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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Degradation of Magnetic Materials for High-Temperature Active Magnetic Bearing Applications in CO₂-Based Environments

High-temperature Active Magnetic Bearings (AMBs) are a promising alternative to conventional bearings in hermetically sealed turbomachinery for supercritical CO₂ (sCO₂) systems. They offer reduced CO₂ leakage, lower windage losses, enhanced misalignment tolerance, reduced wear, and built-in diagnostic capabilities. A critical challenge, however, is ensuring long-term material stability in harsh CO₂-rich environments. This study investigated the degradation behavior of permanent and soft magnetic materials (Alnico 9C, Alnico 5-7C, SmCo 18-T550, Hiperco-50, and coated variants) after up to 6,000 hours of exposure in gaseous CO₂, sCO₂, or air at 450 °C and 550 °C. The evaluation included post-exposure mass change measurements, scanning electron microscopy (SEM) analysis, and magnetic property assessments. The results demonstrate oxidation rates, microstructural evolution, and retention of magnetic performance across conditions. The findings offer essential insights into the thermal corrosion behavior of magnetic materials under CO₂ rich environments and serve as a reference for material selection in AMB system designs.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Quantifying System Strength From Grid-Forming Resources Using Frequency Scan Approach: Preprint

Current industry practices for quantifying the system strength contribution from grid-forming (GFM) resources to ensure stability of power systems dominated by inverter-based resources (IBRs) are primarily based on iterative electromagnetic transient (EMT) time-domain simulation studies. While feasible, these approaches are resource-intensive, lack scalability and intuition, and might not evaluate the system strength contribution over the entire frequency range of interest. This paper introduces a novel, frequency-domain approach to quantify system strength support provided by a GFM resource using frequency scans. The proposed method uses transfer functions from the grid voltage magnitude (V) and phase (?), respectively, to the reactive (Q) and active power (P) output of a GFM resource for quantifying its contribution to system strength. These transfer functions provide a direct measure of the ability of a GFM resource to behave as a stiff voltage source behind a reactance over a specified frequency range, enabling robust quantification of its system strength contribution. The key innovation of this work is the development of a frequency domain system strength metric called the dynamic short-circuit ratio (dSCR) that is suitable for IBR-dominated power systems and is directly related with the familiar short circuit ratio (SCR) metric. The new metric, dSCR, enables the assessment of system strength contributions from both synchronous machines and converter-based GFM resources using a unified benchmark, which is not possible with the traditional SCR metric. The paper also demonstrates how impedance scans could identify if an unstable condition observed during weak grid conditions is a result of the lack active or reactive power support or both. By leveraging the proposed frequency-domain dSCR metric for quantifying system strength contribution from GFM IBRs, the paper demonstrates targeted mitigation strategies for weak grid instabilities without resorting to repeated, time-consuming time-domain simulations. The result is a scalable and efficient approach to remediate stability challenges in power systems with high shares of IBRs and accelerating the integration of GFM technologies for system strength support in power systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Infrared triggered dwell and active cooling thermal control effects on microstructural uniformity in DED

Directed Energy Deposition (DED) offers rapid large scale fabrication, but difficulty in delivering consistent microstructures and properties hinders the use of DED fabricated components in safety or performance critical applications. Variability stems from the complex thermal cycles generated by the toolpath used to print the required geometry. Several practical methods have become established in DED to regulate overheating, such as active cooling of the baseplate structure or the use of an infrared camera to inject interlayer pauses to ensure the top layer of the component cools to a set temperature, which have been shown to affect microstructure. However, no critical assessment has been performed as to how effective these controls are in promoting microstructural uniformity in the context of complex layer timing commonly generated by non-prismatic geometries. Here we show how controls influence the thermal field, phase transformations, and dynamic annealing of a low-temperature transformation steel using infrared imaging and operando neutron diffraction. Counterintuitively, common thermal homogenization process controls can reduce microstructural uniformity because these approaches stabilize peak temperature while overlooking temperatures near the solid-state phase transformation fronts. Instead, the cyclic reheating induces spatially-variant dynamically annealed regions which can be modulated via control parameters. We show that these controls have spatially linked effects centimeters away from the active weld, which implies that microstructure control must co-optimize thermal input across many subsequent layers. In conclusion, our results demonstrate the pressing need for higher order controls that integrate predictive elements of simulation data to stabilize printed properties for future qualification of DED components.

