 200 West Areas. The following three-step process was used to develop the hydraulic properties and transport parameters for the CA modeling: 1. Breakdown of existing database on hydraulic properties by HSUs 2. Constitutive model parameters for laboratory, core-scale hydraulic properties 3. Upscaling for macroscopic, field-scale flow, and transport parameters This document provides data and information on the following items: A brief description and technical basis for the conceptual model selected to represent vadose zone flow and transport for the CA modeling. Variation in sediment particle size distribution for representative sites in the 200 East and West Areas. A summary of effective (upscaled) moisture retention, and saturated and unsaturated hydraulic conductivity estimates for the HSUs in the 200 East and West Areas. A summary of effective transport parameters, including sediment bulk density and macrodispersivity estimates for various HSUs. The 200 East Area B Complex perched water aquifer hydraulic properties

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The Global Atmosphere‐aerosol Model ICON‐A‐HAM2.3–Initial Model Evaluation and Effects of Radiation Balance Tuning on Aerosol Optical Thickness

Abstract The Hamburg Aerosol Module version 2.3 (HAM2.3) from the ECHAM6.3‐HAM2.3 global atmosphere‐aerosol model is coupled to the recently developed icosahedral nonhydrostatic ICON‐A (icon‐aes‐1.3.00) global atmosphere model to yield the new ICON‐A‐HAM2.3 atmosphere‐aerosol model. The ICON‐A and ECHAM6.3 host models use different dynamical cores, parameterizations of vertical mixing due to sub‐grid scale turbulence, and parameter settings for radiation balance tuning. Here, we study the role of the different host models for simulated aerosol optical thickness (AOT) and evaluate impacts of using HAM2.3 and the ECHAM6‐HAM2.3 two‐moment cloud microphysics scheme on several meteorological variables. Sensitivity runs show that a positive AOT bias over the subtropical oceans is remedied in ICON‐A‐HAM2.3 because of a different default setting of a parameter in the moist convection parameterization of the host models. The global mean AOT is biased low compared to MODIS satellite instrument retrievals in ICON‐A‐HAM2.3 and ECHAM6.3‐HAM2.3, but the bias is larger in ICON‐A‐HAM2.3 because negative AOT biases over the Amazon, the African rain forest, and the northern Indian Ocean are no longer compensated by high biases over the sub‐tropical oceans. ICON‐A‐HAM2.3 shows a moderate improvement with respect to AOT observations at AERONET sites. A multivariable bias score combining biases of several meteorological variables into a single number is larger in ICON‐A‐HAM2.3 compared to standard ICON‐A and standard ECHAM6.3. In the tropics, this multivariable bias is of similar magnitude in ICON‐A‐HAM2.3 and in ECHAM6.3‐HAM2.3. In the extra‐tropics, a smaller multivariable bias is found for ICON‐A‐HAM2.3 than for ECHAM6.3‐HAM2.3.

54 ENVIRONMENTAL SCIENCES↗

Fine-scale application of WRF-CAM5 during a dust storm episode over East Asia: Sensitivity to grid resolutions and aerosol activation parameterizations

