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At least 217 records · Page 12

Improving IPATS Channel-to-Channel Registration Assessment

The Image Navigation and Registration (INR) Performance Assessment Tool Set (IPATS) is a primary tool for assessing INR performance of GOES-R series ABI images. IPATS assesses five INR metrics: navigation, channel-to-channel registration (CCR), frame-to-frame registration, within-frame registration, and swath-to-swath registration. It was discovered that CCR assessment results between Visible-Near-Infrared (VNIR) channels and Infrared (IR) channels exhibits an annual oscillation in the north-south (NS) direction and a diurnal oscillation in the east-west (EW) direction, with an amplitude of approximately 5 μrad and 2.5 μrad, respectively. However, differences of navigation assessment results between VNIR and IR channels do not exhibit the annual or diurnal oscillations observed in CCR results. This indicates that the observed oscillations are due to measurement errors. The characteristics of the oscillations imply that cloud shadows are a possible cause of these measurement errors. In this study, several methods are explored to minimize the impact of cloud shadows on VNIR to IR CCR assessments: a) assessment at landmark locations only; b) using navigation assessment results to filter CCR assessments; c) using the ABI clear-sky-ratio product as a cloud mask; and d) smaller CCR assessment windows. In this paper, each method and a combination of several methods are evaluated based on assessment accuracy and the number of successful assessments. The selected approach is then used to reprocess GOES-16 ABI CCR data to show reductions in the annual and diurnal measurement error oscillations.

INR↗

Comparing modelling approaches for a generic nuclear waste repository in salt

This paper contains a comparison of five modelling approaches for a simplified nuclear waste repository in a domal salt formation. It is the result of a four-year collaboration between five international teams on Task F of the DECOVALEX-2023 project on performance assessment modelling. The primary objectives of Task F are to build confidence in the models, methods, and software used for performance assessment (PA) of deep geologic nuclear waste repositories, and/or to bring to the fore additional research and development needed to improve PA methodologies. This work demonstrates how these objectives are accomplished through staged development and comparison of the models and methods used by participating teams in their PA frameworks. Participating teams made a wide range of model assumptions, ranging from compartmentalized networks to full 3D models of the salt formation and repository. Despite differences in the modelling strategies, all models indicate that salt compaction and diffusion of radionuclides in brine are key processes in the repository. For the isothermal spent nuclear fuel and vitrified waste scenario with multiple early failures considered, all models indicate little of the disposed radionuclides will migrate beyond the repository seal over the 100,000-year simulations. In general, the model output quantities have the largest differences over the short term and near the waste. Disparities between the models are believed to be due to differing simplifications from the conceptual model.

DECOVALEX↗

Standard Analysis Report INV-SAR-79, Revision 0 Chemical and Cement Components 2023 Inventory Estimates

This standard analysis report provides the estimates for the chemical (oxyanions and complexing agents) and cement components with a data collection cut-off date of December 31, 2023. These estimates will be included in a Performance Assessment Inventory Report developed for the U.S. Department of Energy (DOE) performance assessment (PA) for the 2026 Compliance Recertification Application (CRA).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Human Factors Research Under Ground-Based and Space Conditions

Session TP2 includes short reports concerning: (1) Human Factors Engineering of the International space Station Human Research Facility; (2) Structured Methods for Identifying and Correcting Potential Human Errors in Space operation; (3) An Improved Procedure for Selecting Astronauts for Extended Space Missions; (4) The NASA Performance Assessment Workstation: Cognitive Performance During Head-Down Bedrest; (5) Cognitive Performance Aboard the Life and Microgravity Spacelab; and (6) Psychophysiological Reactivity Under MIR-Simulation and Real Micro-G.

Source record↗

Performance and Environmental Assessment of an Advanced Aircraft with Open Rotor Propulsion

Application of high speed, advanced turboprops, or "propfans," to transonic transport aircraft received significant attention during the 1970s and 1980s when fuel efficiency was the driving focus of aeronautical research. Unfortunately, after fuel prices declined sharply there was no longer sufficient motivation to continue maturing this technology. Recent volatility in fuel prices and increasing concern for aviation s environmental impact, however, have renewed interest in unducted, open rotor propulsion. Because of the renewed interest in open rotor propulsion, the lack of publicly available up-to-date studies assessing its benefits, and NASA s focus on reducing fuel consumption, a preliminary aircraft system level study on open rotor propulsion was initiated to inform decisions concerning research in this area. New analysis processes were established to assess the characteristics of open rotor aircraft. These processes were then used to assess the performance, noise, and emissions characteristics of an advanced, single-aisle aircraft using open rotor propulsion. The results of this initial study indicate open rotor engines have the potential to provide significant reductions in fuel consumption and landing-takeoff cycle NOX emissions. Noise analysis of the study configuration indicates that an open rotor aircraft in the single-aisle class would be able to meet current noise regulations with margin.