Directed energy deposition↗
DOE OSTI2025

Pavement condition and climatic data in southeast Texas: A dataset for evaluating flood impacts on pavement performance

Effective pavement maintenance is essential for economic stability, optimal network performance, and roadway safety. Achieving this requires thorough evaluation of pavement conditions, including structural integrity, surface roughness, and distress characteristics. Pavement performance indicators play a critical role in influencing vehicle safety and ride quality. Recent advances have emphasized the use of data-driven modeling to anticipate pavement behavior, with the goal of optimizing resource allocation and refining Maintenance and Rehabilitation (M&R) strategies through accurate condition assessment. A foundational requirement for these modeling efforts is the availability of standardized, high-quality datasets that can support robust and reproducible infrastructure analysis. This data article presents a comprehensive dataset assembled to facilitate pavement performance prediction, with a geographic focus on Southeast Texas, particularly the flood-vulnerable area of Beaumont. The dataset encompasses pavement and traffic attributes, meteorological records, flood simulation outputs, ground deformation measurements, and topographic indices, enabling detailed examination of both load-associated and non-load-associated degradation mechanisms. Data preprocessing was performed using ArcGIS Pro, Microsoft Excel, and Python to ensure consistency and usability in data-driven modeling applications, including machine learning workflows. Key contributions of this dataset include its utility in analyzing the climatic and environmental factors affecting pavement conditions, identifying critical predictive features, and enabling in-depth correlation analysis across diverse variables. By filling existing gaps in input variable selection resources, this dataset supports the development of predictive tools for estimating future maintenance demand and enhancing the resilience of pavement networks in flood-impacted areas. The resource highlights the importance of standardized datasets for advancing pavement management practices and provides a robust foundation for ongoing infrastructure performance modeling.

42 ENGINEERING↗
DOE OSTI2021

Optimizing $\mathrm{ACRT}$ to reduce inclusion formation during the $\mathrm{VGF}$ growth of cadmium zinc telluride: II. Application to experiments

Here two different accelerated crucible rotation technique (ACRT) rotation schedules are assessed, via theoretical computations and growth experiments, according to their ability to reduce tellurium-rich inclusions during the vertical gradient freeze (VGF) of cadmium zinc telluride (CZT). A vigorous rotation schedule based on classical ACRT guidelines produces a well-mixed melt that is expected to reduce tellurium inclusions compared to growth without crucible rotation. In contrast, a new ACRT schedule, derived from model-based optimization for interface stability, employs slower rotation with longer periods and is predicted to further reduce inclusions. Growth experiments corroborate these expectations. Namely, both ACRT schedules result in crystals with inclusion size and volume significantly decreased from levels found in material grown with no rotation, and material grown using the computationally optimized ACRT parameters exhibits a median inclusion size that is smaller and with a sharper distribution than in material grown via classical ACRT.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Identifying the Role of Magnesium Content in Assessing the Electrochemical Performance of (CoCuMgNiZn)O

High-entropy oxides (HEOs) featuring 5 or more metals in approximately equimolar ratios, such as the prototypical rock-salt-structured (CoCuMgNiZn)O, have attracted interest for their potential to display material properties superior to oxides with combinations of 4 or fewer of the component metals. In particular, (CoCuMgNiZn)O has shown promise as an anode for lithium-ion batteries with a high specific capacity retention over extended cycling. Previous studies have suggested that magnesium, despite being electrochemically inert, provides a crucial contribution to the favorable performance of this HEO by stabilizing the crystal structure through repeated charge–discharge cycles. This paper probes the extent and mechanism of the magnesium effect by using a facile microwave-assisted hydrothermal synthesis method to vary the level of Mg content. Moreover, we extensively characterized the product with techniques such as 4D-STEM and ICP-OES, which have not previously been applied in combination with this material, in order to elucidate the relationships among chemical composition, nanostructure, and performance. Here, we show that the level of Mg incorporation is positively correlated with long-term stability and negatively correlated with rate capacity, and that the latter effect yields a stronger influence upon the overall performance, with the best-performing sample possessing a Mg quantity equivalent to ∼1/5 that of an equimolar concentration. This finding demonstrates not only that the variation of individual elemental levels offers a promising and relatively unexplored avenue to optimize the electrochemical performance of HEO materials but also that it should not be assumed that equimolar compositions of constituent elements are necessarily the best.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Aluminum addition to AISI 52100 steel: Initial assessment on impact to mechanical properties and tribological performance and pathways for improvement

