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DOE OSTI2021

Solvent Impregnated Polymers Loaded with Liquid-Like Nanoparticle Organic Hybrid Materials for Enhanced Kinetics of Direct Air Capture and Point Source CO 2 Capture

Hybrid CO 2 capture materials, solvent impregnated polymers (SIPs), are developed based on a simple and scalable encapsulation technique to enhance CO 2 capture kinetics of water-lean solvents with high viscosity. Liquid-like nanoparticle organic hybrid materials functionalized with polyethylenimine (NOHM-I-PEI) are incorporated into a shell material and UV-cured to produce gas-permeable solid sorbents with uniform NOHMs loading (NPEI-SIPs). The CO 2 capture kinetics of NPEI-SIPs show a remarkable 50-fold increase compared to that of neat NOHM-I-PEI due to a large increase in the NOHMs-CO 2 interfacial surface area provided by the SIP design. The optimum NOHM-I-PEI loading and sorption temperature are found to be ≈49 wt% and 50 °C, respectively, and NPEI-SIPs exhibit great thermal stability over 20 CO 2 capture/sorbent regeneration temperature swing cycles. The pseudoequilibrium CO 2 loadings of NPEI-SIPs under humid conditions are as high as 3.1 mmol CO 2 g -1 NPEI - SIPs for 15 vol% CO 2 (postcombustion capture) and 1.7 mmol CO 2 g -1 NPEI - SIPs for 400 ppm (direct air capture). Overall, these findings suggest that NPEI-SIPs can effectively capture CO 2 from a wide range of CO 2 concentrations including direct air capture while allowing the flexible design of CO 2 capture reactors by combining the benefits of liquid solvents and solid sorbents.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Flexible Nuclear-Based Integrated Energy System

Presentation on a conceptual study of combining a small modular nuclear reactor (SMR) with a solid oxide fuel cell, solid oxide electrolysis cell, and a gas turbine as an integrated energy system with high operational flexibility and rapid load following. Virtually presented at the MILLENNIUM CLEAN and SUSTAINABLE POWER workshop 2025, University of Genoa, Italy.

flexibility↗

DOE OSTI2020

Geochemistry and Microbiology Predict Environmental Niches with Conditions Favoring Potential Microbial Activity in the Bakken Shale

The Bakken Shale and underlying Three Forks Formation is an important oil and gas reservoir in the United States. The hydrocarbon resources in this region are accessible using unconventional oil and gas extraction methods, including horizontal drilling and hydraulic fracturing. However, the geochemistry and microbiology of this region are not well understood, although they are known to have major implications for productivity and water management. In this study, we analyzed the produced water from 14 unconventional wells in the Bakken Shale using geochemical measurements, quantitative PCR (qPCR), and 16S rRNA gene sequencing with the overall goal of understanding the complex dynamics present in hydraulically fractured wells. Bakken Shale produced waters from this study exhibit high measurements of total dissolved solids (TDS). These conditions inhibit microbial growth, such that all samples had low microbial loads except for one sample (well 11), which had higher 16S rRNA gene copies. Our produced water samples had elevated chloride concentrations typical of other Bakken waters. However, they also contained a sulfate concentration trend that suggested higher occurrence of sulfate reduction, especially in wells 11 and 18. The unique geochemistry and microbial loads recorded for wells 11 and 18 suggest that the heterogeneous nature of the producing formation can provide environmental niches with conditions conducive for microbial growth. This was supported by strong correlations between the produced water microbial community and the associated geochemical parameters including sodium, chloride, and sulfate concentrations. The produced water microbial community was dominated by 19 bacterial families, all of which have previously been associated with hydrocarbon-reservoirs. These families include Halanaerobiaceae, Pseudomonadaceae, and Desulfohalobiaceae which are often associated with thiosulfate reduction, biofilm production, and sulfate reduction, respectively. Notably, well 11 was dominated by sulfate reducers. Our findings expand the current understanding of microbial life in oil and gas related environments, provide new insights into how the unique produced water conditions shape microbial communities, and demonstrate thatproduced water chemistry is tightly linked with microbiota in the Bakken Shale. Finally, our study shows that additional research efforts are necessary to understand this ecosystem and highlights the need for work in other unconventional reservoirs.

