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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Large-scale metal strip for power storage and energy conversion applications by machining-based deformation processing

Machining-based deformation processing is used to produce metal foil and flat wire (strip) with suitable properties and quality for electrical power and renewable energy applications. In contrast to conventional multistage rolling, the strip is produced in a single-step and with much less process energy. Examples are presented from metal systems of varied workability, and strip product scale in terms of size and production rate. By utilizing the large-strain deformation intrinsic to cutting, bulk strip with ultrafine-grained microstructure, and crystallographic shear-texture favourable for formability, are achieved. In conclusion, implications for production of commercial strip for electric motor applications and battery electrodes are discussed.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Implications of the fractional charge of hydroxide at the electrochemical interface

Rational design of materials that efficiently convert electrical energy into chemical bonds will ultimately depend on a thorough understanding of the electrochemical interface at the atomic level. Towards this goal, the use of density functional theory (DFT) at the generalized gradient approximation (GGA) level has been applied widely in the past 15 years. In the calculation of electrochemical reaction energetics using GGA-DFT, it is frequently implicitly assumed that ions in the Helmholtz plane have unit charge. However, the ion charge is observed to be fractional near the interface through both a capacitor model and through Bader charge partitioning. In this work, we show that this spurious charge transfer can be effectively mitigated by continuum charging of the electrolyte. Finally, we show that, similar to hydronium, the observed fractional charge of hydroxide is not due to a GGA level self-interaction error, as the partial charge is observed even when using hybrid level exchange–correlation functionals.

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

Progress toward picosecond on-chip magnetic memory

Here, we offer a perspective on the prospects of ultrafast spintronics and opto-magnetism as a pathway to high-performance, energy-efficient, and non-volatile embedded memory in digital integrated circuit applications. Conventional spintronic devices, such as spin-transfer-torque magnetic-resistive random-access memory (STT-MRAM) and spin–orbit torque MRAM, are promising due to their non-volatility, energy-efficiency, and high endurance. STT-MRAMs are now entering into the commercial market; however, they are limited in write speed to the nanosecond timescale. Improvement in the write speed of spintronic devices can significantly increase their usefulness as viable alternatives to the existing CMOS-based devices. In this article, we discuss recent studies that advance the field of ultrafast spintronics and opto-magnetism. An optimized ferromagnet–ferrimagnet exchange-coupled magnetic stack, which can serve as the free layer of a magnetic tunnel junction (MTJ), can be optically switched in as fast as ~3 ps. Integration of ultrafast magnetic switching of a similar stack into an MTJ device has enabled electrical readout of the switched state using a relatively larger tunneling magnetoresistance ratio. Purely electronic ultrafast spin–orbit torque induced switching of a ferromagnet has been demonstrated using ~6 ps long charge current pulses. We conclude our Perspective by discussing some of the challenges that remain to be addressed to accelerate ultrafast spintronics technologies toward practical implementation in high-performance digital information processing systems.

42 ENGINEERING↗
DOE OSTI2023

Electronic transport in copper–graphene composites

In this work, we investigate electronic transport properties of copper–graphene (Cu–G) composites using a density-functional theory (DFT) framework. Conduction in composites is studied by varying the interfacial distance of copper/graphene/copper (Cu/G/Cu) interface models. Electronic conductivity of the models computed using the Kubo–Greenwood formula shows that the conductivity increases with decreasing Cu–G distance and saturates below a threshold Cu–G distance. The DFT-based Bader charge analysis indicates increasing charge transfer between Cu atoms at the interfacial layers and the graphene with decreasing Cu–G distance. The electronic density of states reveals increasing contributions from both copper and carbon atoms near the Fermi level with decreasing Cu–G interfacial distance. By computing the space-projected conductivity of the Cu/G/Cu models, we show that the graphene forms a bridge to the electronic conduction at small Cu–G distances, thereby enhancing the conductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Evaluation of Composite Structural Materials for Heliostat Cost Reduction