Here, in the transportation industry, reducing component weight is an effective strategy to improve fuel efficiency and lower emissions. Martensitic AISI 52100 steel is commonly used in drivetrain bearing components due to its high strength and excellent tribological performance. To achieve lightweighting without sacrificing mechanical properties and tribological behavior, this study explored the 52100 steel alloy modified by introducing nominally 5 wt% aluminum. The addition of aluminum led to an approximately 6% density reduction, however, it resulted in reduced hardness, strength and wear resistance, in part due to stabilization of a substantial amount of ferrite, as suggested by microstructural examination. Introducing 0.15 wt% additional carbon reduced the ferrite and demonstrated feasibility of mitigating the mechanical and tribological degradation caused by aluminum. This case study provides fundamental insights into the balance between lightweighting and mechanical/tribological performance for steel alloys, serving as a reference for further development of lightweight bearing steels.

Aluminum addition↗
DOE OSTI2025

Assessing Edge Localized Mode (ELM) Mitigation by Pellet Triggering in Smallest-Possible Affordable Robust Compact (SPARC) Low-Collisionality Discharges

Simulations of pellet edge-localized mode (ELM) triggering with the M3D-C1 code confirmed experimentally observed pellet mass thresholds in low-collisionality DIII-D discharges and predicted extremely large thresholds in ITER [A. Wingen et al, Nucl. Fusion 64, 066015(2024)]. The linear (static) and nonlinear (dynamic) workflows developed in this previous work are now applied to the SPARC tokamak. Multiple synthetic equilibria for the high-performance H-mode scenario are tested for MHD stability without pellets using the linear workflow and ELITE simulations; a stable one is identified. Pellets of various mass are injected along an inboard, near-midplane trajectory in the M3D-C1 simulation. No pellet mass threshold for ELM triggering can be found for realistic pellet masses, concluding that fueling from this injection location would not trigger ELMs. A poloidal scan of possible injection locations shows very high thresholds on the high-field side and reasonable thresholds on the low-field-side (LFS). Based on results of this work the location for a LFS injection was finalized in the SPARC design. For this LFS injection the pellet mass threshold is determined using the linear workflow, aligning well with the poloidal scan.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Progress in Understanding the Origins of Excellent Corrosion Resistance in Metallic Alloys: From Binary Polycrystalline Alloys to Metallic Glasses and High Entropy Alloys

Some of the factors responsible for good corrosion resistance of select polycrystalline and emerging alloys in chloride solutions are discussed with a goal of providing some perspectives on the current status and future directions. Traditional metallic glass alloys, single phase high entropy alloys (HEAs), early metallic glasses, and high entropy metallic glasses are all emerging corrosion-resistant alloys (CRAs) that utilize traditional strategies for improved corrosion resistance as well as take advantage of some other novel beneficial attributes. These materials enjoy many degrees of freedom as far as choice of both composition and structure, providing great flexibility in the pursuit of superior corrosion resistance. The new materials depart from classical solvent-solute type polycrystalline binary or ternary alloys. Thus, such emerging materials provide significant opportunities to achieve even greater improvements in corrosion resistance in harsh environments. Several examples of the unique corrosion properties of selected materials in the context of modern theories of corrosion are discussed herein. Discussion is restricted to solid-solution binary or ternary polycrystalline alloys, several metallic glass alloys, and single phase HEAs. A common feature of many CRAs is that composition and microstructure often affect both passivity and resistance to localized corrosion that can be divided into initiation, stabilization, and propagation stages. Enormous complexities in protective oxide structures and chemistries and the large number of combinatorial possibilities in newer materials such as HEAs preclude trial-and-error approaches and perhaps even combinatorial experimental design. Computational materials methodologies will be required in the search for new corrosion-resistant alloys in these material classes. The search must consider the best scientific insights available regarding how major and minor alloy additions, as well as various microstructural attributes, contribute to corrosion mitigation. Additional scientific insights, as they emerge, will enable choices beyond the reliance on high concentrations of alloying elements that are known to affect passivity breakdown and pit stabilization. A challenge is to connect the “basic attributes” of an alloy with its properties. The strength of this connection will likely require new scientific principles enabling deep multiphysics insights in order to link feature(s) such as composition and metallurgical phases to the desired corrosion properties. Application of data informatics will likely also play a role given the plethora of variables that are important in corrosion and the difficulty in assessing all relationships. Here, the opportunity exists to accelerate the design of emerging materials for high corrosion resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Analysis of the Impurity MgOHCl in Molten Chloride Salts Toward its Electrochemical Removal from CSP Plants During Operation

