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NASA NTRSDate not supplied

Utilizing Gaps and Key Performance Parameters to Inform NASA Environmental Control and Life Support and Human Health and Performance Capability Technology Decisions

Human spaceflight is a complex endeavor requiring multiple capabilities for transportation, crew health, scientific goals, and safe return to Earth. The difference between spaceflight proven capabilities and those needed for future exploration architectures is defined as a capability gap. Capability gaps are not technology specific. Each capability gap is approachable with a wide array of technologies that have unique benefits and challenges. Determining what a capability’s relevant and distinguishing key performance parameters (KPPs) are for a mission is critical. Mass, power, and volume are always constrained and important, but defining these in a way normalized by performance is challenging. Additionally, KPP definition for reliability, dormancy, and integration needs are very important and still evolving. This paper provides the approach of the Environmental Control and Life Support – Crew Health and Performance (ECLSS-CHP) System Capability Leadership Team (SCLT) has used to define gaps and KPPs in support of the NASA’s Capabilities Integration Team data call objectives. The nine ECLSS-CHP capability areas are decomposed to capabilities with ~76 gaps and supported with KPPs. Rather than defining very detailed gaps, ECLSS-CHP defines high-level gaps to be technology agnostic. Within a gap, detailed KPPs are defined to both compare technologies and measure progress within a technology over time. Ideally, KPPs are clearly defined, widely communicated both internally and externally, and provide a common nomenclature to describe the state of the art and the degree of improvement required for exploration missions. KPPs help define when the gap is closed, and the core mission objectives can be accomplished. Further technology improvements to enhance the capability, as measured by improved KPPs, must then be weighed against investments in open capability gaps that prevent NASA from achieving its exploration missions. It is uncommon that a technology maturation to improve all the relevant KPPs simultaneously but using KPPs is a critical technology investment decision making component. In addition to traditional technology selections, KPPs are informing how investments in ground testing prior to and in parallel with ISS technology demonstrations are required to improve reliability KPPs. The collection of all major technology activities within a capability area are captured on technology roadmaps to communicate how diverse program activities are coordinated to close gaps and infuse into exploration mission needs. A selection of ECLSS-CHP gaps and KPPs and their formulation, current state, and how they inform capability roadmap planning are discussed.

Life Support↗

NASA NTRS1975

Data correlation and analysis of arc tunnel and wind tunnel tests of RSI joints and gaps, phase 2. Volume 1: Technical report

Heat transfer data measured in gaps representative of those being employed for joints in the space shuttle reusable surface insulation (RSI) thermal protection systems (TPS) were assimilated, analyzed, and correlated. Several types of gap were investigated with emphasis on simple butt joints. Gap widths ranged from 0.0 to 0.76 cm and depths ranged from 1 to 6 cm. Laminar, transitional, and turbulent boundary layer flows over the gap opening were investigated. The angle between gap axis and external flow was varied between 0 and pi/2 radians. The contoured cross section gap performed significantly better than all other wide gaps and slightly better than all other narrow gap geometries. Three dimensional heating variations were observed within gaps in the absence of external flow pressure gradients. Interactions between heating within gaps and heating of adjacent top tile surfaces were observed. Gaps aligned with the flow were observed to promote boundary layer transition. Heat transfer correlation equations were obtained for many of the tests. The TPS thickness requirements with and without gaps were computed for a current shuttle entry trajectory. Experimental data employed in the study are summarized. A description of each test facility, run schedule and test conditions, model descriptive information, and heat flux data are included.