An advanced online-coupled meteorology and chemistry model WRF-CAM5 has been applied to East Asia using triple-nested domains at different grid resolutions (i.e., 36-, 12-, and 4-km) to simulate a severe dust storm period in spring 2010. Analyses are performed to evaluate the model performance and investigate model sensitivity to different horizontal grid sizes and aerosol activation parameterizations and to examine aerosol-cloud interactions and their impacts on the air quality. A comprehensive model evaluation of the baseline simulations using the default Abdul-Razzak and Ghan (AG) aerosol activation scheme shows that the model can well predict major meteorological variables such as 2-m temperature (T2), water vapor mixing ratio (Q2), 10-m wind speed (WS10) and wind direction (WD10), and shortwave and longwave radiation across different resolutions with domain-average normalized mean biases typically within±15%. The baseline simulations also show moderate biases for precipitation and moderate-to-large underpredictions for other major variables associated with aerosol-cloud interactions such as cloud droplet number concentration (CDNC), cloud optical thickness (COT), and cloud liquid water path (LWP) due to uncertainties or limitations in the aerosol-cloud treatments. The model performance is sensitive to grid resolutions, especially for surface meteorological variables such as T2, Q2, WS10, and WD10, with the performance generally improving at finer grid resolutions for those variables. Comparison of the sensitivity simulations with an alternative (i.e., the Fountoukis and Nenes (FN) series scheme) and the default (i.e., AG scheme) aerosol activation scheme shows that the former predicts larger values for cloud variables such as CDNC and COT across all grid resolutions and improves the overall domain-average model performance for many cloud/radiation variables and precipitation. Sensitivity simulations using the FN series scheme also have large impacts on radiations, T2, precipitation, and air quality (e.g., decreasing O3) through complex aerosol-radiation-cloud-chemistry feedbacks. The inclusion of adsorptive activation of dust particles in the FN series scheme has similar impacts on the meteorology and air quality but to lesser extent as compared to differences between the FN series and AG schemes. Compared to the overall differences between the FN series and AG schemes, impacts of adsorptive activation of dust particles can contribute significantly to the increase of total CDNC (~45%) during dust storm events and indicate their importance in modulating regional climate over East Asia.

WRF-CAM5, Aerosol activation, adsorptive activatio↗

Reconciling and Improving Formulations for Thermodynamics and Conservation Principles in Earth System Models (ESMs)

Abstract This paper provides a comprehensive derivation of the total energy equations for the atmospheric components of Earth System Models (ESMs). The assumptions and approximations made in this derivation are motivated and discussed. In particular, it is emphasized that closing the energy budget is conceptually challenging and hard to achieve in practice without resorting to ad hoc fixers. As a concrete example, the energy budget terms are diagnosed in a realistic climate simulation using a global atmosphere model. The largest total energy errors in this example are spurious dynamical core energy dissipation, thermodynamic inconsistencies (e.g., coupling parameterizations with the host model) and missing processes/terms associated with falling precipitation and evaporation (e.g., enthalpy flux between components). The latter two errors are not, in general, reduced by increasing horizontal resolution. They are due to incomplete thermodynamic and dynamic formulations. Future research directions are proposed to reconcile and improve thermodynamics formulations and conservation principles.

54 ENVIRONMENTAL SCIENCES↗

Integrated parameter and process learning for hydrologic and biogeochemical modules in Earth System Models

Focus area: Primary focal area #2; secondary focal area #3: Learning about parameters and processes of land surface hydrologic and biogeochemical models in Earth System models by integrating machine learning, physics, and big data. Science challenges: How do we maximally leverage big-data observations to improve hydrobiogeochemical process description and parameterization so that such modules more realistically capture hydrologic and vegetation responses and feedbacks under the future climate? For example, how can we leverage physics, limited observations of vegetation and streamflow to better estimate evapotranspiration, and, relatedly, net primary productivity, especially for drought areas? Vegetation plays a critical role in regional and global water cycles; however, existing vegetation models have failed to predict vegetation response to droughts (McDowell & Xu, 2017) , arctic greening (Keenan & Riley, 2018) , and critical transitions between forest and savanna (Hirota et al., 2011) . These studies suggest that when we build process-based models (PBM) parameterized from regional and global plant traits, we tend to poorly describe plant adaptation and local-scale competition processes. The models and their associated parameters assigned for different regions in the world are not capturing essential heterogeneity in vegetation responses at finer spatial scales. Many parameters of the land surface models control hydrology and vegetation dynamics at the same time. The heterogeneity in vegetation response is a function of (i) plant type, (ii) plant size, (iii) competition and succession, (iv) environmental controls, and (v) local variations due to the unique ecological community that are very difficult to describe (e.g., the size of gaps resulting from fire that facilitated the coexistence of pioneering species). In the demographic models, only factors (i) and (iv) were captured, and plant types were generally described only by leaf phenology and climate zones. With current demographic models, we generally consider more traits to define plant types (i) and calibrate these traits to consider factors (ii), (iii) and (iv); however, it is substantially challenging to scale to regional and global simulations due to trait variations across space (Ali et al., 2016). Moreover, it has been noted that hillslope processes, including ridge-to-valley flow and sunny vs. shady slopes are primary organizers of water, energy, and vegetation (Clark et al., 2015; Fan et al., 2019) . Although gradual improvements in the hydrologic model component in earth system models may reduce this error (at a remarkably slow pace), the long-term, gradual impact of hydrology on plant traits are not well captured. Recent work showed that the hydrologic controls exerted by groundwater and lateral flow are primary regulators of rooting depth (Fan et al., 2017) . Such hydrologic controls have seldom been reflected in vegetation model parameterizations.