The work presented here is a study of the impurity MgOHCl in molten chloride salts, toward the eventual goal of electrochemically removing it from operational molten-chloride-based concentrating solar power (CSP) plants.1,2 Implementation of molten chloride salts as a heat transfer fluid is among the most promising pathways for decreasing the levelized cost of energy (LCOE) of CSP systems because its high thermal stability allows higher operating temperatures, and thus, greater efficiency. However, this impurity - formed when MgCl2 salts are exposed to air and moisture - cause significant corrosion of containment alloys.1 Therefore, we have developed and validated in a laboratory setting: 1) a method for the formation of MgOHCl for controlled impurity spike in molten salt for its further sensing, evaluation, and reduction; 2) evaluated its diffusion in the molten salt, and 3) began assessing its electrochemical properties. Our findings allow us to propose solutions for efficiently and instantly removing MgOHCl from an operational CSP plant.

concentrated solar power↗
DOE OSTI2022

Ontario International Airport Fleet Electrification Blueprint: Zero-Emission Vehicle Technology Assessment for Energy Optimization [Slides]

Ontario International Airport Authority (OIAA)'s Electric Vehicle (EV) Blueprint project presentation focuses on the possibilities for fleet electrification, including medium heavy duty charging and hydrogen refueling and their associated planning, infrastructure, operation, and maintenance options. This report includes detailed list of available electric ground support equipment (GSE), description of NREL tools for EV infrastructure design and optimization, and analyses of the current fleet and the potential grid impacts of electrification. Key recommendations are made in regard to simulation-based and in-depth system analyses to identify optimal charging infrastructure and long-term grid stability, and to ensure that the selected station architecture will provide enough space and capacity for future expansion and resiliency.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Divergent accumulation of amino sugars and lignins mediated by soil functional carbon pools under tropical forest conversion

Tropical primary forests are being destroyed at an alarming rate and converted for other land uses which is expected to greatly influence soil carbon (C) cycling. However, our understanding of how tropical forest conversions affect the accumulation of compounds in soil functional C pools remains unclear. Here, we collected soils from primary forests (PF), secondary forests (SF), oil-palm (OP), and rubber plantations (RP), and assessed the accumulation of plant- and microbial-derived compounds within soil organic carbon (SOC), particulate (POC) and mineral-associated (MAOC) organic C. PF conversion to RP greatly decreased SOC, POC, and MAOC concentrations, whereas conversion to SF increased POC concentrations and decreased MAOC concentrations, and conversion to OP only increased POC concentrations. PF conversion to RP decreased lignin concentrations and increased amino sugar concentrations in SOC pools which increased the stability of SOC, whereas conversion to SF only increased the lignin concentrations in POC, and conversion to OP just increased lignin concentrations in POC and decreased it in MAOC. We observed divergent dynamics of amino sugars (decrease) and lignin (increase) in SOC with increasing SOC. Only lignin concentrations increased in POC with increasing POC and amino sugars concentrations decreased in MAOC with increasing MAOC. Conversion to RP significantly decreased soil enzyme activities and microbial biomasses. Lignin accumulation was associated with microbial properties, whereas amino sugar accumulation was mainly associated with soil nutrients and stoichiometries. These results suggest that the divergent accumulation of plant- and microbial-derived C in SOC was delivered by the distribution and original composition of functional C pools under forest conversions. Forest conversions changed the formation and stabilization processes of SOC in the long run which was associated with converted plantations and management. As a result, the important roles of soil nutrients and stoichiometry also provide a natural-based solution to enhance SOC sequestration via nutrient management in tropical forests.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Populus MYC2 orchestrates root transcriptional reprogramming of defence pathway to impair Laccaria bicolor ectomycorrhizal development

Summary The jasmonic acid (JA) signalling pathway plays an important role in the establishment of the ectomycorrhizal symbiosis. The Laccaria bicolor effector MiSSP7 stabilizes JA corepressor JAZ6, thereby inhibiting the activity of Populus MYC2 transcription factors. Although the role of MYC2 in orchestrating plant defences against pathogens is well established, its exact contribution to ECM symbiosis remains unclear. This information is crucial for understanding the balance between plant immunity and symbiotic relationships. Transgenic poplars overexpressing or silencing for the two paralogues of MYC2 transcription factor (MYC2s) were produced, and their ability to establish ectomycorrhiza was assessed. Transcriptomics and DNA affinity purification sequencing were performed. MYC2s overexpression led to a decrease in fungal colonization, whereas its silencing increased it. The enrichment of terpene synthase genes in the MYC2‐regulated gene set suggests a complex interplay between the host monoterpenes and fungal growth. Several root monoterpenes have been identified as inhibitors of fungal growth and ECM symbiosis. Our results highlight the significance of poplar MYC2s and terpenes in mutualistic symbiosis by controlling root fungal colonization. We identified poplar genes which direct or indirect control by MYC2 is required for ECM establishment. These findings deepen our understanding of the molecular mechanisms underlying ECM symbiosis.

