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DOE OSTI2017

Transitioning NWChem to the Next Generation of Manycore Machines

The NorthWest chemistry (NWChem) modeling software is a popular molecular chemistry simulation software that was designed from the start to work on massively parallel processing supercomputers [1-3]. It contains an umbrella of modules that today includes self-consistent eld (SCF), second order Møller-Plesset perturbation theory (MP2), coupled cluster (CC), multiconguration self-consistent eld (MCSCF), selected conguration interaction (CI), tensor contraction engine (TCE) many body methods, density functional theory (DFT), time-dependent density functional theory (TDDFT), real-time time-dependent density functional theory, pseudopotential plane-wave density functional theory (PSPW), band structure (BAND), ab initio molecular dynamics (AIMD), Car-Parrinello molecular dynamics (MD), classical MD, hybrid quantum mechanics molecular mechanics (QM/MM), hybrid ab initio molecular dynamics molecular mechanics (AIMD/MM), gauge independent atomic orbital nuclear magnetic resonance (GIAO NMR), conductor like screening solvation model (COSMO), conductor-like screening solvation model based on density (COSMO-SMD), and reference interaction site model (RISM) solvation models, free energy simulations, reaction path optimization, parallel in time, among other capabilities [4]. Moreover, new capabilities continue to be added with each new release.

Bylaska, Eric J.↗

NASA NTRS1985

The Venus ionosphere

Physical properties of the Venus ionosphere obtained by experiments on the US Pioneer Venus and the Soviet Venera missions are presented in the form of models suitable for inclusion in the Venus International Reference Atmosphere. The models comprise electron density (from 120 km), electron and ion temperatures, and relative ion abundance in the altitude range from 150 km to 1000 km for solar zenith angles from 0 to 180 deg. In addition, information on ion transport velocities, ionopause altitudes, and magnetic field characteristics of the Venus ionosphere, are presented in tabular or graphical form. Also discussed is the solar control of the physical properties of the Venus ionosphere.

Bauer, S. J.↗

NASA NTRS1950

Investigation of the Model ME 210 in the Spin Wind Tunnel of the DVL: Model with Long Fuselage and with a VEE Tail - Report 4

After conclusion of the spin investigation of the model Me 210 with elongated fuselage and central vertical tail surfaces (model condition III; reference 3), tests were performed on the same model with a vee tail (model condition IV). Here the entire tail surfaces consist of only one surface with pronounced dihedral. Since the blanketing of the vertical tail surfaces by the horizontal tail surfaces, which may occur in case of standard tail surfaces, does not occur here, one could expect for this type of tail surface favorable spin characteristics, particularly with respect to rudder effectiveness for spin recovery. However, the test results did not confirm these expectations. The steady spin was shown to be very irregular; regarding rudder effectiveness the vee tail surfaces proved to be inferior even to standard tail surfaces, thus they represent the most unfavorable of the four fuselage and tail-surface combinations investigated so far.

Huffschmid, A↗

NASA NTRS2000

Application of Energy Integration Techniques to the Design of Advanced Life Support Systems

Exchanging heat between hot and cold streams within an advanced life support system can save energy. This savings will reduce the equivalent system mass (ESM) of the system. Different system configurations are examined under steady-state conditions for various percentages of food growth and waste treatment. The scenarios investigated represent possible design options for a Mars reference mission. Reference mission definitions are drawn from the ALSS Modeling and Analysis Reference Missions Document, which includes definitions for space station evolution, Mars landers, and a Mars base. For each scenario, streams requiring heating or cooling are identified and characterized by mass flow, supply and target temperatures and heat capacities. The Pinch Technique is applied to identify good matches for energy exchange between the hot and cold streams and to calculate the minimum external heating and cooling requirements for the system. For each pair of hot and cold streams that are matched, there will be a reduction in the amount of external heating and cooling required, and the original heating and cooling equipment will be replaced with a heat exchanger. The net cost savings can be either positive or negative for each stream pairing, and the priority for implementing each pairing can be ranked according to its potential cost savings. Using the Pinch technique, a complete system heat exchange network is developed and heat exchangers are sized to allow for calculation of ESM. The energy-integrated design typically has a lower total ESM than the original design with no energy integration. A comparison of ESM savings in each of the scenarios is made to direct future Pinch Analysis efforts.

