Search NASA⌕ Search

SEARCH · Search NASA

Results for “linear model”

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

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

At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Proliferated Resilient Economical Half-Meter Aperture Space Telescopes (PREEMPT)

The PREEMPT LDRD was motivated by a major national need for better space-based imaging systems that are both high performing and affordable for the US Government. Current optical payloads for intelligence, surveillance and reconnaissance (ISR) and space domain awareness (SDA) missions can cost hundreds of millions of dollars and take years to develop, which makes it difficult to build the large constellations required for persistent, world-wide coverage. To address this, the team aimed to advance a different kind of large-aperture (>25 cm) telescope, called a monolithic telescope, in which key optical surfaces are built into a single piece of fused silica. This design greatly reduces payload and spacecraft complexity, the need for precision focus actuators, improves mechanical and thermal robustness, and lowers cost when compared with traditional Cassegrain telescopes that rely on many precisely aligned components. The project focused on five primary thrusts. The first thrust was to advance the concept of a V10, 25 cm, monolithic telescope forward from optical design to flight-ready stage. This was accomplished in partnership with Optimax, who delivered the first test unit in the early stages of the LDRD. The team developed several technologies necessary for this optic to be integrated into a flight demonstration. These include carbon fiber housings, highly detailed structural and thermal models and stress-reducing elastic averaging Hirth groove designs. These technologies resulted in a successful maturation of the optic, which is now slated to fly in late 2026/early 2027 for a demonstration mission. The second thrust was to advance the manufacturability of these optics. In collaboration with NIF’s optical manufacturing shop, we reduced polishing time from 480 hours to 65 hours through the implementation of optimized processes and new tools. The NIF team utilized a conceptual V8 (18 cm) optic to demonstrate this optimization, though it can be applied to the rest of the monolithic optic portfolio. Third, the team developed the first conceptual V20 (50 cm) payload, which is slated to be the next generation of LLNL optical payload systems. A set of structural, dynamic and thermal simulations were performed to identify potential challenges in the future development of this payload. Early-stage simulations suggest the payload is feasible, though thermal management will be the key focus area to maintain optimal performance. Fourth, a non-linear model of Viton was developed, to further enhance the reliability of our structural and dynamic models for future payloads. Viton acts as the primary interface material between the optic and its housing. Lastly, the team focused on successfully displaying the feasibility of using additively manufactured metal composites for optical space payloads. The team successfully demonstrated layer by layer deposition of Al-SiC composites, which have highly tunable structural and coefficient of thermal expansion (CTE) properties. These are crucial for optical payloads because CTE mismatch is one of the causes for degraded optical performance for telescopes in orbit. Overall, the work showed that monolithic telescopes could become a practical, lower-cost path to high-resolution space imaging for both national security and scientific missions.

42 ENGINEERING↗
DOE OSTI2024

Development of the tangent linear and adjoint models of the global online chemical transport model MPAS-CO 2 v7.3

We describe the development of the tangent linear (TL) and adjoint models of the Model for Prediction Across Scales (MPAS)-CO 2 transport model, which is a global online chemical transport model developed upon the non-hydrostatic Model for Prediction Across Scales – Atmosphere (MPAS-A). The primary goal is to make the model system a valuable research tool for investigating atmospheric carbon transport and inverse modeling. First, we develop the TL code, encompassing all CO 2 transport processes within the MPAS-CO 2 forward model. Then, we construct the adjoint model using a combined strategy involving re-calculation and storage of the essential meteorological variables needed for CO 2 transport. This strategy allows the adjoint model to undertake a long-period integration with moderate memory demands. To ensure accuracy, the TL and adjoint models undergo vigorous verifications through a series of standard tests. The adjoint model, through backward-in-time integration, calculates the sensitivity of atmospheric CO 2 observations to surface CO 2 fluxes and the initial atmospheric CO 2 mixing ratio. To demonstrate the utility of the newly developed adjoint model, we conduct simulations for two types of atmospheric CO 2 observations, namely the tower-based in situ CO 2 mixing ratio and satellite-derived column-averaged CO 2 mixing ratio (X CO 2 ). A comparison between the sensitivity to surface flux calculated by the MPAS-CO 2 adjoint model with its counterpart from CarbonTracker–Lagrange (CT-L) reveals a spatial agreement but notable magnitude differences. These differences, particularly evident for X CO 2 , might be attributed to the two model systems' differences in the simulation configuration, spatial resolution, and treatment of vertical mixing processes. Moreover, this comparison highlights the substantial loss of information in the atmospheric CO 2 observations due to CT-L's spatial domain limitation. Furthermore, the adjoint sensitivity analysis demonstrates that the sensitivities to both surface flux and initial CO 2 conditions spread out throughout the entire Northern Hemisphere within a month. MPAS-CO 2 forward, TL, and adjoint models stand out for their calculation efficiency and variable-resolution capability, making them competitive in computational cost. In conclusion, the successful development of the MPAS-CO 2 TL and adjoint models, and their integration into the MPAS-CO 2 system, establish the possibility of using MPAS's unique features in atmospheric CO 2 transport sensitivity studies and in inverse modeling with advanced methods such as variational data assimilation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Large‐ and small‐seeded species have contrasting functional neighborhoods in a subtropical forest