Guynn, Mark D.↗

Uncertainty Modeling for Mars Ascent Vehicle’s Aerodatabase Development

The design of the Mars Ascent Vehicle - Mars Sample Return (MAV-MSR) trajectories requires an accurate assessment of flight performance. Typically, these trajectories are developed by flight mechanics analysis to meet complex mission requirements and then flight performance assessed through Monte Carlo simulations. Consequently, it is crucial to develop an aerodynamic aerodatabase as an input model for flight mechanics analysis to provide static and dynamic force and moment coefficients under specific flight conditions. The force and moment coefficients in the MAV aerodatabase are determined using the FUN3D computational fluid dynamics solver. Firstly, an overview of the aerodatabase is presented to demonstrate its applicability to trajectory-defined simulations. This effort is followed by an initial attempt to quantify uncertainties in the force and moment coefficients necessary for updating the current aerodatabase. The uncertainty model identifies uncertainty adders and multipliers for coefficient-based forces and moments through a direct comparison between FUN3D and wind tunnel test data from NASA Marshall Space Center's 14x14 inch Trisonic Wind Tunnel. These uncertainties aim to encompass various changes in Mach number, angle of attack, and aerodynamic roll angle.

Uncertainty analysis↗

Uncertainty Modeling for Mars Ascent Vehicle’s Aerodynamic Database Development

The design of the Mars Ascent Vehicle - Mars Sample Return (MAV-MSR) trajectories requires an accurate assessment of flight performance. Typically, these trajectories are developed by flight mechanics analysis to meet complex mission requirements and then flight performance assessed through Monte Carlo simulations. Consequently, it is crucial to develop an aerodynamic aerodatabase as an input model for flight mechanics analysis to provide static and dynamic force and moment coefficients under specific flight conditions. The force and moment coefficients in the MAV aerodatabase are determined using the FUN3D computational fluid dynamics solver. Firstly, an overview of the aerodatabase is presented to demonstrate its applicability to trajectory-defined simulations. This effort is followed by an initial attempt to quantify uncertainties in the force and moment coefficients necessary for updating the current aerodatabase. The uncertainty model identifies uncertainty adders and multipliers for coefficient-based forces and moments through a direct comparison between FUN3D and wind tunnel test data from NASA Marshall Space Center's 14x14 inch Trisonic Wind Tunnel. These uncertainties aim to encompass various changes in Mach number, angle of attack, and aerodynamic roll angle.

Uncertainty analysis↗

Transition from Research to Operations: Assessing Value of Experimental Forecast Products within the NWSFO Environment

The NASA Short-term Prediction Research and Transition (SPoRT) Center seeks to accelerate the infusion of NASA Earth Science Enterprise (ESE) observations, data assimilation and modeling research into NWS forecast operations and decision-making. To meet long-term program expectations, it is not sufficient simply to give forecasters sophisticated workstations or new forecast products without fully assessing the ways in which they will be utilized. Close communication must be established between the research and operational communities so that developers have a complete understanding of user needs. In turn, forecasters must obtain a more comprehensive knowledge of the modeling and sensing tools available to them. A major goal of the SPoRT Program is to develop metrics and conduct assessment studies with NWS forecasters to evaluate the impacts and benefits of ESE experimental products on forecast skill. At a glance the task seems relatively straightforward. However, performing assessment of experimental products in an operational environment is demanding. Given the tremendous time constraints placed on NWS forecasters, it is imperative that forecaster input be obtained in a concise unobtrusive manor. Great care must also be taken to ensure that forecasters understand their participation will eventually benefit them and WFO operations in general. Two requirements of the assessment plan developed under the SPoRT activity are that it 1) Can be implemented within the WFO environment; and 2) Provide tangible results for BOTH the research and operational communities. Supplemental numerical quantitative precipitation forecasts (QPF) were chosen as the first experimental SPoRT product to be evaluated during a Pilot Assessment Program conducted 1 May 2003 within the Huntsville AL National Weather Service Forecast Office. Forecast time periods were broken up into six- hour bins ranging from zero to twenty-four hours. Data were made available for display in AWIPS on an operational basis so they could be efficiently incorporated into the forecast process. The methodology used to assess the value of experimental QPFs compared to available operational products is best described as a three-tier approach involving both forecasters and research scientists. Tier-one is a web-based survey completed by duty forecasters on the aviation and public desks. The survey compiles information on how the experimental product was used in the forecast decision making process. Up to 6 responses per twenty-four hours can be compiled during a precipitation event. Tier-two consists of an event post mortem and experimental product assessment performed daily by the NASA/NWS Liaison. Tier-three is a detailed breakdown/analysis of specific events targeted by either the NWS SO0 or SPoRT team members. The task is performed by both NWS and NASA research scientists and may be conducted once every couple of months. The findings from the Pilot Assessment Program will be reported at the meeting.

