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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.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Isotherm, Kinetic, Process Modeling, and Techno-Economic Analysis of a Diamine-Appended Metal-Organic Framework for CO 2 Capture Using Fixed Bed Contactors

In this report, diamine-appended metal-organic frameworks exhibiting step-shaped CO 2 adsorption are exceptional candidates for energy-efficient carbon capture. However, there are few studies examining their performance in real-world capture scenarios, in part due to the challenge inherent in modeling their CO 2 uptake behavior. Here, we develop a dual-site Sips model to fit experimental CO 2 adsorption data for dmpn-Mg 2 (dobpdc) (dmpn = 2,2-dimethyl-1,3-diaminopropane; dobpdc 4- = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate) and develop a linear driving force model for the adsorption kinetics based on available experimental data. These models are used to develop a dynamic, fixed bed, nonisothermal contactor model using shaped particles of the material, which is validated with experimental breakthrough data. We also examine the effects of the high heat of adsorption of the material on CO 2 uptake performance and find that heat removal is essential to maximize capture performance. We finally investigate "basic"(no bed cooling during adsorption) and "modified"(bed cooling during adsorption) temperature swing adsorption (TSA) processes using dmpn-Mg 2 (dobpdc), and their process economics are compared to a state-of-the-art monoethanolamine (MEA) capture system with and without heat recovery. In the absence of heat recovery, the adsorbent systems are more costly than established technology. However, with 85% heat recovery, both adsorbent-based TSA processes are projected to cost less than the MEA system. This work highlights that thermal management is vital for implementation of dmpn-Mg 2 (dobpdc) as a viable CO 2 capture technology. Investigation of other contactor technologies that can provide unique ways to manage system heat represent promising future areas of study.

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

A multiscale insight into the growth of h-BN: effect of the enclosure

Abstract There is a lack of knowledge on the fundamental growth mechanisms governing the characteristics of 2D materials synthesized by the chemical vapor deposition (CVD) technique and their correlation with experimentally controllable parameters, which hindered their wafer-scale synthesis. Here, we pursued an analytical and computational approach to access the system states that are not experimentally viable to address these critical needs. We developed a multiscale computational framework correlating the macroscale heat and mass flow with the mesoscale morphology of the as-grown 2D materials by solving the coupled system of heat/mass transfer and phase-field equations. We used hexagonal boron nitride (h-BN) as our model material and investigated the effect of substrate enclosure on its growth kinetics and final morphology. We revealed a lower concentration with a more uniform distribution on the substrate in an enclosed-growth than open-growth. It leads to a more uniform size distribution of the h-BN islands, consistent with existing experimental investigations.

Materials Science↗
DOE OSTI2024

Experimental Validation of Thermal Hydraulic Behavior in Sodium Fast Reactors (SFR) with the Thermal Hydraulic Experimental Test Article (THETA)

Thermal stratification and transition to natural circulation pose two of the largest sources of uncertainty in systems-level modeling of liquid metal-cooled fast reactors. As these phenomena typically develop during transient event sequences, licensing-basis events analyzed using systemslevel models may have considerable uncertainties associated with thermal-hydraulic parameters of the system to account for these phenomena. As a result, the validation basis for these phenomena for systems-level codes is insufficient to fully support the wide range of liquid metal fast reactors being developed in the US. Currently, the most viable path for licensing a design is to take significant conservatisms and maintain sufficiently large safety margins to account for this uncertainty.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Active and Transfer Learning of High-Dimensional Neural Network Potentials for Transition Metals