Abstract Forest community composition is the outcome of multiple forces, including those that increase taxonomic and functional divergence and those that promote convergence in traits. The mechanisms underlying these forces may not operate homogenously within communities; individuals of different species are never perfectly mixed, and thus, species tend to be surrounded and interact with different subsets of species. In fact, taxonomic and functional composition of neighborhoods of different focal species can be highly variable. Here, we examine whether mechanisms driving species‐level neighborhoods relate to intrinsic characteristics of focal species such as differences in life‐history and resource‐uptake strategies and in turn relate to species survival. We focus on two key characteristics: (1) seed mass, which defines a dominant axis of life‐history strategies related to stress tolerance, and (2) understory light preferences that sort species from light‐demanding pioneers to shade‐tolerant. We monitored seedling communities over 10 yr in Puerto Rico and calculated neighborhood trait dispersion in species‐level neighborhoods using seven functional traits. We examined whether species‐level characteristics, seed mass and preferred light conditions, influence patterns of functional dispersion in seedling neighborhoods using linear models. Then, we examined how species‐level functional neighborhoods impact seedling survival. We found that small‐ and large‐seeded species diverge in the type of functional neighborhoods they associate with. Large‐seeded species associate with neighbors that are more similar than expected in leaf economic traits, but more different than expected in seed mass and leaf area traits, while the opposite was found for small‐seeded species. This variation in species functional neighborhood was important in determining seedling survival. In sum, our results suggest that divergent and convergent forces do not operate homogenously over entire communities. Their relative role changes in space, and on a species‐by‐species basis, probably with a deterministic foundation linked to traits such as seed mass.

Umaña, María Natalia↗
DOE OSTI2022

A data science approach for analysis and reconstruction of spinodal-like composition fields in irradiated FeCrAl alloys

A statistical method for the analysis of continuously distributed data representative of composition fluctuations in irradiated FeCrAl alloys acquired using Energy Dispersive X-ray Spectroscopy (EDS) method is presented. Using probability distribution functions, direct and cross-covariances between the elemental compositions, the effects of alloy composition and irradiation dose were investigated on the spatial distribution and length scale of composition fluctuations at the nanoscale. We have observed that, for neutron-irradiated FeCrAl alloys, the distribution of Fe and Cr followed a left-skewed and right-skewed distribution, respectively for all (average) alloy compositions and irradiation doses. The analysis also revealed enhanced spatial gradients in the elemental compositions at higher irradiation dose. Direct and cross-covariance estimates of the experimental data were also utilized for reconstruction of composition data through fitting it to a parametric form of the covariance functions. Linear Model of Coregionalization was used to determine the parameters of the covariance functions. Subsequently, a spectral method was utilized for simulating a realization of the alloy compositions. Close correspondence was observed between the experimental and the reconstructed data which was analyzed using probability distribution functions and covariance functions. Composition space of the experimental and reconstructed data and dislocation velocities as a function of applied stress and line directions over the entire composition maps were also examined.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Optimal electric-distribution-grid planning considering the demand-side flexibility of thermal building systems for a test case in Singapore