Lapenta, William M.↗

Advanced Turboprop Transport Aircraft Modeling for the Electrified Powertrain Flight Demonstration Project

The objective of this study is to establish models for state of the art, representative regional non-electrified turboprop configurations in the 19-50 passenger capability range and assess performance impacts from advanced aircraft technologies. Two of these models will serve as reference baseline configurations for comparison to electrified aircraft propulsion (EAP) demonstrator concepts for the Electrified Powertrain Flight Demonstration (EPFD) project. The other two non-electrified configurations will primarily assess the impacts of advanced technologies on fuel consumption and CO₂ emissions. This paper details an aircraft synthesis and performance analysis approach using the General Aviation Synthesis Program (GASP) which is used to establish baseline performance capabilities, calibrate airplane and engine models using published manufacturer data and conduct technology sensitivity studies. Advanced technologies are selected from the categories of propulsion, aerodynamics, and flight systems. Performance assessments use Monte Carlo method coupled with GASP simulations to obtain performance distributions of the expected fuel burn, propulsive, aerodynamic, and weight benefits on the representative turboprop configurations from the application of advanced technologies. The final paper will present the impact of the advanced technologies on fuel burn and CO₂ emissions.

aircraft performance↗

Proposed evaluation framework for assessing operator performance with multisensor displays

Despite aggressive work on the development of sensor fusion algorithms and techniques, no formal evaluation procedures have been proposed. Based on existing integration models in the literature, an evaluation framework is developed to assess an operator's ability to use multisensor, or sensor fusion, displays. The proposed evaluation framework for evaluating the operator's ability to use such systems is a normative approach: The operator's performance with the sensor fusion display can be compared to the models' predictions based on the operator's performance when viewing the original sensor displays prior to fusion. This allows for the determination as to when a sensor fusion system leads to: 1) poorer performance than one of the original sensor displays (clearly an undesirable system in which the fused sensor system causes some distortion or interference); 2) better performance than with either single sensor system alone, but at a sub-optimal (compared to the model predictions) level; 3) optimal performance (compared to model predictions); or, 4) super-optimal performance, which may occur if the operator were able to use some highly diagnostic 'emergent features' in the sensor fusion display, which were unavailable in the original sensor displays. An experiment demonstrating the usefulness of the proposed evaluation framework is discussed.

Foyle, David C.↗

Monitoring cognitive function and need with the automated neuropsychological assessment metrics in Decompression Sickness (DCS) research

