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At least 1,657 records · Page 92

GCR Environmental Models I: Sensitivity Analysis for GCR Environments

Accurate galactic cosmic ray (GCR) models are required to assess crew exposure during long-duration missions to the Moon or Mars. Many of these models have been developed and compared to available measurements, with uncertainty estimates usually stated to be less than 15%. However, when the models are evaluated over a common epoch and propagated through to effective dose, relative differences exceeding 50% are observed. This indicates that the metrics used to communicate GCR model uncertainty can be better tied to exposure quantities of interest for shielding applications. This is the first of three papers focused on addressing this need. In this work, the focus is on quantifying the extent to which each GCR ion and energy group, prior to entering any shielding material or body tissue, contributes to effective dose behind shielding. Results can be used to more accurately calibrate model-free parameters and provide a mechanism for refocusing validation efforts on measurements taken over important energy regions. Results can also be used as references to guide future nuclear cross-section measurements and radiobiology experiments. It is found that GCR with Z>2 and boundary energies below 500 MeV/n induce less than 5% of the total effective dose behind shielding. This finding is important given that most of the GCR models are developed and validated against Advanced Composition Explorer/Cosmic Ray Isotope Spectrometer (ACE/CRIS) measurements taken below 500 MeV/n. It is therefore possible for two models to very accurately reproduce the ACE/CRIS data while inducing very different effective dose values behind shielding.

Slaba, Tony C.↗

Multilevel Monte Carlo Estimators For Derivative-Free Optimization Under Uncertainty

Optimization is a key tool for scientific and engineering applications; however, in the presence of models affected by uncertainty, the optimization formulation needs to be extended to consider statistics of the quantity of interest. Optimization under uncertainty (OUU) deals with this endeavor and requires uncertainty quantification analyses at several design locations; i.e., its overall computational cost is proportional to the cost of performing a forward uncertainty analysis at each design location. An OUU workflow has two main components: an inner loop strategy for the computation of statistics of the quantity of interest, and an outer loop optimization strategy tasked with finding the optimal design, given a merit function based on the inner loop statistics. Here, in this work, we propose to alleviate the cost of the inner loop uncertainty analysis by leveraging the so-called multilevel Monte Carlo (MLMC) method, which is able to allocate resources over multiple models with varying accuracy and cost. The resource allocation problem in MLMC is formulated by minimizing the computational cost given a target variance for the estimator. We consider MLMC estimators for statistics usually employed in OUU workflows and solve the corresponding allocation problem. For the outer loop, we consider a derivative-free optimization strategy implemented in the SNOWPAC library; our novel strategy is implemented and released in the Dakota software toolkit. We discuss several numerical test cases to showcase the features and performance of our approach with respect to its Monte Carlo single fidelity counterpart.

97 MATHEMATICS AND COMPUTING↗

Overview of Large-Scale Transport into the Arctic in the Chemistry Climate Model Initiative (CCMI) Simulations

The transport of trace gases and aerosols is a major uncertainty in the modeling of Arctic tropospheric composition. Here we compare the large-scale midlatitude-to-Arctic transport properties among different models participating in the Chemistry Climate Modeling Initiative (CCMI). Among simulations of the recent past (1980-2010) we show that there are substantial (~30-45%) differences in transport to the Arctic free troposphere, as diagnosed through use of idealized tracers emitted over the Northern Hemisphere (NH) midlatitude surface and subject to prescribed uniform loss. In addition, we show that the spread among tracers with predominantly land-based sources is correlated with the spread in the location of the Hadley Cell edge, while the spread in tracers with zonally uniform sources is also related to differences in (parameterized) convection over oceans. Interestingly, comparisons with simulations constrained with analysis fields reveal similar, if not larger, transport differences, compared to the free-running simulations, indicating that caution should be taken when interpreting simulations constrained with analyzed winds. Finally, among simulations of the 21st century we show that models project a consistent, albeit small (~5-10%), increase in transport from the NH midlatitude surface to the Arctic upper troposphere.