Levri, Julie↗

DOE OSTI2016

Reference aquaplanet climate in the Community Atmosphere Model, Version 5

In this study, fundamental characteristics of the aquaplanet climate simulated by the Community Atmosphere Model, Version 5.3 (CAM5.3) are presented. The assumptions and simplifications of the configuration are described. A 16 year long, perpetual equinox integration with prescribed SST using the model’s standard 18 grid spacing is presented as a reference simulation. Statistical analysis is presented that shows similar aquaplanet configurations can be run for about 2 years to obtain robust climatological structures, including global and zonal means, eddy statistics, and precipitation distributions. Such a simulation can be compared to the reference simulation to discern differences in the climate, including an assessment of confidence in the differences. To aid such comparisons, the reference simulation has been made available via earthsystemgrid.org. Examples are shown comparing the reference simulation with simulations from the CAM5 series that make different microphysical assumptions and use a different dynamical core.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

Evaluation of CASL boiling model for DNB performance in full scale 5x5 fuel bundle with spacer grids

As one of main tasks for FY17 CASL-THM activity, Evaluation study on applicability of the CASL baseline boiling model for 5x5 DNB application is conducted and the predictive capability of the DNB analysis is reported here. While the baseline CASL-boiling model (GEN- 1A) approach has been successfully implemented and validated with a single pipe application in the previous year’s task, the extended DNB validation for realistic sub-channels with detailed spacer grid configurations are tasked in FY17. The focus area of the current study is to demonstrate the robustness and feasibility of the CASL baseline boiling model for DNB performance in a full 5x5 fuel bundle application. A quantitative evaluation of the DNB predictive capability is performed by comparing with corresponding experimental measurements (i.e. reference for the model validation). The reference data are provided from the Westinghouse Electricity Company (WEC). Two different grid configurations tested here include Non-Mixing Vane Grid (NMVG), and Mixing Vane Grid (MVG). Thorough validation studies with two sub-channel configurations are performed at a wide range of realistic PWR operational conditions.

42 ENGINEERING↗

DOE OSTI2021

Accurate Simulation of Both Sensitivity and Variability for Amazonian Photosynthesis: Is It Too Much to Ask?

Abstract Estimates of Amazon rainforest gross primary productivity (GPP) differ by a factor of 2 across a suite of three statistical and 18 process models. This wide spread contributes uncertainty to predictions of future climate. We compare the mean and variance of GPP from these models to that of GPP at six eddy covariance (EC) towers. Only one model's mean GPP across all sites falls within a 99% confidence interval for EC GPP, and only one model matches EC variance. The strength of model response to climate drivers is related to model ability to match the seasonal pattern of the EC GPP. Models with stronger seasonal swings in GPP have stronger responses to rain, light, and temperature than does EC GPP. The model to data comparison illustrates a trade‐off inherent to deterministic models between accurate simulation of a mean (average) and accurate responsiveness to drivers. The trade‐off exists because all deterministic models simplify processes and lack at least some consequential driver or interaction. If a model's sensitivities to included drivers and their interactions are accurate, then deterministically predicted outcomes have less variability than is realistic. If a GPP model has stronger responses to climate drivers than found in data, model predictions may match the observed variance and seasonal pattern but are likely to overpredict GPP response to climate change. High or realistic variability of model estimates relative to reference data indicate that the model is hypersensitive to one or more drivers.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Rooftop unit comparison calculator: a framework for comparing performance of rooftop units with building energy simulation

The applications of building energy simulation (BES) in designing heating, ventilation, and air conditioning (HVAC) systems are limited by the high costs of developing simulation models and the lack of references for determining the model parameters. This paper presents a software framework for selecting designs for rooftop unit HVAC (RTU) systems with BES. Specifically, this framework reduces the cost of using BES by automating the generation of EnergyPlus models. It also employs a systematic method for determining model parameters based on well-accepted datasets. We applied this framework in a comprehensive assessment of an advanced design of RTU systems in which 478 EnergyPlus models were developed without human involvement. The assessment reveals that replacing a constant-speed fan/coil with a multiple-speed fan/coil may not guarantee better overall performance. In conclusion, it also suggests the benefits of replacing furnace coils with heat pumps are subject to utility cost, weather conditions, and heating load profiles.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2012

Global 3-D Ionospheric Electron Density Reanalysis Based on Multisource Data Assimilation