Classical molecular dynamics (MD) simulations represent a very popular and powerful tool for materials modeling and design. The predictive power of MD hinges on the ability of the interatomic potential to capture the underlying physics and chemistry. There have been decades of seminal work on developing interatomic potentials, albeit with a focus predominantly on capturing the properties of bulk materials. Such physics-based models, while extensively deployed for predicting the dynamics and properties of nanoscale systems over the past two decades, tend to perform poorly in predicting nanoscale potential energy surfaces (PESs) when compared to high-fidelity first-principles calculations. These limitations stem from the lack of flexibility in such models, which rely on a predefined functional form. Machine learning (ML) models and approaches have emerged as a viable alternative to capture the diverse size-dependent cluster geometries, nanoscale dynamics, and the complex nanoscale PESs, without sacrificing the bulk properties. Here, in this study, we introduce an ML workflow that combines transfer and active learning strategies to develop high-dimensional neural networks (NNs) for capturing the cluster and bulk properties for several different transition metals with applications in catalysis, microelectronics, and energy storage, to name a few. Our NN first learns the bulk PES from the high-quality physics-based models in literature and subsequently augments this learning via retraining with a higher-fidelity first-principles training data set to concurrently capture both the nanoscale and bulk PES. Our workflow departs from status-quo in its ability to learn from a sparsely sampled data set that nonetheless covers a diverse range of cluster configurations from near-equilibrium to highly nonequilibrium as well as learning strategies that iteratively improve the fingerprinting depending on model fidelity. All the developed models are rigorously tested against an extensive first-principles data set of energies and forces of cluster configurations as well as several properties of bulk configurations for 10 different transition metals. Our approach is material agnostic and provides a methodology to transfer and build upon the learnings from decades of seminal work in molecular simulations on to a new generation of ML-trained potentials to accelerate materials discovery and design.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Initial Engineering and Design for CO 2 Capture from Ethanol Facilities

The Energy & Environmental Research Center, in partnership with the U.S. Department of Energy (DOE) and North Dakota ethanol producer Red Trail Energy, LLC (RTE) and with technical support from Trimeric Corporation and the KLJ engineering firm, completed an initial engineering design (IED) for a hybrid capture system to estimate associated costs for retrofitting the operational RTE ethanol plant. The project goal supports the DOE objective to achieve negative emissions using commercially available technologies to attain Technology Readiness Level 6+ from a facility emitting >100,000 tonnes of carbon dioxide (CO 2 ) annually. The RTE CCS (carbon capture and storage) Project is currently operating a CO 2 capture facility, adjacent to the RTE ethanol facility in western North Dakota, and injecting the CO 2 more than a mile below RTE property for permanent storage. This novel hybrid capture system would process about 310,000 tonnes of CO 2 annually for the RTE host site and includes CO 2 capture and compression from bioprocessing as well as capturing CO 2 produced from natural gas boilers. The bioprocessing capture process, based on past RTE studies investigating ammonia liquefaction technology with CO 2 produced from natural gas boilers captured utilizing chemical absorption with amine, was shown to be technically feasible for the RTE site. Activities conducted to support the project goal included 1) designing a hybrid capture system using CO 2 emissions from both bioprocessing and heat production at the host site facility; 2) conducting a pre-front-end engineering and design analysis of the hybrid capture system to include environmental health and safety, a constructability report, identification of permits, and corporate approvals; and 3) performing a techno-economic assessment in accordance with DOE’s methodology, as demonstrated by the bituminous baseline study. In addition, a life cycle assessment (LCA) was completed for the RTE site to estimate the carbon life cycle for ethanol-CCS implementation using the designed hybrid capture system to determine potential for net-negative carbon emissions. Results of the IED showed the hybrid system to be technically viable, with a moderate estimated cost of $55/tonne CO 2 captured for the hybrid system. The cradle-to-gate LCA showed preliminary net-negative carbon emissions potential anticipated from implementing a hybrid CCS system at a commercial scale. Recommended next steps toward potential implementation include hybrid capture system demonstration testing for detailed engineering and LCA model comparisons with low-carbon fuel incentive programs for financial support.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Achieving Diesel Powertrain Ownership Parity in Battery Electric Heavy Duty Commercial Vehicles Using a Rapid Recurrent Recharging Architecture