Large-Scale Transpor↗

Model Assisted Probability of Detection for NASA Space Missions

Model assisted probability of detection (MAPOD) uses data from simulations to improve a traditional probability of detection (POD) study. This could include extending the parameter space to reduce uncertainty or substituting experimental data with simulated data to reduce the time and cost of a POD study. In the past MAPOD was difficult due to limited computational resources, but recent innovations in simulation tools and high-performance computing have made this type of high-degree-of-freedom modeling possible, and complex structures have made it necessary. This presentation will summarize the work done by the computational nondestructive evaluation (CNDE) specialists within the Nondestructive Evaluation Sciences branch at NASA Langley Research Center (LaRC) to complete a MAPOD study for phased array ultrasound testing (PAUT) of a friction stir welding (FSW) method to be used on Space Launch System (SLS) structures. The three critical needs for a MAPOD study are a validated and verified model of the inspection technique for the structure being inspected, some experimental POD data, and an uncertainty model for both the model and the experimental data. PAUT was simulated using Extende CIVA’s UT module. The model was validated using laboratory inspection data from NASA Marshall Space Flight Center (MSFC) for a Hit/Miss POD for FSW in 2219-T87 aluminum panels representative of those used in the SLS. This model was then used to simulate flaw sizes that were originally omitted from the original POD study. The results of this new MAPOD study will be presented along with a discussion of the methods and processes used to analyze the original data, selected simulation parameters, and development of the uncertainty model used for the statistical analysis. The goal of this effort is not just to improve the POD study but to demonstrate the value of MAPOD and provide a roadmap for application of MAPOD on future projects.

Elizabeth Gregory↗

Model Assisted Probability of Detection for NASA Space Missions

Model assisted probability of detection (MAPOD) uses data from simulations to improve a traditional probability of detection (POD) study. This could include extending the parameter space to reduce uncertainty or substituting experimental data with simulated data to reduce the time and cost of a POD study. In the past MAPOD was difficult due to limited computational resources, but recent innovations in simulation tools and high-performance computing have made this type of high-degree-of-freedom modelling possible, and complex structures have made it necessary. This presentation will summarize the work done by the computational nondestructive evaluation (CNDE) group at NASA Langley Research Center (LaRC) to complete a MAPOD study for phased array ultrasound testing (PAUT) of a friction stir welding (FSW) method to be used on Space Launch System (SLS) structures. The three critical needs for a MAPOD study are a validated and verified model of the inspection technique for the structure being inspected, some experimental POD data, and an uncertainty model for both the model and the experimental data. PAUT was simulated using Extende CIVA’s UT module. The model was validated using laboratory inspection data from NASA Marshall Space Flight Center (MSFC) for a Hit/Miss POD for FSW in 2219-T87 aluminum panels representative of those used in the SLS. This model was then used to simulate flaw sizes that were originally omitted from the original POD study. The results of this new MAPOD study will be presented along with a discussion of the methods and processes used to analyze the original data, selected simulation parameters, and development of the uncertainty model used for the statistical analysis. The goal of this effort is not just to improve the POD study but to demonstrate the value of MAPOD and provide a roadmap for application of MAPOD on future projects.

Elizabeth Gregory↗

Prototype Biology-Based Radiation Risk Module Project

Biological effects of space radiation and risk mitigation are strategic knowledge gaps for the Evolvable Mars Campaign. The current epidemiology-based NASA Space Cancer Risk (NSCR) model contains large uncertainties (HAT #6.5a) due to lack of information on the radiobiology of galactic cosmic rays (GCR) and lack of human data. The use of experimental models that most accurately replicate the response of human tissues is critical for precision in risk projections. Our proposed study will compare DNA damage, histological, and cell kinetic parameters after irradiation in normal 2D human cells versus 3D tissue models, and it will use a multi-scale computational model (CHASTE) to investigate various biological processes that may contribute to carcinogenesis, including radiation-induced cellular signaling pathways. This cross-disciplinary work, with biological validation of an evolvable mathematical computational model, will help reduce uncertainties within NSCR and aid risk mitigation for radiation-induced carcinogenesis.