Cristensen, H. E.↗

DOE OSTI2025

Gas-Gap Calorimeter Sizing and Rating Tools for Heat Pipe Experimentation

Effective gas-gap calorimeter sizing and rating tools are required to design calorimeters that enable well-defined operating conditions, high cooling powers, and accurate calorimetry. The present report describes two tools utilizing Microsoft Excel and MathWorks MATLAB that enable the sizing and rating of gas-gap calorimeters with a He-Ar binary gas mixture in the gap. The Excel tools are two easy-to-use spreadsheets for calculating heat pipe operating temperature or He-Ar mole fractions given the required inputs. The MATLAB tool includes similar models with more robust solution algorithms along with sub-options for full-vacuum, static gas-gap, and forced circulation in the gas-gap. The accuracy of the developed tools were demonstrated by comparing with existing work in literature. The MATLAB tool was used for a parametric study to determine the gas-gap thickness, coolant gap thickness, coolant flow rate, and coolant inlet temperatures for the testing of a 3/4 in outer diameter heat pipe up to powers of 10 kW and temperatures of 1,000°C. The effects of heat pipe and calorimeter inner shell surface emissivities were investigated, considering the inability to control or accurately measure surface emissivities in most applications. It was found that controlling the He-Ar mole fractions provides a wide operating range for gas-gap thicknesses around ~ 0.042--0.090 in (~ 1.07--2.29 mm) for a surface emissivity range of 0.4--0.8, since conduction heat transfer is a significant fraction of the heat transfer across the gas-gap. In addition, it was found that turbulent flow in the coolant gap is needed at high input powers to prevent shell temperatures from approaching the boiling temperature of the water coolant. The parametric study resulted in choosing stainless steel tubes with an outer diameter and thickness of 1 x 0.065 in as the inner shell, and a 1-1/2 x 0.156 in as the outer shell of the calorimeter. Overall, this report presents the necessary information for the sizing and rating of gas-gap calorimeters with He-Ar mixtures for the testing of high-temperature heat pipes (~ 500--1,000°C).

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Cosmic Reionization on Computers: Physical Origin of Long Dark Gaps in Quasar Absorption Spectra

I explore the properties of “dark gaps” - regions in quasar absorption spectra without significant transmission - with several simulations from the Cosmic Reionization On Computers (CROC) project. The CROC simulations in the largest available boxes (120 cMpc) come close to matching both the distribution of mean opacities and the frequency of dark gaps, but alas not in the same model: the run that matches the mean opacities fails to contain enough dark gaps and vice versa. Nevertheless, the run that matches the dark gap distributions serves as a counterexample to claims in the literature that the dark gap statistics requires a late end to reionization - in that run reionization ends at z = 6.7 (likely too early). While multiple factors contribute to the frequency of large dark gaps in the simulations, the primary factor that controls the overall shape of the dark gap distribution is the ionization level in voids—the lowest-density regions produce the highest transmission spikes that terminate long gaps. As the result, the dark gap distribution correlates strongly with the fraction of the spectrum above the gap detection threshold and the observed distribution is matched by the simulation in which this fraction is 2%. Hence, the gap distribution by itself does not constrain the timing of reionization, although it may do so in combination with the distribution of mean opacities.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2021

Gaps List KSC Space Crop Production Project Scientist: Interview Evaluation

The Space Crop Production (SCP) at the NASA Kennedy Space Center (KSC) is aimed at achieving nutrient supplementation and moving towards caloric independence from Earth by growing crops for astronauts. However, growing crops outside of Earth’s orbit creates many new challenges. The KCS SCP Project Scientists have developed a method of organizing these challenges, called the Gaps List. This Gaps List is a dynamic, taxonomically arranged list of missing knowledge and technologies needed to reach production goals. The purpose of this evaluation was to assess the effectiveness and current research coverage of the Gaps List by using it to document the KSC SCP Program research. In evaluating the research, it was determined that several needs within the SCP Program that are not being met, and many deficiencies within the Gaps List were encountered. Gaps involving hardware were largely unrecognized by the KSC researchers and the funding sources that would typically support them. The KSC SCP Project will require more engineering and physical sciences support to close those gaps. The Gaps List was found to be out of date and in need of rearrangement. A recommendation from this review was that the Gaps List be reassessed at regular intervals to ensure all gaps and relevant research topics are included. In order to better understand the gaps within the list, any assessment needs to include a measure of priority, dependency and breadth. These measures may be included within or along side the current taxonomical arrangement of the Gaps List.