Hypobaric decompression sickness (DCS) research presents the medical monitor with the difficult task of assessing the onset and progression of DCS largely on the basis of subjective symptoms. Even with the introduction of precordial Doppler ultrasound techniques for the detection of venous gas emboli (VGE), correct prediction of DCS can be made only about 65 percent of the time according to data from the Armstrong Laboratory's (AL's) hypobaric DCS database. An AL research protocol concerned with exercise and its effects on denitrogenation efficiency includes implementation of a performance assessment test battery to evaluate cognitive functioning during a 4-h simulated 30,000 ft (9144 m) exposure. Information gained from such a test battery may assist the medical monitor in identifying early signs of DCS and subtle neurologic dysfunction related to cases of asymptomatic, but advanced, DCS. This presentation concerns the selection and integration of a test battery and the timely graphic display of subject test results for the principal investigator and medical monitor. A subset of the Automated Neuropsychological Assessment Metrics (ANAM) developed through the Office of Military Performance Assessment Technology (OMPAT) was selected. The ANAM software provides a library of simple tests designed for precise measurement of processing efficiency in a variety of cognitive domains. For our application and time constraints, two tests requiring high levels of cognitive processing and memory were chosen along with one test requiring fine psychomotor performance. Accuracy, speed, and processing throughout variables as well as RMS error were collected. An automated mood survey provided 'state' information on six scales including anger, happiness, fear, depression, activity, and fatigue. An integrated and interactive LOTUS 1-2-3 macro was developed to import and display past and present task performance and mood-change information.

Nesthus, Thomas E.↗

Advanced Concept Studies for Supersonic Commercial Transports Entering Service in the 2018-2020 Period Phase 2

Lockheed Martin Aeronautics Company (LM), working in conjunction with General Electric Global Research (GE GR) and Stanford University, executed a 19 month program responsive to the NASA sponsored "N+2 Supersonic Validation: Advanced Concept Studies for Supersonic Commercial Transports Entering Service in the 2018-2020 Period" contract. The key technical objective of this effort was to validate integrated airframe and propulsion technologies and design methodologies necessary to realize a supersonic vehicle capable of meeting the N+2 environmental and performance goals. The N+2 program is aligned with NASA's Supersonic Project and is focused on providing system level solutions capable of overcoming the efficiency, environmental, and performance barriers to practical supersonic flight. The N+2 environmental and performance goals are outlined in the technical paper, AIAA-2014-2138 (Ref. 1) along with the validated N+2 Phase 2 results. Our Phase 2 efforts built upon our Phase 1 studies (Ref. 2) and successfully demonstrated the ability to design and test realistic configurations capable of shaped sonic booms over the width of the sonic boom carpet. Developing a shaped boom configuration capable of meeting the N+2 shaped boom targets is a key goal for the N+2 program. During the LM Phase 1 effort, LM successfully designed and tested a shaped boom trijet configuration (1021) capable of achieving 85 PLdB under track (forward and aft shock) and up to 28 deg off-track at Mach 1.6. In Phase 2 we developed a refined configuration (1044-2) that extended the under 85 PLdB sonic boom level over the entire carpet of 52 deg off-track at a cruise Mach number of 1.7. Further, the loudness level of the configuration throughout operational conditions calculates to an average of 79 PLdB. These calculations rely on propagation employing Burger's (sBOOM) rounding methodology, and there are indications that the configuration average loudness would actually be 75 PLdB. We also added significant fidelity to the design of the configuration in this phase by performing a low speed wind tunnel test at our LTWT facility in Palmdale, by more complete modelling of propulsion effects in our sonic boom analysis, and by refining our configuration packaging and performance assessments. Working with General Electric, LM performed an assessment of the impact of inlet and nozzle effects on the sonic boom signature of the LM N+2 configurations. Our results indicate that inlet/exhaust streamtube boundary conditions are adequate for conceptual design studies, but realistic propulsion modeling at similar stream-tube conditions does have a small but measurable impact on the sonic boom signature. Previous supersonic transport studies have identified aeroelastic effects as one of the major challenges associated with the long, slender vehicles particularly common with shaped boom aircraft (Ref. 3). Under the Phase 2 effort, we have developed a detailed structural analysis model to evaluate the impact of flexibility and structural considerations on the feasibility of future quiet supersonic transports. We looked in particular at dynamic structural modes and flutter as a failure that must be avoided. We found that for our N+2 design in particular, adequate flutter margin existed. Our flutter margin is large enough to cover uncertainties like large increases in engine weight and the margin is relatively easy to increase with additional stiffening mass. The lack of major aeroelastic problems probably derives somewhat from an early design bias. While shaped boom aircraft require long length, they are not required to be thin. We intentionally developed our structural depths to avoid major flexibility problems. So at the end of Phase 2, we have validated that aeroelastic problems are not necessarily endemic to shaped boom designs. Experimental validation of sonic boom design and analysis techniques was the primary objective of the N+2 Supersonic Validations contract; and in this Phase, LM participated in four high speed wind tunnel tests. The first so-called Parametric Test in the Ames 9x7 tunnel did an exhaustive look at variation effects of the parameters: humidity, total pressure, sample time, spatial averaging distance and number of measurement locations, and more. From the results we learned to obtain data faster and more accurately, and made test condition tolerances easy to meet (eliminating earlier 60 percent wasted time when condition tolerances could not be held). The next two tests used different tunnels. The Ames 11 ft tunnel was used to test lower Mach numbers of 1.2 and 1.4. There were several difficulties using this tunnel for the first time for sonic boom including having to shift the measurement Mach numbers to 1.15 and 1.3 to avoid flow problems. It is believed that the 11 ft could be used successfully to measure sonic boom but there are likely to be a number of test condition restrictions. The Glenn 8x6 ft tunnel was used next and the tunnel has a number of desirable features for sonic boom measurement. While the Ames 9x7 can only test Mach 1.55 to 2.55 and the 11 ft can only test Mach 1.3 and lower, the Glenn 8x6 can test continuously from Mach 0.3 to 2.0. Unfortunately test measurement accuracy was compromised by a reference pressure drift. Post-test analysis revealed that the drift occurred when Mach number drifted slightly. Test measurements indicated that if Mach number drift is eliminated, results from the 8x6 would be more accurate, especially at longer distances, than results from the 9x7. The fourth test in the 9x7, called LM4, used everything we learned to comprehensively and accurately measure our new 1044-02 configuration with a full-carpet shaped signature design. Productivity was 8 times greater than our Phase 1 LM3 test. Measurement accuracy and repeatability was excellent out to 42 in. However, measurements at greater distances require the rail in the aft position and become substantially less accurate. Further signature processing or measurement improvements are needed for beyond near-field signature validation.