We report preliminary results of a global 3-D ionospheric electron density reanalysis demonstration study during 2002-2011 based on multisource data assimilation. The monthly global ionospheric electron density reanalysis has been done by assimilating the quiet days ionospheric data into a data assimilation model constructed using the International Reference Ionosphere (IRI) 2007 model and a Kalman filter technique. These data include global navigation satellite system (GNSS) observations of ionospheric total electron content (TEC) from ground-based stations, ionospheric radio occultations by CHAMP, GRACE, COSMIC, SAC-C, Metop-A, and the TerraSAR-X satellites, and Jason-1 and 2 altimeter TEC measurements. The output of the reanalysis are 3-D gridded ionospheric electron densities with temporal and spatial resolutions of 1 h in universal time, 5deg in latitude, 10deg in longitude, and approx.30 km in altitude. The climatological features of the reanalysis results, such as solar activity dependence, seasonal variations, and the global morphology of the ionosphere, agree well with those in the empirical models and observations. The global electron content derived from the international GNSS service global ionospheric maps, the observed electron density profiles from the Poker Flat Incoherent Scatter Radar during 2007-2010, and foF2 observed by the global ionosonde network during 2002-2011 are used to validate the reanalysis method. All comparisons show that the reanalysis have smaller deviations and biases than the IRI-2007 predictions. Especially after April 2006 when the six COSMIC satellites were launched, the reanalysis shows significant improvement over the IRI predictions. The obvious overestimation of the low-latitude ionospheric F region densities by the IRI model during the 23/24 solar minimum is corrected well by the reanalysis. The potential application and improvements of the reanalysis are also discussed.

Xinan Yue↗

NASA NTRSDate not supplied

Machine Learning based Aircraft Performance Model Estimation for Trajectory Prediction

The accurate prediction of aircraft trajectory by ground-based decision support tools is a critical component of air traffic management in the US National Airspace System (NAS). Accurate predictions of where the aircraft will be in the future or when they will arrive at specific locations (e.g., fixes) is a key enabler for sequencing and efficient arrival management of flights. Traditional physics based aircraft trajectory prediction relies on a simplified point-mass total energy model whose parameters are referred to as Aircraft Performance Model (APM) parameters. Even though the performance coefficients and weight of an aircraft are a vital part of the aircraft performance model’s predictions and accuracy, these coefficients are proprietary in nature and therefore, unavailable to decision-support tools. Current approaches freeze some coefficients to default base of aircraft data (BADA) values and optimize others. However, the APM parameters are highly coupled by the flight dynamics and prioritizing one parameter over others leads to bias and skewed predictions. To alleviate this problem, we provide a combined optimization framework to predict all the critical (thrust, drag and weight) APM parameters. This paper is focused on training Machine Learning (ML) models that map historical flights to optimized APM parameters that provide the best fit (in terms of prediction error). Our dataset obtained from NASA’s Sherlock data warehouse is comprised of thousands of historical flights and includes weather and track data collected from 2019. Using different subsets of relevant features (e.g., aircraft type), we trained several ML models to estimate the aircraft’s take off weight, drag polar coefficients (both parasitic and lift induced), and thrust settings (multiplier applied to the maximum engine thrust). The chosen flights are from three of the most common aircraft types (B738, B737, and A320) arriving at four airports (LAX, DEN, MSP, and DFW). Our ML approach is comprised of two different solutions: 1- using a subset of features that are known prior to the flight departure and do not change during flight (such as engine type, current temperature at departure & destination airports, aircraft type) and 2 - using a subset of temporal features of the flight trajectory (such as cruise altitude, Mach, airspeed, and rate of climb) in addition to the pre-departure features from the first solution. The labels or target variables are the APM parameters that were obtained by an optimized ordinary differential equations (ODE) fitting process (applied to individual flights). The ODE-fitting is very time intensive and is therefore performed offline. Thus, training an ML model to learn the relationship between the flight features and ODE-generated labels enables faster estimation of the APM parameters and is therefore amenable to real-time prediction. Various ML models including linear regression, random forest, XGBoost, and neural network were trained, and the results are compared. After model validation and hyperparameter-tuning, we observed that the Random Forest model outperformed the other three models by the overall mean square error (MSE) of 2% for the first solution and 1.5% for the second solution. Finally, the ML-derived parameters are compared against default BADA APM parameters using NASA’s Autonomy Development toolkit (ADK) simulation software. The simulation results for one of each aircraft type is shown and discussed.