Tinker, Kara↗

DOE OSTI2026

Submodule-Level Decentralized Control for Cascaded Quadruple Active Bridge-Based Medium-Voltage Converters

High-power, low-voltage DC (LVDC) loads, such as AI data centers, electric vehicle fast-charging hubs, and hydrogen electrolyzers, are accelerating the deployment of solid-state transformers (SSTs) that directly interface medium-voltage AC (MVAC) to LVDC, streamlining power delivery. This paper proposes a submodule-level decentralized control strategy for an SST comprising a cascaded H-bridge (CHB) active rectifier on the MVAC side and per-module quadruple-active-bridge (QAB) converters on the LVDC side with local controllers. The proposed strategy eliminates the need for high-fidelity, real-time cross-isolation communication by synchronizing all active bridges to a common heartbeat signal and enabling the primary- and secondary-side controllers to generate independent local control signals (phase shifts). The resultant phase shifts naturally govern average and double-line frequency power transfer between active bridges, enabling each side to meet its control objectives using only local measurements. Detailed controller design considerations are presented based on a stability analysis. Comprehensive electromagnetic-transient simulations demonstrate tight DC-link voltage regulation, high-quality grid currents, and robust operation under load transients and grid disturbances, without real-time communication among the submodule controllers. These results indicate that the proposed scheme can significantly enhance the reliability, scalability, and flexibility of cascaded bridge-based medium-voltage converters.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Submodule-Level Decentralized Control for Cascaded Quadruple Active Bridge-Based Medium-Voltage Converters: Preprint

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Upcycling Low Linear Density Polyethylene Waste into Turbostratic Graphene for High Mass Loading Supercapacitors

In this work, LLDPE was upcycled into a high quality turbostratic graphene using a pre-treatment step to oxidatively crosslink the polymer with the assistance of solid additives (KCl and K2CO3) that improve crosslinking by increasing the effective surface area of the polymer melt during processing. After this pretreatment step, the crosslinked polymer could then be carbonized and catalytically graphenized between 400-950 °C without complete decomposition of the material. The LLDPE derived graphene (LLDPE-G) obtained from this process has a Brunauer–Emmett–Teller (BET) specific surface area, up to 1800 m2g-1 and average Raman ID/IG and I2D/IG ratios of 0.85 and 0.57, respectively, indicating high quality graphene. When used as an electrode material in symmetric supercapacitors, LLDPE-G possesses an outstanding specific capacitance up to 175 Fg-1 at a mass loading of 20 mgcm-2, which is two times the commercial requirement, yielding an excellent areal capacitance of 3.5 Fcm-2. Moreover, LLDPE-G exhibits exceptional cycling stability with a capacitance retention of 95.8% after 100,000 cycles at a current density of 4.0 Ag-1. Additionally, the KCl and K2CO3 were recycled and reused over 3 complete cycles to make new LLDPE-G with the material quality and electrocapacitive performance retained and verified after each cycle. Our approach creates new opportunities for upcycling not only waste LLDPE but also other varieties of PE to high value graphene materials.

Gao, Yuan [NETL Site Support Contractor, National ↗

DOE OSTI2023

Particle Size Optimization of Thermochemical Salt Hydrates for High Energy Density Thermal Storage

Thermal energy storage (TES) solutions offer opportunities to reduce energy consumption, greenhouse gas emissions, and cost. Specifically, they can help reduce the peak load and address the intermittency of renewable energy sources by time shifting the load, which are critical toward zero energy buildings. Thermochemical materials (TCMs) as a class of TES undergo a solid–gas reversible chemical reaction with water vapor to store and release energy with high storage capacities (600 kWh m −3 ) and negligible self‐discharge that makes them uniquely suited as compact, stand‐alone units for daily or seasonal storage. However, TCMs suffer from instabilities at the material (salt particles) and reactor level (packed beds of salt), resulting in poor multi‐cycle efficiency and high‐levelized cost of storage. In this study, a model is developed to predict the pulverization limit or R crit of various salt hydrates during thermal cycling. This is critical as it provides design rules to make mechanically stable TCM composites as well as enables the use of more energy‐efficient manufacturing process (solid‐state mixing) to make the composites. The model is experimentally validated on multiple TCM salt hydrates with different water content, and effect of R crit on hydration and dehydration kinetics is also investigated.

25 ENERGY STORAGE↗

DOE OSTI2021

Avoiding surface instability and slurry jamming in simultaneous multilayer coating of structured particulate films

Simultaneous multilayer coating techniques are widely known, but their industrial application remains limited to narrow market sectors. One barrier to adoption may be the mismatch between industries that are familiar with such processes but have no need, and industries that have need but are not familiar. Moreover, there are application-specific technical challenges to developing multilayer-coating processes. In this article, we describe our resolution of two specific issues in simultaneous multilayer coating of all aqueous highly loaded slurries for new and emerging energy applications. The first issue is particle jamming (associated with Shear-thickening) of the highly loaded slurries in the die internals, which we alleviated by adding small amounts of viscosity modifiers without reducing the solid loading. The second issue is a Marangoni-driven surface instability that resembles top layer de-wetting, which we solved by carefully selecting surfactants to tune the dynamic surface tensions of each slurry. Both issues were resolved early in a step-wise development, saving significant development cost which in our case was driven by expensive materials.