Morgenstern, John↗

Plutonium Oxidation State Distribution under WIPP Relevant Conditions (Rev. 2)

The oxidation state of plutonium in the Waste Isolation Pilot Plant (WIPP) environment has been a topic of interest since the initial compliance certification application. Plutonium (Pu) was initially expected to be present primarily as Pu(IV), but since the presence of Pu(III) could not be ruled out, it was also included in performance assessment (PA) calculations. The redox of the other variant actinides, uranium (U) and neptunium (Np), are also coupled to the plutonium redox. This led to a position in performance assessment calculations that is commonly referred to as “50/50”. In which half of the PA realizations assume solubility is dominated by the low oxidation state [U(IV), Np(IV), Pu(III)] and the other half assume solubility is dominated by the higher oxidation state [U(VI), Np(V), Pu(IV)]. Recently, a joint group of WIPP project participants from Los Alamos National Laboratory (LANL), Sandia National Laboratories (SNL), and the Department of Energy’s Carlsbad Field Office (DOE-CBFO) agreed on a new path forward for the oxidation state model in PA which will decouple the redox active actinides and will instead consider their redox as a function of E h . This will take the current binary approach and turn it into a system with four possible redox states.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Loran-C performance assurance assessment program

The Federal Aviation Administration (FAA) has accepted the Loran-C navigation system as a supplemental navigation aid for enroute use. Extension of Loran-C utilization to instrument approaches requires establishment of a process by which the current level of performance of the system is always known by the pilot. This system 'integrity' translates into confidence that, if the system is made available to the pilot, the guidance will be correct. Early in the consideration of Loran-C for instrument approaches, the Loran-C Planning Work-Group (LPW) was formed with membership from the FAA, the US Coast Guard, various state governments, aviation users, equipment manufacturers and technical experts. The group was hosted and co-chaired by the National Association of State Aviation Officials (NASAO). This forum was ideal for identification of system integrity issues and for finding the correct process for their resolution. Additionally, the Wild Goose Association (WGA), which is the international Loran-C technical and user forum, regularly brings together members of the FAA, Coast Guard, and the scientific community. Papers and discussions from WGA meetings have been helpful. Given here is a collection of the issues in which Ohio University became involved. Issues definition and resolution are included along with the recommendations in those areas where resolution is not yet complete.