54 ENVIRONMENTAL SCIENCES↗

Quantifying the Role of Ocean Dynamics in SST Variability across GCMs and Observations

Abstract Midlatitude SSTs forced by mesoscale oceanic processes can affect the large-scale atmosphere, pointing to the ocean’s crucial role outside the tropics. Previous studies have shown oceanic mesoscale processes’ effect on global and regional climate variability. This study quantifies the local contribution of ocean dynamics to mixed-layer temperature across the globe by directly estimating the ocean heat flux divergence resolved by state-of-the-art ocean reanalysis, eddy-resolving, and eddy-parameterized versions of two U.S. national climate models and indirectly from air–sea flux satellite-based estimates. Our results show that the eddy-resolving climate simulations resolve mixed-layer temperature variances that are larger and closer to those inferred from observations than both their eddy-parameterized counterparts and ECCO over much of the extratropics. The observations and the eddy-resolving models indicate a more significant role of ocean dynamics in the mixed-layer temperature variability than the surface fluxes over most extratropics compared to their eddy-parameterized versions. A frequency domain analysis shows that the better-resolved ocean mesoscale and thermal gradients enhance the variance over a time scale from 2 months to 30 years. Results show agreement in the ocean’s contribution among satellite-based estimates, ocean reanalysis products, and ocean eddy-resolving simulations. At the same time, differences emerge for ECCO and the eddy-parameterized models, suggesting that surface fluxes account for a larger fraction of the mixed-layer temperature variability in most of the extratropics.

Siqueira, L.↗

Enhancing Convection Parameterization for Next Generation E3SM (Final Technical Report)

This technical report summarizes the achievements during the project period. The general goal of the project is to enhance the representation of atmospheric deep convection in the DOE global climate model E3SM. By implementing a stochastic convection scheme into E3SM, we improved the simulation of precipitation intensity and frequency. As a result, it has a profound impact on the simulation of other fields in the model, including aerosol scavenging by precipitation and aerosol radiative effects. We also implemented a convective cloud microphysics scheme into E3SMv2 to represent more accurately the interaction between convection and grid-scale clouds. An extensive analysis of model simulations as part of the Next Generation Development (NGD) convection scheme assessment project found that including the convective microphysics scheme improved the simulation of Madden-Julian oscillations (MJO) in the model. To make convective parameterization schemes more scale-aware as the GCM resolution increases, we analyzed the output from cloud-resolving model (CRM) simulations of both organized and unorganized convection by coarse-graining the CRM data to different GCM resolutions. Using a novel approach to modify the convective closure, we demonstrated that the convection scheme used in E3SM (ZM scheme) can be made scale-aware.

54 ENVIRONMENTAL SCIENCES↗

Observational constraints on wet and dry deposition of black carbon to land surfaces (Final Report)

This project focused on providing observational constraints on dry deposition of black carbon and aerosol particles, and the extent to which wet and dry deposition impacts the lifetime of aerosols in the atmosphere. The proposed work tackled the following questions: To what extent dry versus wet deposition controls the removal of BC from the atmosphere, and thus atmospheric BC concentrations? Is BC dry deposition controlled by the same processes as non-refractory aerosol dry deposition? We successfully made eddy covariance flux measurements at the DOE Southern Great Plains site of size-resolved aerosol number fluxes with an ultra high sensitivity aerosol spectrometer (UHSAS) and of black carbon mass and number fluxes using a single particle soot photometer (SP2). We also collected precipitation samples for off-line measurement of rBC using a wet deposition collector. Using these measurements, we identified that wet deposition was the dominant control for black carbon lifetime, but that dry deposition was poorly constrained in models. We developed a new parameterization for particle dry deposition, and applied it to global models to demonstrate the importance of dry deposition in air pollution and radiative effect estimates.