08 HYDROGEN↗

DOE OSTI2024

Kinetics of HCP-BCC Phase Transition Boundary in Magnesium at High Pressure

Under high pressures, many crystalline metals undergo solid–solid phase transformations. In order to accurately model the behavior of materials under extreme loading conditions, it is essential to understand the kinetics of phase transition. Using molecular dynamics simulations, this work demonstrates the feasibility of characterizing the speeds of a moving phase boundary using atomistic simulations employing a suitable empirical potential for single-crystal magnesium. The model can provide temperature- and tensorial stress-dependent velocity of a moving phase boundary as a rate-limiting contribution to the kinetics of phase transformation in continuum codes. Results demonstrate that a nonlinear interaction exists between plasticity and phase transition, facilitating a jump in the velocity of a moving phase boundary, facilitated by activated plastic deformation mechanisms.

36 MATERIALS SCIENCE↗

DOE OSTI2025

DEVELOPMENT OF INEXPENSIVE HIGH TEMPERATURE NITI-BASED SHAPE MEMORY ALLOYS FOR POWDER BED ADDITIVE MANUFACTURING

NiTi and NiTi-based Shape Memory Alloys (SMA) exhibit a reversible solid-state phase transformation from martensite to austenite driven by thermal energy. High temperature (Mf>100°C) SMAs are martensite at room temperature and can be fabricated into solid-state actuators that return to a pre-programmed shape against a designed load after heating to transformation threshold. Reactive as-fabricated additively manufactured parts (4-D printing) is the current state of the art in manufacturing of SMAs but requires compositions compliant to rapid solidification. Existing actuator designs are developed from commercially available, highly investigated material compositions. However, existing high temperature high performance (high actuation strain, low thermal hysteresis) shape memory alloys contain significant (>10% at.) portions of high-cost Platinum Group Metals (PGMs). It is of significant scientific interest to investigate material compositions that are peer performing or superior to PGMs whose constituent elements represent a significant cost savings. Shape memory alloy properties vary significantly with small (0.1% at.) compositional changes making robust investigative sample sets very large. Computational material design can be deployed to shrink the compositional space of possible alloy combinations and reduce the experimental load in material discovery. Investigating shape memory effect (SME) and validating process additive process parameters for a single novel composition is cost intensive in both time and consumed materials. Additionally, sub-optimal processing, oxygen, or solidification rate sensitivity could render additively manufacturing specimens without micro, macro cracks, or significant chemical variance impossible. Unfortunately, such failure susceptibility cannot be simulated. Therefore, a research pathway to validate novel shape memory alloy compositions for powder bed fusion additive manufacturing without the need for powdered feedstock is also proposed. This research investigates novel high temperature shape memory alloys for actuators without platinum group alloying elements to discover one that could be commercially viable as an additive manufacturing feedstock.

Sundermann, Tayler↗

DOE OSTI2021

RG217 V2-V2 Coaxial Cable Acceptance Test

The ECSE Solid State Pulsed Power unit is a high current, high power solid-state pulse modulator. The RG217 V2-V2 Coaxial Cable Assembly is the interface cable between the Solid State Pulser and the load. This document covers the testing procedure for the RG217 V2-V2 Coaxial Cable Assembly. This assembly is comprised of RG217 Coaxial Cable with a LRU Connector on either end. This test procedure verifies the cable is undamaged and assembled correctly, the correct cable connectors are installed properly onto the cable, and that the entire assembly meets conductivity and holdoff voltage requirements. This procedure will verify that the RG217 Coaxial Cable Assembly meets all assembly and functional requirements. In particular, this procedure verifies the Cable Shield and Center Conductor meet conductivity requirements by testing their resistances. Additionally, this procedure ensures the RG217 Coaxial Cable Assembly meets holdoff voltage requirements by applying high voltage and verifying the RG217 Coaxial Cable Assembly does not experience any breakdowns or arcing.