The planning of district-scale electric grids, i.e., distribution grids, has traditionally relied on finding the most cost-effective design such that they are able to supply the peak loads in a district. With the advent of electric demand side flexibility (DSF), there is the opportunity to reshape peak loads such that the investment cost of the electric grid decreases in exchange for a minor increase in the operation cost. This paper formulates an optimal planning approach for the electric grid at the district scale, which incorporates the DSF from thermal building systems, e.g., heating ventilation and air-conditioning (HVAC) systems. The problem is formulated as a mixed-integer linear program (MILP) and aims at minimizing the investment cost for the grid along with the operation cost of the flexible loads. This is subjected to the fixed electricity demand and thermal comfort constraints of building occupants. To this end, linear models for the thermal comfort in the buildings and the power flow in electric grid are considered. The approach is tested on a district planning test case based in Singapore, where the results show up to 30.9 % reductions in investment cost and up to 3.7 % reduction in total annualized cost. Urban planning authorities, developers and utility companies can all benefit from the presented approach to make optimized investment decisions. For building operators, the results point to the need of adopting their control systems for DSF.

Troitzsch, Sebastian↗
DOE OSTI2023

Stochastic scheduling for commercial building cooling systems: considering uncertainty in zone temperature prediction

Here, this paper presents the first attempt to address the uncertainty in zone temperature prediction with stochastic optimization. The uncertain zone temperature is a process uncertainty and has not been considered in the existing stochastic optimization for building control. To fill this gap, we proposed a novel formulation of stochastic optimization to handle process uncertainty in building control. Specifically, we first examined the accuracy of a typical linear model for predicting zone temperature. We then formulated the scheduling of the building cooling system as a stochastic optimization problem over a 24-hour look-ahead period to minimize the electricity cost of the studied building cooling system. After that, we applied the proposed stochastic load scheduling (SLS) to a direct expansion (DX) cooling system that serves a medium office building. Through simulation with a detailed building energy simulation software, EnergyPlus, we evaluated the operational cost and the thermal comfort compared with a deterministic load scheduling. The operation cost of scheduling was found to vary with the level of zone temperature prediction uncertainty. The proposed SLS can mitigate the impacts of uncertain zone temperature predictions on both operational cost and thermal comfort. The evaluation results indicate that the proposed SLS works better when the uncertainty level is more significant.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Virtual refrigerant charge sensor for variable-speed heat pumps based on feature selection

The refrigerant charge level in heat pump systems significantly impacts their energy efficiency. Virtual refrigerant charge (VRC) sensing technology has been comprehensively investigated and well-established due to its lower cost compared to physical sensors. However, the previous VRC research often relied on expert judgment and physical reasoning for their variable selection, which can potentially select redundant (or highly correlated) or insignificant features, and it is also primarily focused on single-speed systems. To address these challenges, this study proposes a VRC algorithm for variable-speed heat pumps that selects features through a rigorous feature selection method in combination with physical insights. We also propose a piecewise linear model structure segmented by subcooling temperature to accurately predict charge levels, particularly when subcooling temperatures are substantially low. The proposed algorithm was evaluated using experimental data of a residential R410A heat pump, and the performance was compared with two baseline VRC algorithms. The results are: (1) The proposed algorithm outperforms for the case with subcooling temperature less than 1 °C. (2) The proposed algorithm achieves a tested mean absolute percentage error (MAPE) of 4.23%, and improves the overall accuracy for cooling conditions by approximately 60%, compared with the two baseline algorithms. (3) The proposed algorithm uses two fewer features and improves the accuracy for undercharge cooling conditions by 68.0%, compared with baseline algorithm 2. These improvements enhance prediction accuracy and prevent overfitting, providing a more reliable refrigerant charge level prediction and helping improve the heat pump energy efficiency.

Liang, Chenjiyu↗
DOE OSTI2020

A signal compensation based cascaded PI control for an industrial heat exchange system

Since the characteristics of the industrial heat exchange system (HES) are drastically affected by variations of the steam pressure, ambient temperature and water quality, it is difficult for the classical cascade PI control system to meet the desirable control objectives. Therefore, in this paper, a deterministic linear model with unmodeled dynamics is used to describe the dynamic characteristics of the HES. It should be noted that the unmodeled dynamics at the previously sampled instant can be calculated using actual measurements and that the tracking error, which includes effects of the rate of changes of unmodeled dynamics on the controlled model, can be accurately determined. An additional compensating signal is obtained with the feedforward control together with a one-step optimal control law. Consequently, the cascade PI control strategy with the signal compensation is established. Furthermore, the simulation and industrial application show that the proposed method can effectively improve the performance of the cascade PI control system, especially when the unmodeled dynamics is subjected to unknown variations.