Battery electric vehicles (BEV) in heavy duty (HD) commercial freight transport face challenging technoeconomic barriers to adoption. Specifically, beyond safety and compliance, fleet and operational logistics require both high up-time and parity with diesel system productivity/Total Cost of Ownership (TCO) to enable strong adoption of electrified powertrains. At present, relatively high energy storage prices coupled with the increased weight of BEV systems limit the practicality of HD commercial freight transport to shorter range applications, where smaller batteries will suffice for the mission energy requirements (single operational shift). This paper presents an approach to extend the feasibility of BEV HD trucking for a broad range of applications. The concept is based on the leveraging rapid and recurrent recharging of a BEV HD truck that may either already make frequent stops due to shipment drop-offs/reloading or be required to make frequent stops along with longer missions for recharging. While the challenges of the latter are well appreciated, the concept proposed explores making minimal impact to overall mission time by targeting high C-rate charging while optimizing the frequency (miles) through which these events must occur. The concept optimizes battery size and chemistry, such that the expected life (years and total energy throughput) is balanced with the depth of discharge between recharging events, thus making complete use of the energy available through the life of the battery system. The solution is constrained to minimize the impact on payload capacity. The paper analyzes critical levers in achieving diesel price parity (based on a simplified vehicle TCO), achieved through different purchase options (including lease versus buy) and operational models (half-life swap out). Finally, the paper identifies the application design domain where these solutions are viable with limited impact on fleet operations.

Sujan, Vivek↗
DOE OSTI2022

A thermochemical study of iron aluminate-based materials: a preferred class for isothermal water splitting

The use of hydrogen as a renewable fuel has been stymied by our inability to produce it cleanly and economically. The conventional solar thermochemical approach considers a two-step redox cycle with benchmark ceria or a perovskite in a temperature swing configuration, where reduction occurs at a temperature much higher than oxidation. Isothermal redox cycling is feasible and avoids the solid–solid heat recuperation and material stability challenges associated with temperature swing; yet, it has long been thought to be inefficient due to the thermodynamic unfavorability of operating the exothermic oxidation reaction at higher temperatures. Here, in this work, we show that this setback can be overcome with iron aluminate-based spinel solid solutions that preferentially exhibit large changes in oxygen content within the range of oxygen partial pressures expected in large-scale systems. We explain the experimental results with a defect model that assigns cation – not oxygen – vacancies as the predominant point defect responsible for their superior water-splitting ability. When operated isothermally at 1400 °C, the iron aluminate-based materials demonstrate a capacity for hydrogen production greater than 500 μmol g–1 and, as a result, remain viable even under high conversion conditions (i.e., pO 2 < 500 : 1 H 2 O : H 2 ), exceeding the hydrogen yields of ceria and two attractive perovskite candidates following a 400 °C (or less) temperature swing. Isothermal water splitting using iron aluminate-based materials opens the door for more simple, robust, and efficient production of renewable hydrogen.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tropical Cyclone Wind Shear-Relative Asymmetry in Reanalyses

Abstract While tropical cyclones (TCs) are axisymmetric vortices to the first order, they often exhibit noteworthy structural asymmetries. These often result from environmental vertical wind shear, which tilts the vortex and induces a wavenumber 1 pattern in the circulation and precipitation fields. Reanalyses and climate models have improved in representing the TC structure and climatology, but their relatively coarse resolution and dependence on parameterized physics cast doubt on their ability to capture the asymmetric TC structure. We perform the most comprehensive process-oriented assessment of TC asymmetry to date in reanalyses. Specifically, we analyze the composite shear-relative TC structure in ERA5 and Climate Forecast System Reanalysis (CFSR), which vary in their resolutions, physical parameterization suites, and data assimilation techniques. These structures are compared with aircraft reconnaissance radar observations. In agreement with the observations, the strongest tangential winds are usually found left-of-shear, while inner core rainfall, ascent, vortex tilt, and low-level inflow are favored directly downshear or in the downshear-left quadrant. Outer rainband convection generally peaks in the downshear-right quadrant. Thermodynamic asymmetries are also apparent, with anomalous low-level moisture right-of-shear, midlevel warmth in the upshear-right quadrant (uptilt), and cloud properties suggestive of a realistic precipitation life cycle from growth to fallout. We also decompose rainfall contributions from the convective parameterization and large-scale cloud schemes and highlight the roles of vorticity advection, buoyancy advection, and diabatic processes in driving asymmetric vertical motions in the inner core and outer rainband regions. Our results suggest that process-level studies of TC asymmetry and TC–wind shear interaction under future warming are viable using climate models. Significance Statement Asymmetries are common in tropical cyclones (TCs), influencing their intensity, track, and hazards. Vertical wind shear often plays a leading-order role in causing these asymmetries. It is uncertain how well asymmetric structures and processes are captured in reanalyses and global climate models (GCMs) with grid spacings of 0.25° and coarser. In this study, we first evaluate TC asymmetry in reanalyses, which have the benefit of being forced by observations. This helps to assess whether the resolutions associated with GCMs sufficiently capture asymmetric structures and processes and motivates upcoming work with free-running GCMs to study how TC asymmetry may change in a warming climate.