Structures manufactured from steel comprise up to 40% of a CSP heliostat's cost. Composite structures represent a potential opportunity to reduce this cost. A reference heliostat structural model has been created with a reflector area of 25m 2 . The design, constructed of low-carbon steel, pro-vides baseline deflection and stiffness under a 21 m/s operating wind speeds. Wind loads on the tracker structure are determined for both operating and stow conditions. An established roster of suitable metal alternative materials is considered including: glass, basalt, and carbon reinforced polymer (GFRP, BFRP, and CFRP respectively). Three heliostat components are investigated: the pylon, torque tube, and the purlin-strut assembly. Composite material properties are substituted for those of steel, and the beams are re-sized to match the original steel components' deflection under given wind loads. Weight and cost changes resulting from this resizing are evaluated. It is found that GFRP and BFRP represent a 3X–6X cost premium for the same operating deflection character-istics as steel across all three investigated component classes; with weight reduction only achieved for the purlin-strut assembly. While CFRP components can achieve approximately 25–75% weight savings depending on the application, this comes with a 9X–14X cost increase over the steel base-line for tube-type structures and roughly 5X cost increase when replacing c-channel structures. This work does not rule out the possibility of cost savings when the heliostat design and kinematics to take advantage of composites' specific properties.

14 SOLAR ENERGY↗
DOE OSTI2026

Synthesis of Lanthanide-Based Intermetallic Silicides

Lanthanide-containing materials are of interest because of their useful magnetic and electronic behavior. To study this intrinsic behavior, researchers need high-quality single crystals to avoid interference from grain boundaries or defects commonly found in polycrystalline samples. One method for growing single crystals is metal-flux synthesis, an approach that promotes crystal growth at lower reaction temperatures thus providing access to complex intermetallic phases. My project focuses on synthesizing novel lanthanide-containing intermetallic silicides related to previously reported f-element compounds with the Gd1??Fe4Si10?? structure type. I investigated reactions targeting lanthanum, praseodymium, neodymium, samarium, europium, and gadolinium-containing products, and used scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDS) to identify promising lanthanide-containing phases. I prepared reactions by loading lanthanide oxides, Co, Si, Al, and Ga into alumina crucibles in a 0.2:1:1:10:10 Ln2O3/Co/Si/Al/Ga mmol ratio, where Ln = La, Nd, Pr, Sm, Eu, or Gd. The reactions were sealed in quartz tubes, heated in a furnace, and centrifuged to separate crystals from excess flux. Afterwards, I mechanically isolated single crystals and prepared them for characterization. Pr-, Nd-, and Sm-containing reactions were confirmed through SEM-EDS to have formed the targeted quaternary phase. Single crystal X-ray diffraction (SC-XRD) data showed the Nd-containing crystals exhibited a hexagonal unit cell associated with the Gd1??Fe4Si10?? structure type. La- and Eu-containing reactions instead formed competing Co(Al/Ga/Si)3 phase crystals. Single-crystal XRD, powder XRD, and magnetic susceptibility and heat-capacity measurements will be collected for the remaining lanthanide-containing crystals. This data will help determine the complete crystal structure of the lanthanide analogues, their phase purity and whether they exhibit localized magnetic behavior, magnetic ordering, or other electronic signatures that can be compared with the previously reported actinide analogues. The disordered structure of this intermetallic family is associated with unusual magnetic and electronic behavior meaning lanthanide analogues may show potential as thermoelectric materials. Developing new thermoelectric candidate materials is relevant to energy efficiency and waste-heat recovery, which supports DOE’s broader goal of advancing science and technology solutions for America’s energy needs.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2023

A Sustainability-Based Expert System for Additive Manufacturing and CNC Machining

The objective of this research study is to develop a set of expert systems that can aid metal manufacturing facilities in selecting binder jetting, direct metal laser sintering, or CNC machining based on viable products, processes, system parameters, and inherent sustainability aspects. For the purposes of this study, cost-effectiveness, energy, and auxiliary material usage efficiency were considered the key indicators of manufacturing process sustainability. The expert systems were developed using the knowledge automation software Exsys Corvid ® V6.1.3. The programs were verified by analyzing and comparing the sustainability impacts of binder jetting and CNC machining during the fabrication of a stainless steel 316L component. According to the results of this study, binder jetting is deemed to be characterized by more favorable indicators of sustainability in comparison to CNC machining, considering the fabrication of components feasible for each technology.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Additive Manufacturing of Thermal Energy Storage Composites with Microencapsulated Phase Change Materials Supported in a Multipolymer Matrix