Terrier, Douglas↗

Teleconnections of the Quasi–Biennial Oscillation in a multi–model ensemble of QBO–resolving models

The quasi-biennial oscillation (QBO) dominates the interannual variability of the tropical stratosphere and influences other regions of the atmosphere. The high predictability of the QBO implies that its teleconnections could lead to in-creased skill of seasonal and decadal forecasts provided the relevant mechanisms are accurately represented in models. Here modelling and sampling uncertainties of QBO teleconnections are examined using a multi-model ensemble of QBO-resolving atmospheric general circulation models that have carried out a set of coordinated experiments as part of the Stratosphere-troposphere Processes And their Role in Climate (SPARC) QBO initiative (QBOi). During Northern Hemisphere winter the stratospheric polar vortex in most of these models strengthens when the QBO near 50 hPa is westerly and weakens when it is easterly, consistent with, but weaker than, the observed response. These weak responses are likely due to model errors, such as systematically weak QBO amplitudes near 50 hPa, affecting the teleconnection. The teleconnection to the North Atlantic Oscillation is less well captured overall, but of similar strength to the observed signal in the few models that do show it. Furthermore, the models do not show clear evidence of a QBO teleconnection to the Northern Hemisphere Pacific sector subtropical jet.

54 ENVIRONMENTAL SCIENCES↗

A data-driven multiscale model for reactive wetting simulations

Here, we describe a data-driven, multiscale technique to model reactive wetting of a silver–aluminum alloy on a Kovar™ (Fe-Ni-Co alloy) surface. We employ molecular dynamics simulations to elucidate the dependence of surface tension and wetting angle on the drop’s composition and temperature. A design of computational experiments is used to efficiently generate training data of surface tension and wetting angle from a limited number of molecular dynamics simulations. The simulation results are used to parameterize models of the material’s wetting properties and compute the uncertainty in the models due to limited data. The data-driven models are incorporated into an engineering-scale (continuum) model of a silver–aluminum sessile drop on a Kovar™ substrate. Model predictions of the wetting angle are compared with experiments of pure silver spreading on Kovar™ to quantify the model-form errors introduced by the limited training data versus the simplifications inherent in the molecular dynamics simulations. The paper presents innovations in the determination of “convergence” of noisy MD simulations before they are used to extract the wetting angle and surface tension, and the construction of their models which approximate physio-chemical processes that are left unresolved by the engineering-scale model. Together, these constitute a multiscale approach that integrates molecular-scale information into continuum scale models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Experimental validation of a high fidelity Monte Carlo neutron transport model of the MIT graphite exponential pile

High-fidelity modeling and simulation were performed for the MIT graphite exponential pile (MGEP) using Monte Carlo neutron transport codes OpenMC and MCNP, and the results were validated by experimental data. The MGEP is being used as the test bed for the design of an autonomous control system for the pile's neutron flux distribution. The main contribution of this work is to generate the training data sets of neutron flux distributions with different locations of control rods that perturb the neutron flux profiles. First, code -to-code cross verification between OpenMC and MCNP was performed to ensure consistency of the numerical modeling within statistical uncertainties. To validate the accuracy of this high-fidelity model, a series of neutron flux measurements were conducted using a Helium-3 (He-3) neutron detector on a mobile platform that is placed inside the pile. Second, the neutron flux profiles were measured in four vertical layers of interest, and compared to the corresponding simulation results. The comparison results shows that the root mean square error is less than 2.5% in the two upper layers, and less than 4.5% in all four measured layers. Here the results validated the accuracy of the modeling and simulation. Finally, the relative change of the neutron flux profiles from moving control rods was analyzed, which identified the layer that has the best sensitivity regarding the control rods movements. Thus, this work identified and provided training data sets of both simulated and experimental neutron flux profiles in the most sensitive layer, paving the path forward to the real-time experimental demonstration of the autonomous control system.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Surrogate models for linear response

Linear response theory is a well-established method in physics and chemistry for exploring excitations of many-body systems. In particular, the quasiparticle random-phase approximation (QRPA) provides a powerful microscopic framework by building excitations on top of the mean-field vacuum; however, its high computational cost limits model calibration and uncertainty quantification studies. Here, we present two complementary QRPA surrogate models and apply them to study response functions of finite nuclei. One is a reduced-order model that exploits the underlying QRPA structure, while the other utilizes the recently developed parametric matrix model algorithm to construct a map between the system’s Hamiltonian and observables. Our benchmark applications, the calculation of the electric dipole polarizability of 180 Yb and the 𝛽-decay half-life of 80 Ni, show that both emulators can achieve 0.1%–1% accuracy while offering a 6–7 orders of magnitude speedup compared to state-of-the-art QRPA solvers. These results demonstrate that the developed QRPA emulators are well positioned to enable Bayesian calibration and large-scale studies of computationally expensive physics models describing the properties of many-body systems.