54 ENVIRONMENTAL SCIENCES↗

Convection-Permitting Simulations With the E3SM Global Atmosphere Model

This paper describes the first implementation of the Δx = 3.25 km version of the Energy Exascale Earth System Model (E3SM) global atmosphere model and its behavior in a 40-day prescribed-sea-surface-temperature simulation (January 20 through February 28, 2020). This simulation was performed as part of the DYnamics of the Atmospheric general circulation Modeled On Non-hydrostatic Domains (DYAMOND) Phase 2 model intercomparison. Effective resolution is found to be ~ 6x the horizontal dynamics grid resolution despite using a coarser grid for physical parameterizations. Despite this new model being in an immature and untuned state, moving to 3.25 km grid spacing solves several long-standing problems with the E3SM model. In particular, Amazon precipitation is much more realistic, the frequency of light and heavy precipitation is improved, agreement between the simulated and observed diurnal cycle of tropical precipitation is excellent, and the vertical structure of tropical convection and coastal stratocumulus look good. In addition, the new model is able to capture the frequency and structure of important weather events (e.g., tropical cyclones, extratropical cyclones including atmospheric rivers, and cold air outbreaks). Interestingly, this model does not get rid of the erroneous southern branch of the intertropical convergence zone nor the tendency for strongest convection to occur over the Maritime Continent rather than the West Pacific, both of which are classic climate model biases. Several other problems with the simulation are identified, underscoring the fact that this model is a work in progress.

54 ENVIRONMENTAL SCIENCES↗

Plasma-catalyst modeling for materials selection: challenges and opportunities in nitrogen oxidation

Reliable kinetic models are essential to rationalize observations and to guide the selection of appropriate plasma-catalyst combinations. Kinetic models coupling plasma- and heterogeneous-catalytic-chemistries, however, are primitive. Here, we combine reduced plasma chemistries and density functional theory parameterized surface reactions to model NO formation from N2 oxidation, an alternative nitrogen fixation process. We first show plasma excited species can enhance turnover frequencies of both Pt and Au. The enhancing potential is a function of plasma species and their densities. We then compare NO production between plasma/Pt and plasma/Au with an integral reactor model and explore the dependence of NO production as a function of plasma conditions, reactor configurations and chemical compositions. Plasma/Pt generates more NO than plasma/Au under most thermal and plasma parametric conditions. Plasma/Au outperforms plasma/Pt under high plasma excitations at low temperatures. Furthermore, these results highlight that selection of plasma-catalyst combinations should consider the properties of plasmas, materials and the coupling of the two.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Modeling Helium Segregation to the Surfaces of Plasma-Exposed Tungsten as a Function of Temperature and Surface Orientation

We provide a description of the dependence on surface crystallographic orientation and temperature of the segregation of helium implanted with energies consistent with low-energy plasma exposure to tungsten surfaces. Here, we describe multiscale modeling results based on a hierarchical approach to scale bridging that incorporates atomistic studies based on a reliable interatomic potential to parameterize a spatially dependent drift-diffusion-reaction cluster-dynamics code. An extensive set of molecular dynamics (MD) simulations has been performed at 933 K and/or 1200 K to determine the probabilities of desorption and modified trap mutation that occurs as small, mobile Hen (1 ≤ n ≤ 7) clusters diffuse from the near-surface region toward surfaces of varying crystallographic orientation due to an elastic interaction force that provides the thermodynamic driving force for surface segregation. These near-surface cluster dynamics have significant effects on the surface morphology, the near-surface defect structures, and the amount of helium retained in the material upon plasma exposure, for which we have developed an extensive MD database of cumulative evolution during high-flux helium implantation at 933 K, which we compare to our properly parameterized cluster-dynamics model. This validated model is then used to evaluate the effects of temperature on helium retention and subsurface helium clustering.