42 ENGINEERING↗

DOE OSTI2021

An Investigation into High Voltage Spiral Generators Utilizing Thyristor Input Switches

High voltage nanosecond pulses are widely used in scientific research, but their wider adoption in industry requires compact, cost effective and easy to use generators to be developed. This paper presents modelling and experimental investigations into one method of producing such pulses – a spiral generator with a solid-state, thyristor-based input switch. It includes how the pulses are formed within the spiral, why a high speed input switch is required, how the geometry of the spiral dictates its output characteristics, and the effects of different loads. Using thyristors, often connected in series to increase the operating voltage of the spiral, enables the spiral generators to have low jitter, high repetition rate, and long lifetime. Modelling of the circuit used a combination of telegraph equations to account for the wave propagation along the spiral and a lumped circuit exchanging charge between the spiral, the input switch, and the load. The model is verified by detailed experimental results with the relative error being < 10% in most cases. Here, the output voltage pulse was often observed to have an initial peak of much lower magnitude than the subsequent peak(s) – which can only be fully explained by considering wave propagation effects. Lower input switch inductance, shorter switching time, larger mean diameter of the spiral, and increasing the width of the copper tape that makes up the spiral can all increase the voltage multiplication efficiency. Though increasing the number of turns that make up the spiral can increase the output voltage, it can also lower the multiplication efficiency. By understanding the effects of different geometries the spiral can be optimized to drive different loads - three applications of such spiral generators are then presented: pulses with 10 kV amplitude and 10 kHz repetition rate for driving DBD plasma, pulses with amplitude of 10 kV and 10 kV/ns rising rate for triggering of advanced solid state switches, and pulses with -50 kV amplitude and 50 ns rising time for triggering high current gas switches through field distortion.1 Index Terms—spiral generator, nanosecond pulses, telegraph equations, series-connected thyristor module, pulse forming process

42 ENGINEERING↗

DOE OSTI2024

Liquid metal walls

Here, the plasma performance of fusion devices depends strongly on the chosen wall materials. Solid plasma-facing components (PFCs) are predominantly used in present devices, and are the most investigated candidates for fusion designs. High-Z materials such as tungsten (W) are the leading solid PFC material candidates. To date, a material choice that scales to steady-state reactor conditions has not been identified. Moreover, if plasma transient events such as edge-localized modes and disruptions cannot be altogether avoided or sufficiently mitigated, the projected peak heat and particle loads far exceed the power exhaust capabilities of solids. Liquid metal (LM) PFCs represent an intrinsic self-healing boundary that are both resilient to surface damage from transients, and that could handle high steady-state heat and particle fluxes. Flowing LM PFCs can be designed to remove “slag,” the buildup of material erosion due to plasma-material interactions, including charge exchange sputtering in the main chamber. Further, LM offer the prospect to manage hydrogenic species otherwise retained in the PFCs, which is important from a safety and inventory standpoint. The two most promising LMs are lithium (Li) and tin (Sn), although Sn–Li eutectics may be considered. While Sn offers a higher temperature window with low vapor pressure and low hydrogen retention, Li offers the prospect of enhanced energy confinement and higher acceptable core contamination limits, and this section focuses on Li PFCs. An LM PFC development research program developed LM PFC concepts for a nuclear fusion device via engineering design calculations, single-effect experiments, and staged prototypical experiments. A self-consistent design window was identified with liquid Li flow speeds ~5–10 m/s; plasma contamination was negligible for predicted Li evolution rates. While these preconceptual designs hold promise, there is substantial R&D needed to advance the technical readiness levels of LM PFCs for application to fusion power plants.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

MXene/graphene oxide nanocomposites for friction and wear reduction of rough steel surfaces

Development of solid lubricant materials that render reliable performance in ambient conditions, are amenable to industrial size and design complexities, and work on engineered surfaces is reported. These coatings are composed of Ti 3 C 2 T x -Graphene Oxide blends, spray-coated onto bearing steel surfaces. The tribological assessment was carried out in ambient environmental conditions and high contact pressures in a ball-on-disc experimental set-up. The evaluation yielded that the use of Ti 3 C 2 T x -Graphene-Oxide coatings led to substantial reduction in friction down to 0.065 (at 1 GPa contact pressure and 100 mm/s) in comparison to the uncoated of single-component-coated surfaces, surpassing the state-of-the-art. The coatings also provided excellent protection against wear loss of the substrate and counter-face. The results were explained based on the observations from Raman spectroscopy, scanning electron microscopy, transmission electron microscopy, and nanoindentation measurements. In operando formation of a dense, hard and stiff, dangling-bond-saturated tribolayer was observed to be the reason for the sustained lubricity even at high test loads and sliding speeds. This report presents the holistic exploration and correlation of structure-property-processing pertaining to the advancement of solid lubrication science.