Beta decay↗

Interpretable machine learning-guided design of Fe-based soft magnetic alloys

Here, we present a machine learning (ML) guided approach to predict saturation magnetization (𝑀 S ) and coercivity (𝐻 C ) in Fe-rich soft magnetic alloys, particularly Fe-Si-B systems. ML models trained on experimental data reveal that increasing Si and B content reduces 𝑀 S from 1.81 T (DFT ≈ 2.04 T) to ≈1.54 T (DFT ≈ 1.56T) in Fe-Si-B, which is attributed to decreased magnetic density and structural modifications. Experimental validation of ML predicted magnetic saturation on Fe-1Si-1B (2.09 T), Fe-5Si-5B (2.01 T), and Fe-10Si-10B (1.54 T) alloy compositions further supports our findings. These trends are consistent with density functional theory predictions, which link increased electronic disorder and band broadening to lower 𝑀 S values. Experimental validation on selected alloys confirms the predictive accuracy of the ML model, with good agreement across compositions. Beyond predictive accuracy, detailed uncertainty quantification and model interpretability including through feature importance and partial dependence analysis reveal that 𝑀 S is governed by a nonlinear interplay between Fe content and early transition metal ratios, while 𝐻 C is more sensitive to processing conditions such as ribbon thickness and thermal treatment windows. The ML framework was further applied to Fe-Si-B/Cr/Cu/Zr/Nb alloys in a pseudoquaternary compositional space, which shows comparable magnetic properties to NANOMET (Fe 84.8 ⁢Si 0.5 ⁢B 9.4 ⁢Cu 0.8⁢ P 3.5 ⁢C 1 ), FINEMET (Fe 73.5 ⁢Si 13.5 ⁢B 9 Cu 1 ⁢Nb 3 ), NANOPERM (Fe 88 ⁢Zr 7⁢ B 4 ⁢Cu 1 ), and HITPERM (Fe 44 ⁢Co 44 ⁢Zr 7⁢ B 4 ⁢Cu 1 . Our findings demonstrate the potential of the ML framework for accelerated search of high-performance soft magnetic materials.

density functional theory↗

Lagrangian simulations of spray interaction with a surface using a stochastic multi-regime impingement model

Modeling of spray impingement upon the piston or cylinder surface is important for hydrocarbon emission and soot predictions in high-fidelity simulation of internal combustion engines with direct injections. Due to the complexity of the physical process of spray impingement, current computational models heavily rely on the empirical studies which involve large uncertainties. A computational model is presented for spray impingement on solid walls in general computational fluid dynamics (CFD) simulations. The model adopts the Marmanis-Thoroddsen theory for determining the number of secondary droplets and a stochastic method for calculating the velocities of the secondary droplets. The numerical methods and parallel implementation of the impingement model are presented in detail. The model is implemented in Grit, which is a recently developed CPU/GPU performance-portable Lagrangian particle library, for accelerating spray simulations. The model and its implementation are tested for examples of spray impingements on flat and smooth surfaces with different impingement angles.

Ge, Wenjun↗

Risk Assessment of Bone Fracture During Space Exploration Missions to the Moon and Mars

The possibility of a traumatic bone fracture in space is a concern due to the observed decrease in astronaut bone mineral density (BMD) during spaceflight and because of the physical demands of the mission. The Bone Fracture Risk Module (BFxRM) was developed to quantify the probability of fracture at the femoral neck and lumbar spine during space exploration missions. The BFxRM is scenario-based, providing predictions for specific activities or events during a particular space mission. The key elements of the BFxRM are the mission parameters, the biomechanical loading models, the bone loss and fracture models and the incidence rate of the activity or event. Uncertainties in the model parameters arise due to variations within the population and unknowns associated with the effects of the space environment. Consequently, parameter distributions were used in Monte Carlo simulations to obtain an estimate of fracture probability under real mission scenarios. The model predicts an increase in the probability of fracture as the mission length increases and fracture is more likely in the higher gravitational field of Mars than on the moon. The resulting probability predictions and sensitivity analyses of the BFxRM can be used as an engineering tool for mission operation and resource planning in order to mitigate the risk of bone fracture in space.