Aida Sharif Rohani↗

NASA NTRS2011

Development of Head Injury Assessment Reference Values Based on NASA Injury Modeling

NASA is developing a new capsule-based, crewed vehicle that will land in the ocean, and the space agency desires to reduce the risk of injury from impact during these landings. Because landing impact occurs for each flight and the crew might need to perform egress tasks, current injury assessment reference values (IARV) were deemed insufficient. Because NASCAR occupant restraint systems are more effective than the systems used to determine the current IARVs and are similar to NASA s proposed restraint system, an analysis of NASCAR impacts was performed to develop new IARVs that may be more relevant to NASA s context of vehicle landing operations. Head IARVs associated with race car impacts were investigated by completing a detailed analysis of all of the 2002-2008 NASCAR impact data. Specific inclusion and exclusion criteria were used to select 4071 impacts from the 4015 recorder files provided (each file could contain multiple impact events). Of the 4071 accepted impacts, 274 were selected for numerical simulation using a custom NASCAR restraint system and Humanetics Hybrid-III 50th percentile numerical dummy model in LS-DYNA. Injury had occurred in 32 of the 274 selected impacts, and 27 of those injuries involved the head. A majority of the head injuries were mild concussions with or without brief loss of consciousness. The 242 non-injury impacts were randomly selected and representative of the range of crash dynamics present in the total set of 4071 impacts. Head dynamics data (head translational acceleration, translational change in velocity, rotational acceleration, rotational velocity, HIC-15, HIC-36, and the Head 3ms clip) were filtered according to SAE J211 specifications and then transformed to a log scale. The probability of head injury was estimated using a separate logistic regression analysis for each log-transformed predictor candidate. Using the log transformation constrains the estimated probability of injury to become negligible as IARVs approach zero. For the parameters head translational acceleration, head translational velocity change, head rotational acceleration, HIC-15, and HIC-36, conservative values (in the lower 95% confidence interval) that gave rise to a 5% risk of any injury occurring were estimated as 40.0 G, 7.9 m/s, 2200 rad/s2, 98.4, and 77.4 respectively. Because NASA is interested in the consequence of any particular injury on the ability of the crew to perform egress tasks, the head injuries that occurred in the NASCAR dataset were classified according to a NASA-developed scale (Classes I - III) for operationally relevant injuries, which classifies injuries on the basis of their operational significance. Additional analysis of the data was performed to determine the probability of each injury class occurring, and this was estimated using an ordered probit model. For head translational acceleration, head translational velocity change, head rotational acceleration, head rotational velocity, HIC-36, and head 3ms clip, conservative values of IARVs that produced a 5% risk of Class II injury were estimated as 50.7 G, 9.5 m/s, 2863 rad/s2, 11.0 rad/s, 30.3, and 46.4 G respectively. The results indicate that head IARVs developed from the NASCAR dataset may be useful to protect crews during landing impact.

Somers, Jeffrey T.↗

DOE OSTI2019

initMIP-Antarctica: an ice sheet model initialization experiment of ISMIP6

Ice sheet numerical modeling is an important tool to estimate the dynamic contribution of the Antarctic ice sheet to sea level rise over the coming centuries. The influence of initial conditions on ice sheet model simulations, however, is still unclear. To better understand this influence, an initial state intercomparison exercise (initMIP) has been developed to compare, evaluate, and improve initialization procedures and estimate their impact on century-scale simulations. initMIP is the first set of experiments of the Ice Sheet Model Intercomparison Project for CMIP6 (ISMIP6), which is the primary Coupled Model Intercomparison Project Phase 6 (CMIP6) activity focusing on the Greenland and Antarctic ice sheets. Following initMIP-Greenland, initMIP-Antarctica has been designed to explore uncertainties associated with model initialization and spin-up and to evaluate the impact of changes in external forcings. Starting from the state of the Antarctic ice sheet at the end of the initialization procedure, three forward experiments are each run for 100 years: a control run, a run with a surface mass balance anomaly, and a run with a basal melting anomaly beneath floating ice. This study presents the results of initMIP-Antarctica from 25 simulations performed by 16 international modeling groups. The submitted results use different initial conditions and initialization methods, as well as ice flow model parameters and reference external forcings. We find a good agreement among model responses to the surface mass balance anomaly but large variations in responses to the basal melting anomaly. These variations can be attributed to differences in the extent of ice shelves and their upstream tributaries, the numerical treatment of grounding line, and the initial ocean conditions applied, suggesting that ongoing efforts to better represent ice shelves in continental-scale models should continue.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1988

Study of ionospheric models for satellite orbit determination

Means of improving the accuracy of the ionospheric correction of two empirical ionospheric models, the Bent (Schmid et al. 1973) and international reference ionosphere (IRI) models, have been evaluated. An improved IRI topside formula is found to minimize the tendency for the electron density profile to decrease too sharply with increasing altitude, and is shown to produce results which compare well with satellite data and ground-based incoherent scatter measurements. A model for the effective parabolic thickness is proposed for the bottomside. Comparison with results from a Meteosat tracking exercise demonstrates that the present changes improve the overall accuracy of ionospheric delays calculated using the two models.