Marqués‐Gálvez, José Eduardo↗
DOE OSTI2020

Preservation of Microalgae, Lignocellulosic Biomass Blends by Ensiling to Enable Consistent Year-Round Feedstock Supply for Thermochemical Conversion to Biofuels

Seasonal variation in microalgae productivity is a significant barrier to economical production of algae biofuels and chemicals. Summer production can be 3–5 times higher than in the winter resulting in uneven feedstock supplies at algae biorefineries. A portion of the summer production must be preserved for conversion in the winter in order to maintain a biorefinery running at capacity. Ensiling, a preservation process that utilizes lactic acid fermentation to limit microbial degradation, has been demonstrated to successfully stabilize algae biomass (20% solids) and algae-lignocellulosic blends (40% algae-60% lignocellulosic biomass, dry basis) for over 6 months, resulting in fuel production cost savings with fewer emissions. Preservation of algae as blends could be beneficial to biorefineries that utilize thermochemical approaches to fuel production as co-processing of algae and lignocellulosic biomass has been observed to enhance biocrude yield and improve oil quality. This study conducts a resource assessment of biomass residues in the southern United States to identify materials available during peak algae productivity and in sufficient quantity to meet the algae storage needs of an algae biofuel industry. Eight feedstocks met the quantity threshold but only three, distillers grains, haylage, and yard waste, were also available in season. Storage experiments utilizing both freshwater and marine strains of microalgae – Scenedesmus acutus, Chlorella vulgaris, Chlorella zofingiensis, Nannochloropsis gaditana, and Porphyridium purpureum – and yard waste were conducted for 30 days. Storage losses were less than 10% in all but one case, and the pH of all but one blend was reduced to less than 4.7, indicating that yard waste is a suitable feedstock for blending with algae prior to storage. To better understand whether the benefits to conversion realized by processing blends might be affected by storage, elemental analysis and bomb calorimetry of pre- and post-storage algae-yard waste blends were conducted to characterize changes occurring during storage. Storing algae biomass as blends with lignocellulosic biomass could be an effective method of mitigating seasonal variability in algae biomass production while retaining the synergistic effect of co-processing algae blends in thermochemical conversion.

09 BIOMASS FUELS↗
DOE OSTI2023

Validation of turbulence intensity as simulated by the Weather Research and Forecasting model off the US northeast coast

We report turbulence intensity (TI) is often used to quantify the strength of turbulence in wind energy applications and serves as the basis of standards in wind turbine design. Thus, accurately characterizing the spatiotemporal variability in TI should lead to improved predictions of power production. Nevertheless, turbulence measurements over the ocean are far less prevalent than over land due to challenges in instrumental deployment, maintenance, and operation. Atmospheric models such as mesoscale (weather prediction) and large-eddy simulation (LES) models are commonly used in the wind energy industry to assess the spatial variability of a given site. However, the TI derivation from atmospheric models has not been well examined. An algorithm is proposed in this study to realize online calculation of TI in the Weather Research and Forecasting (WRF) model. Simulated TI is divided into two components depending on scale, including sub-grid (parameterized based on turbulence kinetic energy (TKE)) and grid resolved. The sensitivity of sea surface temperature (SST) on simulated TI is also tested. An assessment is performed by using observations collected during a field campaign conducted from February to June 2020 near the Woods Hole Oceanographic Institution Martha's Vineyard Coastal Observatory. Results show that while simulated TKE is generally smaller than the lidar-observed value, wind speed bias is usually small. Overall, this leads to a slight underestimation in sub-grid-scale estimated TI. Improved SST representation subsequently reduces model biases in atmospheric stability as well as wind speed and sub-grid TI near the hub height. Large TI events in conjunction with mesoscale weather systems observed during the studied period pose a challenge to accurately estimating TI from models. Due to notable uncertainty in accurately simulating those events, this suggests summing up sub-grid and resolved TI may not be an ideal solution. Efforts in further improving skills in simulating mesoscale flow and cloud systems are necessary as the next steps.