Lewandowski, Beth E.↗

Risk Assessment of Bone Fracture During Space Exploration Missions to the Moon and Mars

The possibility of a traumatic bone fracture in space is a concern due to the observed decrease in astronaut bone mineral density (BMD) during spaceflight and because of the physical demands of the mission. The Bone Fracture Risk Module (BFxRM) was developed to quantify the probability of fracture at the femoral neck and lumbar spine during space exploration missions. The BFxRM is scenario-based, providing predictions for specific activities or events during a particular space mission. The key elements of the BFxRM are the mission parameters, the biomechanical loading models, the bone loss and fracture models and the incidence rate of the activity or event. Uncertainties in the model parameters arise due to variations within the population and unknowns associated with the effects of the space environment. Consequently, parameter distributions were used in Monte Carlo simulations to obtain an estimate of fracture probability under real mission scenarios. The model predicts an increase in the probability of fracture as the mission length increases and fracture is more likely in the higher gravitational field of Mars than on the moon. The resulting probability predictions and sensitivity analyses of the BFxRM can be used as an engineering tool for mission operation and resource planning in order to mitigate the risk of bone fracture in space.

Lewandowski, Beth E.↗

Additively Manufactured Wind Tunnel Balances for Propulsive Force Measurement

Propulsive forces and moments during powered descent are not understood well enough to design an entry, decent, and landing vehicle with high confidence using solely computational fluid dynamics modelling (CFD). Therefore, wind tunnel testing is required to quantify uncertainties in computational modeling and simulation. Wind tunnel balances are structural, high-precision, multi-axis force transducers that provide direct measurement of these aerodynamic forces and moments, however their complex designs make them costly and time consuming to produce and approaches used to manufacture them have not changed significantly since the 1960s. This work demonstrates that additive manufacturing (AM) can be used to manufacture wind tunnel balances with significantly reduced fabrication time and expense. Moreover, the design flexibility afforded by the additive manufacturing process has the potential to enable new capabilities with respect to measuring propulsion forces during entry, decent, and landing testing. Here we present two novel balance designs enabled by AM. One will provide direct measurement of aerodynamic interference forces and moments on powered descent models (retropropulsion forces) to support CFD validation and further development of Mars human landing vehicle concepts. The second design will be used to characterize a reaction control system during entry descent and landing testing over a wide Mach number range.

Wind tunnel balance↗

Additively Manufactured Balances for Propulsive Force Measurement

Propulsive forces and moments during powered descent are not understood well enough to design an entry, decent, and landing vehicle with high confidence using solely computational fluid dynamics modelling (CFD). Therefore, wind tunnel testing is required to quantify uncertainties in computational modeling and simulation. Wind tunnel balances are structural, high-precision, multi-axis force transducers that provide direct measurement of these aerodynamic forces and moments, however their complex designs make them costly and time consuming to produce and approaches used to manufacture them have not changed significantly since the 1960s. This work demonstrates that additive manufacturing (AM) can be used to manufacture wind tunnel balances with significantly reduced fabrication time and expense. Moreover, the design flexibility afforded by the additive manufacturing process has the potential to enable new capabilities with respect to measuring propulsion forces during entry, decent, and landing testing. Here we present two novel balance designs enabled by AM. One will provide direct measurement of aerodynamic interference forces and moments on powered descent models (retropropulsion forces) to support CFD validation and further development of Mars human landing vehicle concepts. The second design will be used to characterize a reaction control system during entry decent and landing testing over a wide Mach number range.