Carstens, Jacob D.↗
DOE OSTI2022

Cell-Free Protein Synthesis for High-Throughput Biosynthetic Pathway Prototyping

Biological systems provide a sustainable and complimentary approach to synthesizing useful chemical products. Metabolic engineers seeking to establish economically viable biosynthesis platforms strive to increase product titers, rates, and yields. Despite continued advances in genetic tools and metabolic engineering techniques, cellular workflows remain limited in throughput. It may take months to test dozens of unique pathway designs even in a robust model organism, such as Escherichia coli. In contrast, cell-free protein synthesis enables the rapid generation of enzyme libraries that can be combined to reconstitute metabolic pathways in vitro for biochemical synthesis in days rather than weeks. Cell-free reactions thereby enable comparison of hundreds to thousands of unique combinations of enzyme homologs and concentrations, which can quickly identify the most productive pathway variants to test in vivo or further characterize in vitro. Furthermore, this cell-free pathway prototyping strategy provides a complementary approach to accelerate cellular metabolic engineering efforts toward highly productive strains for metabolite production.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Probing a Silent Metal: A Combined X-ray Absorption and Emission Spectroscopic Study of Biologically Relevant Zinc Complexes

As the second most common transition metal in the human body, Zinc is of great interest in research but has few viable routes for its direct structural study in biological systems. Herein, Zn valence-to-core X-ray emission spectroscopy (VtC XES) and Zn K-edge X-ray absorption spectroscopy (XAS) are presented as a means to understand the local structure of zinc in biological systems through the application of these methods to a series of biologically relevant model complexes. Taken together, the Zn K-edge XAS and VtC XES provide a means to establish the ligand identity, local geometry, and metal-ligand bond lengths. Experimental results were supported by strongly correlated density-functional-theory-based calculations, which, coupled with the complementarity of the two spectroscopic approaches, further enables future applications to protein systems to be examined in a predictive fashion. In this regard, test calculations were performed to showcase the sensitivity of these techniques to realistic biological applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Directed evolution of phosphite dehydrogenase to cycle noncanonical redox cofactors via universal growth selection platform

Abstract Noncanonical redox cofactors are attractive low-cost alternatives to nicotinamide adenine dinucleotide (phosphate) (NAD(P) + ) in biotransformation. However, engineering enzymes to utilize them is challenging. Here, we present a high-throughput directed evolution platform which couples cell growth to the in vivo cycling of a noncanonical cofactor, nicotinamide mononucleotide (NMN + ). We achieve this by engineering the life-essential glutathione reductase in Escherichia coli to exclusively rely on the reduced NMN + (NMNH). Using this system, we develop a phosphite dehydrogenase (PTDH) to cycle NMN + with ~147-fold improved catalytic efficiency, which translates to an industrially viable total turnover number of ~45,000 in cell-free biotransformation without requiring high cofactor concentrations. Moreover, the PTDH variants also exhibit improved activity with another structurally deviant noncanonical cofactor, 1-benzylnicotinamide (BNA + ), showcasing their broad applications. Structural modeling prediction reveals a general design principle where the mutations and the smaller, noncanonical cofactors together mimic the steric interactions of the larger, natural cofactors NAD(P) + .