Blondel, Sophie↗

Transforming the representation of the boundary layer and low clouds for high-resolution regional climate modeling: Final report

Stratocumulus and shallow cumulus clouds in subtropical oceanic regions (e.g., Southeast Pacific) cover thousands of square kilometers and play a key role in regulating global climate (e.g., Klein and Hartmann, 1993). Numerical modeling is an essential tool to study these clouds in regional and global systems, but the current generation of climate and weather models has difficulties in representing them in a realistic way (e.g., Siebesma et al., 2004; Stevens et al., 2007; Teixeira et al., 2011). While numerical models resolve the large-scale flow, subgrid-scale parameterizations are needed to estimate small-scale properties (e.g. boundary layer turbulence and convection, clouds, radiation), which have significant influence on the resolved scale due to the complex nonlinear nature of the atmosphere. To represent the contribution of these fine-scale processes to the resolved scale, climate models use various parameterizations, which are the main pieces in the model that contribute to the low clouds dynamics and therefore are the major sources of errors or approximations in their representation. In this project, we aim to 1) improve our understanding of the physical processes in thermal circulation and cloud formation, 2) examine the performance and sensitivity of various parameterizations in the regional weather model (Weather Research and Forecasting model; WRF), and 3) develop, implement, and evaluate the advanced boundary layer parameterization in the regional model to better represent stratocumulus, shallow cumulus, and their transition. Thus, this project includes three major corresponding studies. We find that the mean diurnal cycle is sensitive to model domain in ways that reveal the existence of different contributions originating from the Southeast Pacific land-masses. The experiments suggest that diurnal variations in circulations and thermal structures over this region are influenced by convection over the Peruvian sector of the Andes cordillera, while the mostly dry mountain-breeze circulations force an additional component that results in semi-diurnal variations near the coast. A series of numerical tests, however, reveal sensitivity of the simulations to the choice of vertical grid, limiting the possibility of solid quantitative statements on the amplitudes and phases of the diurnal and semidiurnal components across the domain. According to our experiments, the Mellor-Yamada-Nakanishi-Niino (MYNN) boundary layer scheme and the WSM6 microphysics scheme is the combination of schemes that performs best. For that combination, mean cloud cover, liquid water path, and cloud depth are fairly wellsimulated, while mean cloud top height remains too low in comparison to observations. Both microphysics and boundary layer schemes contribute to the spread in liquid water path and cloud depth, although the microphysics contribution is slightly more prominent. Boundary layer schemes are the primary contributors to cloud top height, degree of adiabaticity, and cloud cover. Cloud top height is closely related to surface fluxes and boundary layer structure. Thus, our study infers that an appropriate tuning of cloud top height would likely improve the low-cloud representation in the model. Finally, we show that entrainment governs the degree of adiabaticity, while boundary layer decoupling is a control on cloud cover. In the intercomparison study using WRF single-column model experiments, most parameterizations show a poor agreement of the vertical boundary layer structure when compared with large-eddy simulation models. We also implement a new Total-Energy/Mass- Flux boundary layer scheme into the WRF model and evaluate its ability to simulate both stratocumulus and shallow cumulus clouds. Result comparisons against large-eddy simulation show that this advanced parameterization based on the new Eddy-Diffusivity/Mass-Flux approach provides a better performance than other boundary layer parameterizations.

54 ENVIRONMENTAL SCIENCES↗

Prognostic simulations of mixed-phase clouds with model AC-1D v1.0: the impact of aerosol types and freezing parameterizations on ice crystal budgets