Lilley, Robert W.↗

Atmospheric Risk Assessment for the Mars Science Laboratory Entry, Descent, and Landing System

In 2012, the Mars Science Laboratory (MSL) mission will pioneer the next generation of robotic Entry, Descent, and Landing (EDL) systems, by delivering the largest and most capable rover to date to the surface of Mars. As with previous Mars landers, atmospheric conditions during entry, descent, and landing directly impact the performance of MSL's EDL system. While the vehicle's novel guided entry system allows it to "fly out" a range of atmospheric uncertainties, its trajectory through the atmosphere creates a variety of atmospheric sensitivities not present on previous Mars entry systems and landers. Given the mission's stringent landing capability requirements, understanding the atmosphere state and spacecraft sensitivities takes on heightened importance. MSL's guided entry trajectory differs significantly from recent Mars landers and includes events that generate different atmospheric sensitivities than past missions. The existence of these sensitivities and general advancement in the state of Mars atmospheric knowledge has led the MSL team to employ new atmosphere modeling techniques in addition to past practices. A joint EDL engineering and Mars atmosphere science and modeling team has been created to identify the key system sensitivities, gather available atmospheric data sets, develop relevant atmosphere models, and formulate methods to integrate atmosphere information into EDL performance assessments. The team consists of EDL engineers, project science staff, and Mars atmospheric scientists from a variety of institutions. This paper provides an overview of the system performance sensitivities that have driven the atmosphere modeling approach, discusses the atmosphere data sets and models employed by the team as a result of the identified sensitivities, and introduces the tools used to translate atmospheric knowledge into quantitative EDL performance assessments.

EDL↗

Assessing the performance of solar radiation management geoengineering simulations

Offsetting the global warming caused by anthropogenic increases in atmospheric greenhouse gases by deliberate injection of aerosols into the stratosphere is the most studied of solar radiation management geoengineering schemes. The long-term success or failure of such schemes in achieving their stated goals is assessed by comparing simulated geoengineered temperature, precipitation and tropical cyclones metrics to equivalent fields in the simulated targeted climate simulations. Results using available data sets from three single model stabilized climate target experiments and three multimodel climate change reduction experiments are presented and compared against a measure of internal variability. While all but one experimental scheme is successful in achieving their targeted global mean annual surface temperature, their success at regional scales varies significantly and is often larger than the internal variability metric used here.

climate model evaluation↗

Control system software, simulation, and robotic applications

All essential existing capabilities needed to create a man-machine interaction dynamics and performance (MMIDAP) capability are reviewed. The multibody system dynamics software program Order N DISCOS will be used for machine and musculo-skeletal dynamics modeling. The program JACK will be used for estimating and animating whole body human response to given loading situations and motion constraints. The basic elements of performance (BEP) task decomposition methodologies associated with the Human Performance Institute database will be used for performance assessment. Techniques for resolving the statically indeterminant muscular load sharing problem will be used for a detailed understanding of potential musculotendon or ligamentous fatigue, pain, discomfort, and trauma. The envisioned capacity is to be used for mechanical system design, human performance assessment, extrapolation of man/machine interaction test data, biomedical engineering, and soft prototyping within a concurrent engineering (CE) system.

Frisch, Harold P.↗

Assessing the Performance of Exchange‐Correlation Density Functionals in Describing the Iron‐Catalyzed Ammonia Synthesis System

Density functional theory (DFT) has been widely employed for elucidating mechanistic aspects of heterogeneous catalysis. However, the accuracy of DFT calculations relies heavily on selecting an exchange-correlation (XC) functional that correctly describes the electronic structure of materials involved in the reactions. This study assesses the accuracy of several XC density functionals for modeling the iron-catalyzed ammonia synthesis system. In the assessment of functional accuracy, experimental references are compared to DFT-calculated values for the formation energy of gas-phase ammonia and nitrogen, bulk Fe/Fe-nitride (γ′-Fe 4 N) lattice constants and cohesive/formation energies, and nitrogen and ammonia binding energies on Fe(100), Fe(111), Fe(110), and γ′-Fe 4 N(111). It is observed that the experimental value for each of these descriptors is accurately modeled by at least one functional. RPBE alone provides reliable estimates for both the lattice constant and cohesive energy of Fe and γ′-Fe 4 N. Temperature-programmed desorption experiments led to estimates for N and NH 3 adsorption across several Fe-based facets that are best captured by RPBE. These results highlight the importance of choosing an appropriate XC functional that accurately describes experimental systems and offer insights into effectively modeling the interactions between nitrogen and ammonia on Fe-based surfaces.

adsorption↗