42 ENGINEERING↗
DOE OSTI2020

Results of a fishery-independent longline survey targeting coastal sharks in the eastern Bahamas between 1979 and 2013

Long-term trends in shark abundance offer important insights for fisheries management. Few fisheries-independent, extended time-series data exist for coastal shark species in the northwest Atlantic Ocean or Caribbean outside of the United States. A decades old dataset comprised of standardized longline surveys provided us with the opportunity to characterize diversity and evaluate changes in the relative abundance of sharks in the eastern Bahamas between 1979–1990 and 2011–2013. Caribbean reef sharks Carcharhinus perezi and tiger sharks Galeocerdo cuvier were the two most commonly captured species throughout the survey and were the only two species analyzed in detail. For both species, sex ratios favored females. Using Bayesian generalized linear models, we found that Caribbean reef shark catch-per-unit-effort (CPUE) exhibited a positive relationship with year and temperature, while size exhibited no relationship with year and a negative relationship with temperature. There was no relationship between tiger shark CPUE and year but there was a positive relationship between size and year. These results are presented in the context of Bahamian shark conservation efforts and the results of other surveys in the region.

Fisheries-independent survey, Caribbean reef shark↗
DOE OSTI2024

Weighted Composition Operators for Learning Nonlinear Dynamics

Operator theoretic methods in dynamical system have been dominated by the use of Koopman operators and their continuous time counterparts, such as Koopman Generators and Liouville Operators. The advantage gained from their use primarily stems from the ability to extract subspaces and eigenfunctions within a space of observables that are invariant with respect to the Koopman operator over that space. When this occurs, a dynamic mode decomposition of the systems state provides a linear model for the dynamical system. Not all Koopman operators have eigenfunctions that may be exploited in this manner. However, the framework can still be leveraged for approximations using other operators. In this setting, we present a different operator for the study of dynamical systems, the weighted composition operator. These operators are compact for a wide range of dynamics and spaces, and through their interactions with occupation kernels and vector valued kernels, they admit an estimation of the underlying dynamics. Here, this manuscript presents a new algorithm for the data driven study of dynamical systems from data, and also provides two numerical experiments where convergence is achieved as a proof of concept.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Predicting transcription factor activity using prior biological information

Dysregulation of normal transcription factor activity is a common driver of disease. Therefore, the detection of aberrant transcription factor activity is important to understand disease pathogenesis. We have developed Priori, a method to predict transcription factor activity from RNA sequencing data. Priori has two key advantages over existing methods. First, Priori utilizes literature-supported regulatory information to identify transcription factor-target gene relationships. It then applies linear models to determine the impact of transcription factor regulation on the expression of its target genes. Second, results from a third-party benchmarking pipeline reveals that Priori detects aberrant activity from 124 single-gene perturbation experiments with higher sensitivity and specificity than 11 other methods. We applied Priori and other top-performing methods to predict transcription factor activity from two large primary patient datasets. Our work demonstrates that Priori uniquely discovered significant determinants of survival in breast cancer and identified mediators of drug response in leukemia.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Low-dissipation centred schemes for hyperbolic equations in conservative and non-conservative form

We propose a one-parameter family of low-dissipation centred numerical schemes for solving hyperbolic equations in conservative or non-conservative form, using finite volume or discontinuous Galerkin finite element methods. The new schemes spring out from the multi-dimensional FORCE method and are determined by a single parameter α ≥ 1. Given an increasing sequence of real numbers 1 ≤ α 1 < α 2 < . . . < α K , there corresponds a sequence of numerical schemes with stability restriction associated to a decreasing sequence of Courant numbers 1 > c 1 > c 2 > . . . > c K > 0 and a decreasing sequence of corresponding numerical viscosity functions d 1 > d 2 > . . . > d K . For a given Courant number c k ≤ 1 there is a real number α k > 0 and a corresponding stable scheme with minimal numerical viscosity d k . The proposed schemes suit very well the family of high-order discontinuous Galerkin finite element methods and the recently proposed class of ADER-TR schemes, whose orders of accuracy define decreasing sequences of Courant numbers, as the order of accuracy increases. The centred methods of this paper are stable in 2D and 3D in the frame of simultaneous updating formulae, unlike other centred methods, such as 1D FORCE, which are not. Furthermore, the schemes are highly accurate for slowly-moving waves, which is precisely the kind of waves that traditional centred methods smear disastrously. Additional features of the proposed schemes include ease of implementation and applicability to any hyperbolic system either in conservative or non-conservative form. Here, the proposed schemes are analysed and computationally assessed through a suite of test problems for a linear model system, for the Euler equations in one and two space dimensions, and for the Baer-Nunziato equations for compressible two-phase flow.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Spectroscopic and computational investigations of organometallic complexation of group 12 transition metals by methanobactins from Methylocystis sp. SB2