Space Crop Production↗

NASA NTRS2021

Gaps List KSC Space Crop Production Project Scientist: Interview Evaluation

The Space Crop Production (SCP) Program at the NASA Kennedy Space Center (KSC) is aimed at achieving nutrient supplementation and moving towards caloric independence from Earth by growing crops for astronauts. However, growing crops outside of Earth’s orbit creates many new challenges. The KCS SCP Project Scientists have developed a method of organizing these challenges, called the Gaps List. This Gaps List is a dynamic, taxonomically arranged list of missing knowledge and technologies needed to reach production goals. The purpose of this evaluation was to assess the effectiveness and current research coverage of the Gaps List by using it to document KSC SCP Program research. It was determined that there are several needs within the SCP Program that are not being met, as well as, many deficiencies within the Gaps List. Gaps involving hardware were largely unrecognized by both the KSC researchers and the funding sources that would typically support them. The KSC SCP Project will require more engineering and physical sciences support to fill those gaps. The Gaps List was found to be out of date and in need of rearrangement. A recommendation from this review was that the Gaps List be reassessed at regular intervals to ensure all gaps, and relevant research topics are included. To better understand the gaps within the list, any assessment needs to include a measure of priority, dependency, and breadth. These measures may be included within or alongside the current taxonomical arrangement of the Gaps List.

Chloe Sophia Alexander↗

NASA NTRSDate not supplied

Gaps List KSC Space Crop Production Project Scientist: Interview Evaluation

Chloe S. Alexander↗

NASA NTRS2023

Identifying and Closing Medical Capability Gaps for Human Spaceflight Missions Beyond Low Earth Orbit

BACKGROUND: Features of human space missions beyond low Earth orbit such as increasing distance from Earth, lack of real-time communication, and limited or no evacuation or resupply capability are expected to drive an increase in medical risk and require crews to operate in an increasingly autonomous fashion. A diverse set of stakeholders at NASA are seeking to fund the development of concepts of operations, medical requirements, and medical capabilities for such missions. However, a systematic approach to identification of current medical capability gaps and a strategic framework to gap closure is needed. OVERVIEW: The Exploration Medical Integrated Product Team (XMIPT) has developed a list of nine high-level medical capability gaps and associated activities required for gap closure. The list was derived based on inputs from subject matter experts at NASA including flight surgeons, other clinical providers, as well as operational and research communities regarding medical capabilities required to support human missions to the Moon and the Mars surface. Responses were reviewed and distilled to identify common themes across capabilities. To ensure alignment with established human system risks, the gap list was further refined based on inputs from NASA’s Human System Risk Board. Relevant medical gap closure activities outside of those funded by the XMIPT were identified through solicitation of inputs from Elements of NASA’s Human Research Program (particularly Exploration Medical Capability), the broader medical operations community, and other stakeholders. This medical capability gap list is reviewed and updated regularly as new information becomes available or new stakeholders are identified. DISCUSSION: The medical capability gap list has matured to include a large group of NASA stakeholders and development activities. This has enabled articulation of priorities to funding entities and programmatic stakeholders, while serving as an accessible resource summarizing gap closure activities, relevant programmatic infusion points, and opportunities for collaboration between stakeholders. This presentation will provide an overview of the nine NASA medical capability gaps and their associated gap closure activities.

Moriah Thompson↗

DOE OSTI2021

Challenges of relaxed n -type GaP on Si and strategies to enable low threading dislocation density

We directly show that doping type strongly affects the threading dislocation density (TDD) of relaxed GaP on Si, with n-type GaP having a TDD of ~3.1 × 10 7 cm -2 , nearly 30× higher than both p-type and unintentionally doped GaP at ~1.1 × 10 6 cm -2 . Such a high TDD is undesirable since n-GaP on Si serves as the starting point for the growth of epitaxial III-V/Si multi-junction solar cells. After highlighting additional challenges for highly n-doped GaP on Si including increased surface roughness, anisotropic strain relaxation, and inhomogeneous TDD distributions from blocking of the dislocation glide, we go on to show that the TDD of n-GaP on Si rises by 10× as the doping concentration increases from ~5 × 10 16 to ~2 × 10 18 cm -3 . Next, we investigate the effects of additional dopant choices on the TDD, determining that electronic effects dominate over solute effects on the dislocation velocity at these concentrations. Finally, we demonstrate the respective roles of compressively strained superlattices, low-temperature initiation, and lowered n-type doping concentration on reducing the TDD for n-GaP on Si. By combining all three, we attain relaxed n-GaP on Si with a TDD of 1.54(±0.20) × 10 6 cm -2 , approaching parity with p-GaP on Si. Such high-quality n-GaP on Si will play an important role in boosting the efficiency of epitaxial III-V/Si multi-junction solar cells.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Analysis of Gaps in Techno-Economic Analysis to Advance Heliostat Technologies for Concentrating Solar-Thermal Power