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

INGENIOUS - Great Basin Regional Dataset Compilation

This is the regional dataset compilation for the INnovative Geothermal Exploration through Novel Investigations Of Undiscovered Systems (INGENIOUS) project. The primary goal of this project is to accelerate discoveries of new, commercially viable hidden geothermal systems while reducing the exploration and development risks for all geothermal resources. These datasets will be used in INGENIOUS as input features for predicting geothermal favorability throughout the Great Basin study area. Datasets consist of shapefiles, geotiffs, tabular spreadsheets, and metadata that describe: 2-meter temperature probe surveys, quaternary faults and volcanic features, geodetic shear and dilation models, heat flow, magnetotellurics (conductance), magnetics, gravity, paleogeothermal features (such as sinter and tufa deposits), seismicity, spring and well temperatures, spring and well aqueous geochemistry analyses, thermal conductivity, and fault slip and dilation tendency. For additional project information, see the INGENIOUS project site linked in the submission. Terms of use: These datasets are provided "as is", and the contributors assume no responsibility for any errors or omissions. The user assumes the entire risk associated with their use of these data and bears all responsibility in determining whether these data are fit for their intended use. These datasets may be redistributed with attribution (see citation information below). Please refer to the license information on this page for full licensing terms and conditions.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Hybrid Capture for Net-Negative Emissions

The Energy & Environmental Research Center, in partnership with the U.S. Department of Energy and North Dakota ethanol producer Red Trail Energy, LLC (RTE), completed an initial engineering design (IED) for a potential hybrid capture system at the RTE CCS (carbon capture and storage) site. The RTE CCS Project is currently operating a CO2 capture facility, adjacent to the RTE ethanol facility in western North Dakota, and injecting the CO2 more than a mile below RTE property for permanent storage. This novel process would add capturing CO2 produced from natural gas boilers to the existing bioprocessing capture system to achieve a net-negative CO2 emissions industrial process at commercial scale (~310,000 tonnes/yr CO2). Initial findings of the IED showed the hybrid system to be technically viable with a moderate estimated cost of $55/tonne CO2 captured for the hybrid system. A cradle-to-gate life cycle assessment (LCA) was also conducted, showing preliminary net-negative carbon emissions potential anticipated from implementing a hybrid CCS system at a commercial scale. Recommended next steps toward potential implementation include hybrid capture system demonstration testing for detailed engineering and LCA model comparisons with low-carbon fuel incentive programs for financial support.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

CdTe Core: Final Technical Report (FTR)

CdTe is presently the cost-leading thin-film PV technology, directly competing with Si at scale, even when domestically manufactured. While an impressive technology, its efficiency remains much below the detailed balance limit with the largest cause due to its low photovoltage and fill factor. To realize gains, the carrier concentration, minority carrier lifetime, and interface recombination all need to be improved simultaneously over historic levels. Using a new defect chemistry (group V doping instead of copper) has been identified as a viable route using single crystal systems. This project focused on implementing this new defect chemistry in scalable, polycrystalline thin-film photovoltaic CdTe devices with tasks focusing improvements to the front interface, absorber, and rear interface as well as capability development & stakeholder engagement. The goal of the project was to establish a strategy using devices, test structures, detailed characterization, and modeling to quantify the sources of losses in state-of-the-art CdTe photovoltaic devices. Using this strategy and advanced synthesis, losses at the front interface, absorber, and rear interface were worked on in parallel. The final objective was to significantly improve the voltage deficit in CdTe devices to enable improvements in photovoltage and efficiency that can be implemented by industry in the near-term. Over the course of the project, the team developed new characterization techniques, analysis, and modeling which were then applied to state-of-the-art materials generated internally and collaboratively. In particular to enable rapid progress, NREL worked closely with First Solar where NREL grew complete devices as well as ones that interleaved process steps where First Solar had completed different steps such as absorber growth or absorber growth and activation using their baseline methods. Using detailed characterization and analysis including photoemission, photoluminescence, and scanning probe techniques enabled understanding of the loss pathways and area for improvements in our own and First Solar s materials. Ultimately, this contributed to the first series of new world record CdTe efficiencies since 2016, culminating in a 23.1% certified cell that was P-doped along with As-doped cells of similar performance. Internally, NREL improved the statistical variation in baseline As-doped devices and improved average photovoltage by over 100 mV. This was done through an improvement in absorber quality, changed front interface, and improved back contact. In addition to materially improving the fabrication processes at NREL, characterization, analysis, and modeling were developed and disseminated. NREL also played a pivotal role in community building over the course of this project working closely with the Cadmium Telluride Accelerator Consortium. NREL worked in a series of collaborations with academic and industry partners, leveraging knowledge and innovations from this project, as well as helped organize a series of workshops to ensure rapid progress in the field. Working closely with the academic community has led to a dissemination of knowledge; working with First Solar as increased US competitiveness First Solar expanded domestic production to ~10 GW and opened new facilities.