Additive manufacturing (AM) techniques to directly integrate phase change materials (PCMs) are of interest for efficient thermal energy storage (TES) architectures. Complex, high surface-to-volume ratio composites embedded with PCM can improve thermal management with reduced material waste for customizable device fabrication. Reducing feature sizes of TES-integrated heat exchangers using AM can increase heat transfer without thermal conductivity enhancement. Here, composite AM materials containing 60 wt% microencapsulated phase change materials (MEPCM) are fabricated using off-the-shelf printers at common speeds and resolutions. High MEPCM loading in filaments is achieved with powder extrusion using two polymers, thermoplastic-polyurethane (TPU) and polycaprolactone (PCL), that mediate flexibility and rigidity for effective extrusion and printing without filament fracture or buckling. Furthermore, with PCL and TPU at 20 wt% each and 60 wt% MEPCM (P 20 T 20 M 60 ), smooth, form-stable filaments are consistently printed. Powder-based extrusion displays negligible damaging effects on the MEPCM. Printed P 20 T 20 M 60 demonstrates 105 J/g of energy storage with no degradation through 250 thermal cycles, within 5% of the theoretical storage enthalpy. Combining PCL/TPU shows good interfacial adhesion between print layers and produces high surface area objects, like 15% gyroids, and dense, 100% infilled pucks. Prints are also scalable to a 900 cm 3 honeycomb heat exchanger with an estimated 9 Wh energy storage.

25 ENERGY STORAGE↗
DOE OSTI2021

Parametric study of solid-solid translucent phase change materials in building windows

Thermal energy storage and solar radiation management are crucial to improve the sustainability and energy efficiency of buildings. Compared with the implementation of phase change materials (PCMs) in opaque components, the energy saving potential of incorporating PCMs in transparent glazing windows is much less studied and not well understood. Here we present a comprehensive parametric study of novel PCM windows for building energy saving with a focus on optimizing and quantitatively distinguishing the contributions from the optical and thermal properties of the PCM, which is particularly useful for the design of solid-solid PCM windows. We investigate a reference commercial office building using EnergyPlus by developing an equivalent model of our PCM window that is compatible with EnergyPlus's modeling capabilities. Compared with a clear-clear double-pane window, the integration of 3 mm solid-solid PCMs with optimal properties in warm, mixed, and cold climates can respectively save up to 17.2%, 14.0%, and 5.8% energy for the HVAC (heating, ventilation, and air conditioning) system, and 9.4%, 6.7%, and 3.2% energy for the whole building. We also demonstrate that these energy savings are most sensitive to the solar absorptance of PCMs for all three climates. The optimal transition temperature varies with climate and is related to the climate and solar radiation heat gain. Other issues are also briefly discussed, such as hysteresis, window orientations, and the effect of interior lighting. Finally, although the optimal PCM windows show energy saving performance comparable with low-emissivity windows, the PCM windows provide a unique advantage in terms of shifting HVAC loads which can provide benefits to the electrical grid.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

An unsupervised machine learning based approach to identify efficient spin-orbit torque materials

Materials with large spin–orbit torque (SOT) hold considerable significance for many spintronic applications because of their potential for energy-efficient magnetization switching. Unfortunately, most of the existing materials exhibit an SOT efficiency factor that is much less than unity, requiring a large current for magnetization switching. The search for new materials that can exhibit an SOT efficiency much greater than unity is a topic of active research, and only a few such materials have been identified using conventional approaches. In this paper, we present a machine learning-based approach using a word embedding model that can identify new results by deciphering non-trivial correlations among various items in a specialized scientific text corpus. We show that such a model can be used to identify materials likely to exhibit high SOT and rank them according to their expected SOT strengths. The model captured the essential spintronics knowledge embedded in scientific abstracts within various materials science, physics, and engineering journals and identified 97 new materials to exhibit high SOT. Among them, 16 candidate materials are expected to exhibit an SOT efficiency greater than unity, and one of them has recently been confirmed with experiments with quantitative agreement with the model prediction.