Methanotrophic bacteria catalyze the aerobic oxidation of methane to methanol using Cu-containing enzymes, thereby exerting a modulating influence on the global methane cycle. To facilitate the acquisition of Cu ions, some methanotrophic bacteria secrete small modified peptides known as “methanobactins,” which strongly bind Cu and function as an extracellular Cu recruitment relay, analogous to siderophores and Fe. In addition to Cu, methanobactins form complexes with other late transition metals, including the Group 12 transition metals Zn, Cd, and Hg, although the interplay among solution-phase configurations, metal interactions, and the spectroscopic signatures of methanobactin-metal complexes remains ambiguous. In this study, the complexation of Zn, Cd, and Hg by methanobactin from Methylocystis sp. strain SB2 was studied using a combination of absorbance, fluorescence, extended x-ray absorption fine structure (EXAFS) spectroscopy, and time-dependent density functional theory (TD-DFT) calculations. We report changes in sample absorbance and fluorescence spectral dynamics, which occur on a wide range of experimental timescales and characterize a clear stoichiometric complexation dependence. Mercury L3-edge EXAFS and TD-DFT calculations suggest a linear model for Hg--S coordination, and TD-DFT suggests a tetrahedral model for Zn 2+ and Cd 2+ . We observed an enhancement in the fluorescence of methanobactin upon interaction with transition metals and propose a mechanism of complexation-hindered isomerization drawing inspiration from the wild-type Green Fluorescent Protein active site. Collectively, our results represent the first combined computational and experimental spectroscopy study of methanobactins and shed new light on molecular interactions and dynamics that characterize complexes of methanobactins with Group 12 transition metals.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Six-dimensional matching of intense beam with linear accelerating structure

Beam matching is a common technique that is routinely employed in accelerator design with the aim of minimizing beam losses and preservation of beam brightness. Despite being widely used, a full theoretical understanding of beam matching in 6D remains elusive. In this work, we present an analytical treatment of 6D beam matching of a high-intensity beam onto an RF structure. We begin our analysis within the framework of a linear model, and apply the averaging method to a set of 3D beam envelope equations. Accordingly, we obtain a matched solution that is comprised of smoothed envelopes and periodic terms, describing envelope oscillations with the period of the focusing structure. We then consider the nonlinear regime, where the beam size is comparable with the separatrix size. Stating with a Hamiltonian analysis in 6D phase space, we attain a self-consistent beam profile and show that it is significantly different from the commonly used ellipsoidal shape. Subsequently, we analyze the special case of an equilibrium with equal space charge depression between all degrees of freedom. Comparison of beam dynamics for equipartitioned, equal space charge depression, and equal emittances beams is given. Finally, we present experimental results on beam matching in the LANSCE linac.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Aerosol iron speciation and seasonal variation of iron oxidation state over the western Antarctic Peninsula