Bilitza, D.↗

NASA NTRS2019

initMIP-Antarctica: an Ice Sheet Model Initialization Experiment of ISMIP6

ice sheet model↗

NASA NTRSDate not supplied

Flux Comparison of Master-8 and Ordem 3.1 Modelled Space Debris Population

With ESA’s Meteoroid And Space debris Terrestrial Environment Reference (MASTER-8) model and NASA’s Orbital Debris Engineering Model(ORDEM) 3.1, the two premier orbital debris engineering models have been officially released. The two models come with significant enhancements and now represent state-of-the-art orbital debris modelling for their respective agencies. Both models provide the community with estimates of the space debris environment from low Earth orbit (LEO) up to at least geostationary altitude. The MASTER population is an event-based simulation of all known events that generate debris and objects that are part of the U.S. Space Surveillance Network (SSN) catalog, which provides coverage of objects with diameters down to approximately 10cm in LEO and 1 m in geosynchronous Earth orbit (GEO). Different models are used to simulate the artificial objects and their orbit evolution over time. These models are called “sources” since they assign an origin to each individual object and consist of fragments, solid rocket motor (SRM) remainders, sodium-potassium(NaK) droplets, paintflakes, ejecta, and multi-layer insulation (MLI) fragments. The objects from each source are characterized by having individual release mechanisms, as well as orbital distributions, material composition, size, and mass distributions. Dedicated radar and telescope observation data is used to calibrate the model for objects larger than 1 cm in LEO and larger than 10 cm in GEO. For calibrating the small-sized objects, below 1 cm, impact data from returned surfaces are analyzed. Because the >1cm object population is dominated by fragments, the fragmentation event database was updated to include new events, as well as re-evaluate past events. Special attention was drawn to re-evaluating theFengyun-1C anti-satellite test from 2007 and Cosmos-Iridium collision event from 2009 since these events shape the fragment population because of their severity. After 2009, the two largest fragmentations in terms of number of tracked debris are the Briz-M explosion in 2012 and the NOAA-16explosion in 2015. In total, there are 261 confirmed fragmentations in the database up to November 2016.The baseline population for ORDEM 3.1 is based on the U.S. SSN catalog, and observational datasets from radar, in situ, and optical sources provide a foundation from which the model populations are statistically extrapolated to smaller size regions. These regions are not well-covered by the SSN catalog yet may pose the greatest threat to operational spacecraft. The NASA Standard Satellite Breakup Model is used to generate fragments greater than 1mm from collisions and explosions, and these fragment populations are scaled using ground-based radar data. Specific major debris-producing events, including the Fengyun-1C, Iridium 33, and Cosmos2251 debris clouds, and unique populations, such as NaK droplets, were re-examined, modelled, and added to the ORDEM environment separately. Optical measurement data is used to model the GEO population down to 10 cm. The debris environment is propagated using NASA’s LEO-to-GEO Environment Debris model, and future explosions of intact objects and collisions involving objects greater than 10 cm are assessed statistically. The environment from a few millimetres down to 10 𝜇m is modelled using a special degradation model where small particles are generated from intact spacecraft and rocket bodies, then the populations are scaled to fit in situ cratering data from Space Shuttle returned surfaces. Fragments smaller than 10 cm are differentiated based on material density categories, i.e., high-, medium-, and low-density, to better characterize the potential debris risk posed to upper stages and spacecraft. This paper will discuss the MASTER and ORDEM approaches for modelling populations and compare fluxes for specific orbits, including sun-synchronous, ISS-altitude, geosynchronous transfer, and GEO. In the end, a conclusion is drawn towards the importance of having multiple fundamentally different, yet validated, models to estimate the space debris population.