36 MATERIALS SCIENCE↗

DOE OSTI2025

In-Field Testing of Components for Feedback and Control of the ITER Disruption Mitigation System

Here, the shattered pellet injection (SPI) method has been chosen as the disruption mitigation system (DMS) for ITER. To protect the device from plasma disruptions that cause damaging heat and electromagnetic loads, SPI is used to inject high-Z material into the plasma. The process of SPI utilizes cryogenic cooling to form solid pellets. Pellets are accelerated down a barrel and into an angled surface, causing the pellet to shatter prior to entering the tokamak chamber. For the DMS to function reliably, the 27 separate shattered pellet injectors planned for ITER must rely on many components to provide accurate feedback data and for control functions. Each component in the DMS is exposed to an elevated background magnetic field depending on its placement and proximity to the plasma chamber. A Helmholtz coil test stand that is operated at Oak Ridge National Laboratory was utilized to test the components in relevant background field levels to assess component performance. This paper details the test design and results for in-field component operation for a variety of components. This list includes the following components: two different network switches for camera connectivity, a VAT fast shutter valve intended to reduce the flow of SPI propellant gas into the torus, a solenoid control valve intended for use in the pellet formation process, pressure/vacuum switches to be used for feedback and control, a printed circuit board piezo pressure sensor to be used to measure breech pressure, and various relays for the high-voltage pulsed power supply used to drive the SPI propellant valve.

Disruption mitigation↗

DOE OSTI2024

Technoeconomic Analysis of Discrete and Unitized Reversible Fuel Cells for Energy Storage Applications

Reversible Fuel Cell (RFC) systems offer promising characteristics for stationary long duration energy storage applications. Two main configurations of RFC systems exist: discrete RFC systems and unitized RFC systems. While discrete RFC systems combine independent fuel cell and electrolyzer systems for energy storage, unitized RFC systems utilize a single electrochemical stack and might share balance of plant (BOP) components for both charging and discharging processes. While this configuration reduces upfront capital costs, challenges of unitized RFC designs include potential performance trade-offs due to dual-mode stack design and operational complexities across varying loads and operating conditions. Furthermore, these tradeoffs might be different for low-temperature PEM RFCs than for high-temperature reversible solid oxide cell systems. The goal of this project is to assess unitized RFC system potential in the context of long duration grid energy storage and HFTO's technical targets for different discrete fuel cell and electrolyzer technologies. This presentation presents preliminary review of state-of-the-art unitized RFC cells and assesses how they perform relative to HFTO's technical targets. It also presents literature-derived system configurations worth investigating. This review indicates that lab-scale unitized RFCs are making good progress towards meeting HFTO's technical targets.

HYDROGEN↗

DOE OSTI2022

Editors’ Choice—Methods—Pressure Control Apparatus for Lithium Metal Batteries

Lithium (Li) metal anodes are essential for developing next-generation high-energy-density batteries. However, Li dendrite/whisker formation caused short-circuiting issue and short cycle life have prevented lithium metal from being viably used in rechargeable batteries. Numerous works have been done to study how to regulate the Li growth in electrochemical cycling by using external stacking forces. While it is widely agreed that stack pressure positively affects the lithium plating/stripping process, the optimized pressure range provided by different works varies greatly because of the difference in the pressure control setup. In this work, a pressure control apparatus is designed for Li metal batteries with liquid and solid-state electrolytes (SSE). With considerations of minimizing cell to cell variation, a reusable split cell and pressure load cell are made for testing electrochemical cells with high precision pressure control. The capability of the designed setup is demonstrated by studying the pressure effect on the Li plating/stripping process.

25 ENERGY STORAGE↗

DOE OSTI2022

Effect of loading path on grain misorientation and geometrically necessary dislocation density in polycrystalline aluminum under reciprocating shear

Solid phase processing (SPP) is a promising alloy fabrication technique to produce fine and homogeneous grain structures for high-performance alloys. However, there is very limited modeling capability to understand and predict the grain refinement during SPP. In this work, the crystal plasticity theory was used to study elastic-plastic deformation in polycrystalline aluminums under large shear deformation. Two approaches, kernel averaged misorientation (KAM) and grain reference orientation deviation (GROD), were used to assess the grain misorientations. The geometrically necessary dislocation (GND) density was computed with the plastic strain rate. The deformation simulations were carried out under two loading conditions to investigate the effect of loading paths on the evolutions of grain misorientation and GND density. The results show that the regions with high misorientation and GND density first appear near grain boundaries. These regions then extend toward interior grains. The loading path affects dislocation system activation and dislocation recovery, hence dislocation evolution and misorientation. In conclusion, both two- and three-dimensional simulations showed that the spatial and temporal evolutions of GROD, KAM, and GND density in are closely correlated, which indicates they all can be used as criteria of grain refinement or recrystallization.

36 MATERIALS SCIENCE↗