The iron (Fe) speciation and oxidation state have been considered critical factors affecting Fe solubility in the atmosphere and bioavailability in the surface ocean. In this study, elemental composition and Fe speciation in aerosol samples collected at the Palmer Station in the West Antarctic Peninsula were determined using synchrotron-based X-ray fluorescence (XRF) and X-ray Absorption Near-Edge Structure (XANES) spectroscopy. The elemental composition of coarse-mode (>1 mu m) Fe-containing particles suggests that the region's crustal emission is the primary source of aerosol Fe. The Fe minerals in these aerosol particles were predominantly hematite and biotite, but minor fractions of pyrite and ilmenite were observed as well. The Fe oxidation state showed an evident seasonal variation. Further, the Fe(II) content accounted for 71% of the total Fe in the austral summer, while this fraction dropped to 60% in the austral winter. Multivariate linear models involving meteorological parameters suggested that the wind speed, relative humidity, and solar irradiance were the factors that significantly controlled the percentage of Fe(II) in the austral summer. On the contrary, no relationship was found between these factors and the Fe(II) percentage in the austral winter, suggesting that atmospheric photoreduction and regional dust emission were limited. Moreover, the snow depth was significantly (p < 0.05) correlated with the aerosol Fe concentration, confirming the limiting effect of snow/ice cover on the regional dust emission. Given that the Antarctic Peninsula has experienced rapid warming during recent decades, the ice-free areas in the Antarctic Peninsula may act as potential dust sources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Energetics of Salt-Bearing Sodalites, Na 8 Al 6 Si 6 O 24 X 2 (X = SO 4 , ReO 4 , Cl, I): A Treatment Option for Pertechnetate-Enriched Nuclear Waste Streams

An alternative option for treating anion-enriched reprocessed nuclear waste streams is to immobilize technetium-99 ( 99 Tc, β = 293.7 keV, t 1/2 = 2.1 × 10 5 years) and other anions in micro- and mesoporous materials. Here we determine the thermodynamic stability of anion bearing sodalites, Na 8 Al 6 Si 6 O 24 X 2 (X = SO 4 , ReO 4 , Cl, I), to improve our understanding of the driving forces that control framework assembly using high temperature oxide melt solution calorimetry. Raman and FTIR spectroscopy illustrate a strong dependence for vibrational features on anion size and enabled the development of a linear model that predicted the vibrational features for numerous anion bearing sodalites to within ±20 cm –1 (i.e., OH, F, Br, ClO 4 , NO 3 , and MnO 4 ). The largest negative enthalpy of formation from elements and the lack of structural water demonstrate that the perrhenate sodalite (Na 8 Al 6 Si 6 O 24 [ReO 4 ] 2 ), a chemical analogue for pertechnetate sodalite (Na 8 Al 6 Si 6 O 24 [TcO 4 ] 2 ), is more thermodynamically stable than all other anion bearing sodalites evaluated. The enthalpies of the reaction between nepheline and the sodium salt, which provides the guest anion species, was negative only for the ReO 4 and NO 3 bearing sodalites. Overall, we report for the first time the enthalpy of the ion exchange reactions for different anion bearing sodalites relative to the perrhenate sodalite, which is a key step in gaining the ability to tune sodalite material properties and structure during treatment and the immobilization of 99 Tc in the presence of competing anions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Factors Governing Oxygen Vacancy Formation in Oxide Perovskites

The control of oxygen vacancy (V O ) formation is critical to advancing multiple metal-oxide-perovskite-based technologies. In this work, we report the construction of a compact linear model for the neutral V O formation energy in ABO 3 perovskites that reproduces, with reasonable fidelity, Hubbard-U-corrected density functional theory calculations based on the state-of-the-art, strongly constrained and appropriately normed exchange-correlation functional. We obtain a mean absolute error of 0.45 eV for perovskites stable at 298 K, an accuracy that holds across a large, electronically diverse set of ABO 3 perovskites. Our model considers perovskites containing alkaline-earth metals (Ca, Sr, and Ba) and lanthanides (La and Ce) on the A-site and 3d transition metals (Ti, V, Cr, Mn, Fe, Co, and Ni) on the B-site in six different crystal systems (cubic, tetragonal, orthorhombic, hexagonal, rhombohedral, and monoclinic) common to perovskites. Physically intuitive metrics easily extracted from existing experimental thermochemical data or via inexpensive quantum mechanical calculations, including crystal bond dissociation energies and (solid phase) reduction potentials, are key components of the model. Beyond validation of the model against known experimental trends in materials used in solid oxide fuel cells, the model yields new candidate perovskites not contained in our training data set, such as (Bi,Y)(Fe,Co)O 3 , which we predict may have favorable thermochemical water-splitting properties. The confluence of sufficient accuracy, efficiency, and interpretability afforded by our model not only facilitates high-throughput computational screening for any application that requires the precise control of V O concentrations but also provides a clear picture of the dominant physics governing V O formation in metal-oxide perovskites.

08 HYDROGEN↗