The Heliostat Consortium (HelioCon) was launched in 2021 to advance heliostat technology. One of its first efforts was to do a detailed analysis of gaps in technology and capabilities in the heliostat industry and complete a roadmap study describing high-priority gaps. HelioCon gathered gaps through a series of outreach activities with representatives and experts from industries and research institutes. Here, this paper discusses the gap analysis for the techno-economic analysis (TEA) topic. One of the main objectives of the TEA topic is to relate the cost and performance of heliostats and heliostat components to the overall system performance. In this study, we limit the scope of this topic to the heliostat field, tower, and receiver and do not consider downstream applications or uses of thermal energy. We conducted a thorough review of existing models and compiled a list of the state of the art in open-source tools currently available to researchers. We collected an initial list of gaps for the TEA of heliostats from industry developers and experts. Each gap is briefly described, and the heliostat development cycle stages that the gap impacts are indicated. We ranked the initial list of TEA gaps into tiers depending on their potential impact. For TEA, most of the gaps identified are related to developing models or data. Strictly speaking, none of these gaps are essential for heliostat development, but all would aid in the heliostat development process.

14 SOLAR ENERGY↗

DOE OSTI2022

Probability of Forming Gaps in the GD-1 Stream by Close Encounters of Globular Clusters

One of the most intriguing properties of the GD-1 stellar stream is the existence of three gaps. If these gaps were formed by close encounters with dark matter subhalos, the GD-1 stream opens an exciting window through which we can see the size, mass, and velocity distributions of the dark matter subhalos in the Milky Way. However, in order to use the GD-1 stream as a probe of the dark matter substructure, we need to disprove that these gaps are not due to the perturbations from baryonic components of the Milky Way. Here we ran a large number of test-particle simulations to investigate the probability that each of the known globular clusters (GCs) can form a GD-1-like gap, by using the kinematical data of the GD-1 stream and GCs from Gaia early data release 3 and by fully taking the observational uncertainty into account. We found that the probability that all of the three gaps were formed by GCs is as low as 1.7 × 10 -5 , and the expected number of gaps formed by GCs is only 0.057 in our fiducial model. Our result highly disfavors a scenario in which GCs form the gaps. Given that other baryonic perturbers (e.g., giant molecular clouds) are even less likely to form a gap in the retrograde-moving GD-1 stream, we conclude that at least one of the gaps in the GD-1 stream was formed by dark matter subhalos if the gaps were formed by flyby perturbations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Technical note: Uncertainties in eddy covariance CO 2 fluxes in a semiarid sagebrush ecosystem caused by gap-filling approaches

Abstract. Gap-filling eddy covariance CO2 fluxes is challenging at dryland sites due to small CO2 fluxes. Here, four machine learning (ML) algorithms including artificial neural network (ANN), k-nearest neighbors (KNNs), random forest (RF), and support vector machine (SVM) are employed and evaluated for gap-filling CO2 fluxes over a semiarid sagebrush ecosystem with different lengths of artificial gaps. The ANN and RF algorithms outperform the KNN and SVM in filling gaps ranging from hours to days, with the RF being more time efficient than the ANN. Performances of the ANN and RF are largely degraded for extremely long gaps of 2 months. In addition, our results suggest that there is no need to fill the daytime and nighttime net ecosystem exchange (NEE) gaps separately when using the ANN and RF. With the ANN and RF, the gap-filling-induced uncertainties in the annual NEE at this site are estimated to be within 16 g C m−2, whereas the uncertainties by the KNN and SVM can be as large as 27 g C m−2. To better fill extremely long gaps of a few months, we test a two-layer gap-filling framework based on the RF. With this framework, the model performance is improved significantly, especially for the nighttime data. Therefore, this approach provides an alternative in filling extremely long gaps to characterize annual carbon budgets and interannual variability in dryland ecosystems.