Wind tunnel balance↗

Adding GPU Support to the Markov Chain Monte Carlo Code Catmip

In geophysics, we are confronted with many under-determined inverse problems. For example, all of our observations of earthquakes are made at the Earth’s surface. So, when we try to infer how slip during an earthquake evolves in space and time, we find that there are many potential slip histories that are consistent with our limited observations and our understanding of earthquake physics. One way to approach these problems is with Bayesian analysis which allows us to infer the ensemble of all potential slip models that satisfy the observations and our prior knowledge of earthquake physics. In Bayesian analysis, our prior knowledge is known as the prior probability density function or prior PDF, the fit to the data is known as the data likelihood, and the target PDF that satisfies both the prior PDF and data likelihood is known as the posterior PDF. However, simulating the posterior PDF typically requires using Markov Chain Monte Carlo (MCMC) to draw tens of billions of random realizations of earthquake slip models, which may not be computationally feasible. To make this and similar geophysical inversions computationally tractable, we developed the Cascading Adaptive Transitional Metropolis In Parallel (CATMIP) algorithm. CATMIP is an efficient parallel Markov Chain Monte Carlo (MCMC) sampler that is used for model fitting and uncertainty quantification in geophysics. Example use cases are earthquake rupture modeling, determining mineral composition on Mars, reconstructing the history of ocean salinity, and historical earthquake relocation. CATMIP employs many parallel instances of the Metropolis algorithm for sampling in a transitioning framework. Transitioning is a process in which a set of random samples at equilibrium with a known probability density function (PDF) are used as seeds for the Markov chains to sample successive target PDFs that incrementally move the distribution from the starting seeds to the final desired PDF that describes the relative plausibility of potential values for the model parameters. The algorithm is implemented as a Master-Worker model employing MPI for communication. The worker processes are loosely coupled with global parameters periodically optimized by the master process. This provides a very high amount of parallelism with little communication between updates. During the presentation we will discuss the history of the algorithm and elaborate the earthquake rupture modeling use case for the CATMIP package. Our first step toward GPU optimization was to optimize the code for the CPU. CPU profiling revealed that most of the compute time is spent in calls to level 2 BLAS routines and calls to GSL random number generators. We revised the algorithm to employ level 3 BLAS routines instead. In our presentation we will describe how this was accomplished. Adding GPU support to CATMIP consisted mostly of replacing the calls to GSL with calls to GPU vendor-provided library routines. A small number of loops were directly implemented in CUDA. In the presentation will provide implementation details. Finally, we will discuss methods for profiling and opportunities for further optimizing GPU execution. By creating a code with the flexibility to run on either a CPU or GPU architecture, CATMIP can be used on systems ranging from large CPU-based HPC environments to single servers with GPU acceleration and everything in between.

HECC↗

Deciphering the Spectra of Flowers to Map Landscape-scale Blooming Dynamics

Like leaves, floral coloration is driven by inherent optical properties, which are determined by pigments, scattering structure, and thickness. However, establishing the relative contribution of these factors to canopy spectral signals is usually limited to in-situ observations. Modeling flowering dynamics (e.g., blooming duration, spatial distribution) at the landscape scale may reveal insights into ecological processes and phenological adaptations to environmental changes. Multitemporal visible to shortwave infrared (VSWIR) imaging spectroscopy observations are especially suited for such efforts. Reflectance in this spectral range is sensitive to major flower pigments, flowering phenology traces, and biophysical differences between flowers and other plant parts. We explored how flowers contribute to spectral signals using a time series of imagery from the Airborne Visible InfraRed Imaging Spectrometer - Next Generation (AVIRIS-NG) collected as part of the SBG High-Frequency Time Series (SHIFT) campaign as a case study. Airborne data were collected weekly during the spring of 2022 across two natural reserves in California. Field spectra were gathered from blooming plots at leaf, flower, and canopy levels at two time points during the campaign. The processed data was used to investigate flowering species' spectro-temporal variation and spatial distribution using Spectral Mixture Residual, Gaussian clustering techniques, and a proposed narrow-band flowering index. Linear spectral unmixing allowed the computation of the weighted contribution of four major high-variance endmembers (leaves, flowers, soil, dark) and low-variance residual signal that comprises subtle spectral features used to track biophysical processes. The reflectance residual was projected on a low principal component basis to characterize flowering clusters' variation and spatial distribution based on the Gaussian mixture model, providing an uncertainty metric to assess the results. Mapping flowering events from modeling spectro-temporal dynamics throughout the season, from pre-blooming to post-flowering stages, allowed us to identify gradient variations in spectral features within the VSWIR spectral range linked to flowering pigments. Time series of the Mixture Residual Blooming Index and the Red-Edge Normalized Difference Vegetation Index revealed specific flowering and greenness phenophases across the two main species (Coreopsis gigantea, Artemisia californica) in the flowering areas. Overall, our approach opens opportunities for future satellite monitoring of floral cycles at broader scales.

Yoseline Angel↗