Andre Horstmann↗

DOE OSTI2014

Description of electron transfer in the ground and excited states of organic donor–acceptor systems by single-reference and multi-reference density functional methods

Electron transfer in the ground and excited states of a model donor–acceptor (D–A) system is investigated using the single-reference and multi-reference density functional theory (DFT) methods. To analyze the results of the calculations, a simple two-site multi-reference model was derived that predicts a stepwise electron transfer in the S{sub 0} state and a wave-like dependence of the S{sub 1} electron transfer on the external stimulus. The standard single-reference Kohn-Sham (KS) DFT approach and the time-dependent DFT (TDDFT) method failed to describe the correct dependence of the S{sub 0} and S{sub 1} electron transfer on the external electric field applied along the donor–acceptor system. The multi-reference DFT approach, the spin-restricted ensemble-referenced KS (REKS) method, was able to successfully reproduce the correct behavior of the S{sub 0} and S{sub 1} electron transfer on the applied field. The REKS method was benchmarked against experimentally measured gas phase charge transfer excitations in a series of organic donor–acceptor complexes and displayed its ability to describe this type of electronic transitions with a very high accuracy, mean absolute error of 0.05 eV with the use of the standard range separated density functionals. On the basis of the calculations undertaken in this work, it is suggested that the non-adiabatic coupling between the S{sub 0} and S{sub 1} states may interfere with the electron transfer in a weakly coupled donor–acceptor system. It is also suggested that the electronic excitation of a D{sup +}–A{sup −} system may play a dual role by assisting the further electron transfer at certain magnitudes of the applied electric field and causing the backward transfer at lower electric field strengths.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

NREL 15-kW: An Advanced Horizontal-Axis Reference Turbine for Distributed Wind

Distributed wind energy can play a significant role in the renewable energy landscape. A recent study conducted by the National Renewable Energy Laboratory (NREL) identified the lack of availability and utilization of reference wind turbine models as a major hindrance in the development of the distributed wind energy technology sector, even though such models are widely used in offshore and land-based wind research. Therefore, NREL is developing three reference wind turbine architectures, also called archetypes, for distributed wind energy applications. This paper describes the detailed design and modeling of the first of the three reference turbine archetypes, called the NREL 15-kW turbine. It is a passive-yaw, upwind turbine with a rated power of 15 kW.

17 WIND ENERGY↗

DOE OSTI2022

Disc dichotomy signature in the vertical distribution of [Mg/Fe] and the delayed gas infall scenario

Context. Analysis of the Apache Point Observatory Galactic Evolution Experiment project (APOGEE) data suggests the existence of a clear distinction between two sequences of disc stars in the [α/Fe] versus [Fe/H] abundance ratio space, known as the high- and low-α sequence, respectively. This dichotomy also emerges from an analysis of the vertical distribution of the [α/Fe] abundance ratio. Aims. We aim to test whether the revised two-infall chemical evolution models designed to reproduce the low- and high-α sequences in the [α/Fe] versus [Fe/H] ratios in the solar neighbourhood are also capable of predicting the disc bimodality observed in the vertical distribution of [Mg/Fe] in APOGEE DR16 data. Methods. Along with the chemical composition of the simple stellar populations born at different Galactic times predicted by our reference chemical evolution models in the solar vicinity, we provide their maximum vertical height above the Galactic plane |zmax| computed assuming the relation between the vertical action and stellar age in APOGEE thin-disc stars. Result. The vertical distribution of the [Mg/Fe] abundance ratio predicted by the reference chemical evolution models is in agreement with that observed when combining the APOGEE DR16 data (chemical abundances) with the astroNN catalogue (stellar ages, orbital parameters) for stars younger than 8 Gyr (only low-α sequence stars). Including the high-α disc component, the dichotomy in the vertical [Mg/Fe] abundance distribution is reproduced considering the observational cut in the Galactic height of |z|< 2 kpc. However, our model predicts an overly flat (almost constant) growth of the maximum vertical height |zmax| quantity as a function of [Mg/Fe] for high-α objects in contrast with the median values from APOGEE data. Possible explanations for such a tension are that: (i) the APOGEE sample with |z|< 2 kpc is more likely than ours to be contaminated by halo stars, causing the median values to be kinematically hotter, and (ii) external perturbations – such as minor mergers – that the Milky Way experienced in the past could have heated up the disc, and the heating of the orbits cannot be modeled by only scattering processes. Assuming a disc dissection based on chemistry for APOGEE-DR16 stars (|z|< 2 kpc), the observed |zmax| distributions for high-α and low-α sequences are in good agreement with our model predictions if we consider the errors in the vertical action estimates in the calculation. Moreover, a better agreement between predicted and observed stellar distributions at different Galactic vertical heights is achieved if asteroseismic ages are included as a constraint in the best-fit model calculations. Conclusions. The signature of a delayed gas infall episode, which gives rise to a hiatus in the star formation history of the Galaxy, are imprinted both in the [Mg/Fe] versus [Fe/H] relation and in vertical distribution of [Mg/Fe] abundances in the solar vicinity.

79 ASTRONOMY AND ASTROPHYSICS↗