Yao, Jingyu↗

NASA NTRS2009

Developing a Gap Taxonomy to Address Crew Health Risks in NASA's Human Research Program

The mission of NASA's Human Research Program (HRP) is to understand and reduce the risk to crew health and performance in exploration missions. The HRP addresses 27 specific risks by identifying and then filling gaps in understanding the risks and in the ability to disposition the risks. The primary bases for identifying gaps have been past experience and requirements definition. This approach has been very effective in identifying some important, relevant gaps, but may be inadequate for identifying gaps outside the past experience base. We are exploring the use of a gap taxonomy as a comprehensive, underlying conceptual framework that allows a more systematic identification of gaps. The taxonomy is based on these stages in medical care: prediction, prevention, detection/diagnosis, treatment, monitoring, rehabilitation, and lifetime surveillance. This gap taxonomy approach identifies new gaps in HRP health risks. Many of the new gaps suggest risk reduction approaches that are more cost effective than present approaches. A major benefit of the gap taxonomy approach is to identify new, economical approaches that reduce the likelihood and/or consequence of a risk.

Kundrot, Craig E.↗

NASA NTRS2012

Constraining Gamma-Ray Pulsar Gap Models with a Simulated Pulsar Population

With the large sample of young gamma-ray pulsars discovered by the Fermi Large Area Telescope (LAT), population synthesis has become a powerful tool for comparing their collective properties with model predictions. We synthesised a pulsar population based on a radio emission model and four gamma-ray gap models (Polar Cap, Slot Gap, Outer Gap, and One Pole Caustic). Applying gamma-ray and radio visibility criteria, we normalise the simulation to the number of detected radio pulsars by a select group of ten radio surveys. The luminosity and the wide beams from the outer gaps can easily account for the number of Fermi detections in 2 years of observations. The wide slot-gap beam requires an increase by a factor of 10 of the predicted luminosity to produce a reasonable number of gamma-ray pulsars. Such large increases in the luminosity may be accommodated by implementing offset polar caps. The narrow polar-cap beams contribute at most only a handful of LAT pulsars. Using standard distributions in birth location and pulsar spin-down power (E), we skew the initial magnetic field and period distributions in a an attempt to account for the high E Fermi pulsars. While we compromise the agreement between simulated and detected distributions of radio pulsars, the simulations fail to reproduce the LAT findings: all models under-predict the number of LAT pulsars with high E , and they cannot explain the high probability of detecting both the radio and gamma-ray beams at high E. The beaming factor remains close to 1.0 over 4 decades in E evolution for the slot gap whereas it significantly decreases with increasing age for the outer gaps. The evolution of the enhanced slot-gap luminosity with E is compatible with the large dispersion of gamma-ray luminosity seen in the LAT data. The stronger evolution predicted for the outer gap, which is linked to the polar cap heating by the return current, is apparently not supported by the LAT data. The LAT sample of gamma-ray pulsars therefore provides a fresh perspective on the early evolution of the luminosity and beam width of the gamma-ray emission from young pulsars, calling for thin and more luminous gaps.

Pierbattista, Marco↗

NASA NTRSDate not supplied

Effects of Porous Gap Fillers on 30P30N Leading-Edge SlatNoise. Part I: Surface Pressure and Acoustics

The leading edge slat of a high-lift system is one of the main contributors to airframe noise during approach. In a previous experimental study, we assessed the performance of an impermeable slat gap filler as a passive flow control device to reduce the slat noise associated with a two-dimensional, three-element high-lift airfoil. The present paper, the first of two parts,represents a follow-on investigation to assess the relative efficacy of permeable gap fillers thatallow successively higher amounts of flow to pass through the gap. To evaluate the influence of this passive flow control device on the acoustics generated by the unsteady flow near the slat, experiments are conducted in an anechoic wind tunnel by mounting a gap filler to the slat element of the two-dimensional 30P30N high-lift configuration. Measurements are performed at a single geometric angle of attack (𝛼𝑘=8◦) and three different flow speeds that correspond to Reynolds numbers of𝑅𝑒𝑐=1.2𝑒6,1.5𝑒6, and1.71𝑒6, respectively. Steady surface pressure measurements are used to gauge the influence of the permeable gap filler treatments on the overall lift. The effect of each treatment on the radiated noise is analyzed via acoustic array measurements, followed by delay-and-sum beamforming to locate the slat noise sources and to provide the integrated acoustic spectra. The porous gap fillers are found to eliminate the narrowband peaks in the acoustic spectra and, also, to yield a 10 dB reduction in the broadband noise in comparison with the baseline case with no gap filler. The porous gap filler with thelowest permeability acts similar to the impermeable gap filler examined previously. However, the aerodynamics and noise reduction both degrade with increasing permeability. An accompanying abstract describes the particle image velocimetry measurements of the flowfield within the slat cove and on either side of the permeable gap f

slat noise↗

NASA NTRSDate not supplied

Effects of Porous Gap Fillers on Leading-Edge Slat Noise of 30P30N. Part II: PIV Measurements