17 WIND ENERGY↗
DOE OSTI2022

Cantor-derived medium-entropy alloys: bridging the gap between traditional metallic and high-entropy alloys

The year 2004 marked the beginning of a new era in the design of metallic materials, as the concept of multiple principal component alloys, commonly known as High-Entropy Alloys (HEAs), was proposed by Cantor and Yeh. The unexpected single-phase microstructure, instead of the expected brittle intermetallic compounds, was attributed to the large entropy of mixing and immediately caught the attention of the scientific community. Today, HEAs are considered important advanced materials and a broad range of alloys using nominally the same design principle have been investigated. Despite that, the CrMnFeCoNi (Cantor) alloy stands out as the most successful HEA due to its outstanding mechanical properties and microstructure. In this scenario, variants of the Cantor alloy, named medium-entropy alloys (MEAs), are gaining significant interest as they display a better industrial potential than both HEAs and traditional alloys. These variants of the Cantor alloy with only three or four main elements result in 15 possible combinations. The microstructure of these alloys is discussed in terms of advanced characterization as well as thermodynamic parameters and computational simulation. Their phase stability is addressed over a wide range of temperatures and strain rates. The mechanical properties, especially the fracture toughness, of the CrFeCoNi and CrCoNi alloys have been reported to be even superior to those of the Cantor alloy and most modern engineering alloys. This is associated with the formation of a continuous sequence of strengthening mechanisms, including hierarchical twin networks, which serve to prolong the strain hardening. The present article reviews and critically assesses, for the first time, recent advances in these Cantor-derived MEAs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Fast Na diffusion and anharmonic phonon dynamics in superionic Na 3 PS 4

The design of new solid electrolytes (SEs) hinges on identifying and tuning relevant descriptors. Phonons describe the atomic dynamics in crystalline materials and provide a basis to encode possible minimum energy pathways for ion migration, but anharmonic effects can be large in SEs. Identifying and controlling the pertinent phonon modes coupled most strongly with ionic conductivity, and assessing the role of anharmonicity, could therefore pave the way for discovering and designing new SEs via phonon engineering. In this work, we investigate phonons in Na 3 PS 4 and their coupling to fast Na diffusion, using a combination of neutron scattering, ab initio molecular dynamics (AIMD), and extended molecular dynamics based on machine-learned potentials. We identify that anharmonic soft-modes at the Brillouin zone boundary of the anharmonically stabilized cubic phase constitute key phonon modes that control the Na diffusion process in Na 3 PS 4 . We demonstrate how these strongly anharmonic phonon modes enable Na-ions to hop along the minimum energy pathways. Further, the quasi-elastic neutron scattering (QENS) measurements, supplemented with ab initio and machine-learned molecular dynamics simulations, probe the Na diffusivity and diffusion mechanism. These results offer detailed microscopic insights into the dynamic mechanism of fast Na diffusion and provide an avenue to search for further Na solid electrolytes.

42 ENGINEERING↗
DOE OSTI2022

Electrochemical CO2 conversion to formic acid through the Andora Process

Electrochemical utilization or conversion of CO2 can be used to convert waste CO2 into targeted high-value and cost-effective commercial products. Conventional processes for CO2 conversion to fuel sources are challenging and expensive due to their requirement for high temperatures and pressures. Electrochemically, a catalyst can be used at a fixed applied potential to reduce CO2 to form a desired product with less competition at modest operating conditions. Formic acid (FA) has recently become a product of interest for CO2 conversion due to its potential for hydrogen storage and fuel cell applications. Electrochemically, FA is produced through a direct two-electron transfer process involving CO2 with a proton source, requiring less energy input and fewer reaction steps than traditional processes. However, there remain significant obstacles for the broader-scale implementation of CO2 on the market, including competition with unwanted CO and H, the presence of molecular oxygen, and stability of the electrocatalyst. In order to overcome some of these challenges, a new continuous flow Andora Process was developed consisting of two separate cells to decouple electrochemical reduction of the charge carrier with the FA production via an engineered catalyst. Recent experimental results show that with appropriate design changes and operating conditions to the flow system, FA production above 500 mM can be achieved along with efficiencies above 80%. TEA and LCA assessments of the Andora Process show a potential for the reduction in the GWP potential and cost saving compared to the current comparative formic acid production process.

60 APPLIED LIFE SCIENCES↗