14 SOLAR ENERGY↗
DOE OSTI2021

Speciation Correlations between Uranium and Iodine

The National Nuclear Security Administration’s Office of Conversion has been supporting development of molybdenum-99 production methods utilizing non-highly enriched uranium targets. One of the novel methods being considered is the use of an aqueous homogeneous subcritical system. Concerns about controlling potentially volatile radioiodine have led to efforts to characterize the iodine species in this system. This report examined the potential to characterize the chemical species of the iodine by correlating it with analyses of uranium, which is more ubiquitous in the target material and suitable for on-line monitoring. Direct measurement of the iodine species would be infeasible due to the difficulty in performing analyses. The use of chemometric modeling utilizing spectral analyses is viable for the uranium measurements, however, a better understanding of the radiolytic effects of neutrons and the corresponding relationship between uranium and iodine is required to correlate any measurements to iodine speciation.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

Numerical Investigation of Susceptor-Catalyst Design for Ethylene Generation in Radio Frequency Based Reactors

Ethylene is the most widely produced petrochemical component in the world. Whether reactors are heated directly or indirectly via steam, manufacturers use economies of scale to overcome inherent thermodynamic inefficiencies when burning fossil fuels. While allowing large-scale operations to use alternative sources of energy and raw materials, new methods of supplying energy to chemical reactor systems can reduce the energy waste produced by conventional processes. One viable method for effectively supplying energy to reactor systems is electromagnetic (EM) induction heating. Using the properties of radio frequency (RF) waves, heterogeneous catalysts can be precisely targeted for heating inside reactors. Site-selective heating can greatly lower the energy requirements of the process by supplying heat to reaction sites while reducing needless heat transfer elsewhere. In this study, a microscale model was used to help create guidelines for susceptors and catalysts to improve ethylene production. The oxidative dehydrogenation of ethane is investigated by utilizing several catalysts and potential catalyst/susceptor combinations, with heat provided by an EM susceptor. Having the susceptors and catalyst function separately results in higher gradients in both heat and mass transfer, which drives transport through the catalyst region, while still providing adequate heating for endothermic reactions. However, using a susceptive core with a catalyst covering produces the maximum ethylene concentration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Metal oxide candidates for thermochemical water splitting obtained with a generative diffusion model

Generative diffusion models (DMs) for inorganic crystalline materials are being actively investigated for their potential to expand the chemical and structural design spaces for known functional materials. Generative candidates are particularly useful for applications where few functional, let alone commercially viable, materials currently exist, such as metal oxides for thermochemical water-splitting, which have strict requirements for defect thermodynamics and host stability. Here, we critically examine generated metal oxides from the M ATTER G EN DM conditioned on select chemical systems for thermochemical water splitting applications. Perhaps most notably, we find that M ATTER G EN predicts a novel, thermodynamically stable, quinary metal oxide, Ba 2 SrInFeO 6 , although this compound represents an ordered and layered substitution within the same A 3 B 2 O 6 structural prototype as its two ternary end members. Detailed density functional theory calculations and spin configuration sampling for this material and its possible decomposition products—beyond what existed in M ATTER G EN training data—are required to quantitatively validate hull energy predictions and conclusions of stability. Furthermore, the material exhibits oxygen defect formation energies appropriate for thermochemical water splitting, warranting targeted investigation in an experimental validation campaign, along with other future M ATTER G EN candidates in this application space.

36 MATERIALS SCIENCE↗