The leading edge slat of a high-lift system is one of the main contributors to the airframe noise during approach conditions. This paper, the second of two parts, continues our previous studies on the slat gap filler as a passive noise control device on the two-dimensional, 30P30N multielement airfoil. Whereas the earlier study was focused on the effects of an impermeable gap filler that completely blocks the flow through the gap, this follow-on assessment is devoted to permeable slat gap fillers that allow limited amounts of flow to pass through the gap. Part I of this two-part abstract described the aerodynamic and acoustic effects of the permeable gap fillers, as inferred from both the measurements of static and unsteady surface pressures and the microphone array data for the radiated noise. To understand the physical mechanism responsible for the noise reduction documented in Part I, as well as for the accompanying aerodynamic penalty due to the porous gap fillers, Particle Image Velocimetry (PIV) is used in this paper to measure the flow details in the slat-cove region of the 30P30N model. A single angle of attack (𝛼 = 5.5◦) and a chord based Reynolds number of 1.71𝑒6 are selected as the test conditions. The PIV results show that the slat flow features are significantly altered with the presence of the porous gap filler, resulting in a more stable slat-cove shear layer and, thus, reduced velocity fluctuations with a successive decrease in the permeability. The porous gap filler with the lowest permeability acts similar to the solid gap filler. However, flow separation is observed on the upper side of the porous interface, which leads to an aerodynamic performance penalty via a reduction in lift on the main wing.

slat noise↗

DOE OSTI2021

Sustained Oxygen Spectral Gaps and Their Dynamic Evolution in the Inner Magnetosphere

Van Allen Probes observations of ion spectra often show a sustained gap within a very narrow energy range throughout the full orbit. To understand their formation mechanism, we statistically investigate the characteristics of the narrow gaps for oxygen ions and find that they are most frequently observed near the noon sector with a peak occurrence rate of over 30%. The magnetic moment (μ) of the oxygen ions in the gap shows a strong dependence on magnetic local time (MLT), with higher and lower μ values in the morning and afternoon sectors, respectively. Moreover, we find through superposed epoch analysis that the gap formation also depends on geomagnetic conditions. Those gaps formed at lower magnetic moments (μ < 3,000 keV/G) are associated with stable convection electric fields, which enable magnetospheric ions to follow a steady drift pattern that facilitates the gap formation by corotational drift resonance. On the other hand, gaps with higher μ values are statistically preceded by a gradual increase of geomagnetic activity. Here, we suggest that ions within the gap were originally located inside the Alfven layer following closed drift paths, before they were transitioned into open drift paths as the convection electric field was enhanced. The sunward drift of these ions, with very low fluxes, forms a drainage void in the dayside magnetosphere manifested as the sustained gap in the oxygen spectrum. This scenario is supported by particle-tracing simulations, which reproduce most of the observed characteristics and therefore provide new insights into inner magnetospheric dynamics.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Right band gaps for the right reason at low computational cost with a meta-GGA

In density functional theory, traditional explicit density functionals such as the local density approximation and generalized gradient approximations cannot accurately predict the band gap of solids for a fundamental reason: They lack the exchange-correlation derivative discontinuity. By comparing Kohn-Sham and generalized Kohn-Sham calculations, we here show that the nonempirical meta-generalized-gradient-approximation (meta-GGA) TASK from Aschebrock and Kümmel [Phys. Rev. Res. 1, 033082 (2019)] predicts the right gaps for the right reason, i.e., as a combination of a proper Kohn-Sham gap and a substantial derivative discontinuity contribution. For many materials from small-gap semiconductors to large-gap insulators, the proper band gap is thus obtained. Here we further study a group of metal-halide perovskites for which the band gap is notoriously hard to predict. For these materials, TASK yields band gaps very similar to the nonlocal screened hybrid Heyd-Scuseria-Ernzerhof functional, yet at a fraction of the hybrid functional’s computational cost. We discuss the influence of correlation functionals, and open questions in the comparison of calculated band gaps with experimental ones.

36 MATERIALS SCIENCE↗