Mixed-phase clouds at high latitudes contribute to the uncertainty in predicting cloud feedbacks and climate sensitivity, mainly due to the complexity of microphysical processes that influence the partitioning between the supercooled liquid and ice phases, and hence, cloud radiative effects on regional scales. Particularly in Arctic mixed-phase clouds, the activation of ice-nucleating particles (INPs) from various aerosol populations remains a leading source of uncertainty. We developed an aerosol-cloud one-dimensional (AC-1D) model, which provides a novel framework to prognostically treat INP and ice crystal budgets while explicitly accounting for polydisperse and multicomponent aerosol that activate INPs following different freezing parameterizations. The AC-1D model is informed by large-eddy simulations to probe the impact of INP representation on predicted ice crystal number concentrations (N i ) and ice crystal budgets in mixed-phase Arctic stratus. We apply three immersion freezing (IMF) parameterizations, two time-independent (singular) and one time-dependent (classical nucleation theory), to predict the evolution of the INP reservoir and resulting ice crystal budget from polydisperse mineral dust, organic (humic-like substances), and sea spray aerosol particle size distributions. Our analysis focuses on how variations in aerosol number concentration and cloud system parameters such as cloud cooling rate, cloud-top entrainment rate, and ice crystal fall speed influence the INP reservoir and ice crystal budgets. Furthermore, this study investigates the competitive ice nucleation dynamics in mixed aerosol environments and provides a process-level quantification of the INP budget terms, which directly controls ice crystal budgets. For all studied case scenarios, the aerosol types and associated particle size distributions significantly impact INP and N i , and the choice between a time-dependent and a singular freezing description yields orders-of-magnitude differences in the predicted INP and N i over the 10 h simulation time, reflecting typical cloud lifetimes. Our results show that the influence of cloud cooling, INP entrainment, and sedimentation varies significantly depending on the chosen freezing parameterization. These findings underscore the critical need for robust IMF parameterizations and precise cloud system observations to enhance the accuracy of models in predicting mixed-phase cloud structure and evolution.

Arctic clouds↗

Weighing neutrinos in the scenario of vacuum energy interacting with cold dark matter: application of the parameterized post-Friedmann approach

We constrain the neutrino mass in the scenario of vacuum energy interacting with cold dark matter by using current cosmological observations. To avoid the large-scale instability problem in interacting dark energy models, we employ the parameterized post-Friedmann (PPF) approach to do the calculation of perturbation evolution, for the Q = β H ρ{sub c} and Q = β H ρ{sub Λ} models. The current observational data sets used in this work include Planck (cosmic microwave background), BSH (baryon acoustic oscillations, type Ia supernovae, and Hubble constant), and LSS (redshift space distortions and weak lensing). According to the constraint results, we find that β > 0 at more than 1σ level for the Q = β H ρ{sub c} model, which indicates that cold dark matter decays into vacuum energy; while β = 0 is consistent with the current data at 1σ level for the Q = β H ρ{sub Λ} model. Taking the ΛCDM model as a baseline model, we find that a smaller upper limit, ∑ m {sub ν} < 0.11 eV (2σ), is induced by the latest BAO BOSS DR12 data and the Hubble constant measurement H {sub 0} = 73.00 ± 1.75 km s{sup −1} Mpc{sup −1}. For the Q = β H ρ{sub c} model, we obtain ∑ m {sub ν}<0.20 eV (2σ) from Planck+BSH. For the Q = β H ρ{sub Λ} model, ∑ m {sub ν}<0.10 eV (2σ) and ∑ m {sub ν}<0.14 eV (2σ) are derived from Planck+BSH and Planck+BSH+LSS, respectively. We show that these smaller upper limits on ∑ m {sub ν} are affected more or less by the tension between H {sub 0} and other observational data.

79 ASTRONOMY AND ASTROPHYSICS↗

Atmospheric ice nucleation

Atmospheric ice nucleation is crucial for global precipitation and affects the structure, lifetime and reflectivity of clouds, thereby impacting climate. Ice nucleates in various ways from aerosol particles, termed ice-nucleating particles, over an extensive temperature and humidity range. Quantifying the kinetic and thermodynamic regimes of nucleation is necessary to relate fundamental physics to theoretically based predictions of ice formation for implementation in cloud and climate models. We review how the molecular picture of ice nucleation has advanced in recent years and consequential impacts on the interpretation and parameterization of ice nucleation. Advances include the role of interfacial free energy and pressure on ice nucleation rates, mobility regions of water that generate the critical ice nucleus, classical and non-classical pathways of nucleation, the type of ice polymorph that forms, the impact of solutes on freezing and the role of nanopores as surface features promoting ice nucleation. We also introduce currently debated and evaluated freezing parameterizations for application in model environments. Finally, we outline what we believe are the current needs for improving predictive understanding of ice nucleation.

54 ENVIRONMENTAL SCIENCES↗