Sayed, Shehrin↗
DOE OSTI2024

New Directions for Thermoelectrics: A Roadmap from High‐Throughput Materials Discovery to Advanced Device Manufacturing

Thermoelectric materials, which can convert waste heat into electricity or act as solid‐state Peltier coolers, are emerging as key technologies to address global energy shortages and environmental sustainability. However, discovering materials with high thermoelectric conversion efficiency is a complex and slow process. The emerging field of high‐throughput material discovery demonstrates its potential to accelerate the development of new thermoelectric materials combining high efficiency and low cost. The synergistic integration of high‐throughput material processing and characterization techniques with machine learning algorithms can form an efficient closed‐loop process to generate and analyze broad datasets to discover new thermoelectric materials with unprecedented performances. Meanwhile, the recent development of advanced manufacturing methods provides exciting opportunities to realize scalable, low‐cost, and energy‐efficient fabrication of thermoelectric devices. This review provides an overview of recent advances in discovering thermoelectric materials using high‐throughput methods, including processing, characterization, and screening. Advanced manufacturing methods of thermoelectric devices are also introduced to realize the broad impacts of thermoelectric materials in power generation and solid‐state cooling. In the end, this article also discusses the future research prospects and directions.

Song, Kaidong↗
DOE OSTI2023

BiVO 4 –Liquid Junction Photovoltaic Cell with 0.2% Solar Energy Conversion Efficiency

BiVO 4 is an important photoanode material for water oxidation, but its photoelectrochemistry regarding the triiodide/iodide redox couple is not well understood. Here, we use a combination of open circuit potential measurements, photoelectrochemical scans, and liquid surface photovoltage spectroscopy (SPS) to confirm that BiVO 4 /triiodide/iodide electrolyte contacts produce up to 0.55 V photovoltage under 23 mW/cm –2 illumination from a 470 nm LED. Inspired by these results, we construct FTO/BiVO 4 /KI(I 2 ) aq /Pt sandwich photoelectrochemical cells from electrochemically grown 0.5 × 0.5 cm 2 BiVO 4 and Mo-doped BiVO 4 films. Under AM 1.5 illumination, the devices have up to 0.22% energy conversion efficiency, 0.32 V photovoltage, and 1.8 mA cm –2 photocurrent. Based on SPS, hole transfer to iodide is sufficiently fast to prevent the competing water oxidation reaction. Mo doping increases the incident photon-to-current efficiency to up to 55% (at 425 nm under front illumination) by improving the BiVO 4 conductivity, but this comes at the expense of a lower photovoltage resulting from recombination at the Mo defects and a detrimental Schottky junction at the interface with FTO. Additional photovoltage losses are caused by the offset between the BiVO 4 valence band edge and the triiodide/iodide electrochemical potential and by electron back transfer to iodide at the FTO back contact (shunting). Overall, this work provides the first example of a BiVO 4 –liquid photovoltaic cell and an analysis of its limitations. Finally, even though the larger band gaps of metal oxides constrain their solar energy conversion efficiency, their transparency to visible light and deep valence bands makes them suitable for tandem photovoltaic devices.

14 SOLAR ENERGY↗
DOE OSTI2024

Low-Temperature Molten Salt Electrochemical CO 2 Upcycling for Advanced Energy Materials

One strategy for addressing the climate crisis caused by CO 2 emissions is to efficiently convert CO 2 to advanced materials suited for green and clean energy technology applications. Porous carbon is widely used as an advanced energy storage material because of its enhanced energy storage capabilities as an anode. Herein, we report electrochemical CO 2 upcycling to solid carbon with a controlled microstructure and porosity in a ternary molten carbonate melt at 450 °C. Controlling the electrochemical parameters (voltage, temperature, cathode material) enabled the conversion of CO 2 to porous carbon with a tunable morphology and porosity for the first time at such a low temperature. Additionally, a well-controlled morphology and porosity are beneficial for reversible energy storage. In fact, these carbon materials delivered high specific capacity, stable cycling performances, and exceptional rate capability even under extremely fast charging conditions when integrated as an anode in lithium-ion batteries (LIBs). In conclusion, the present approach not only demonstrated efficient upcycling of CO 2 into porous carbon suitable for enhanced energy storage but can also contribute to a clean and green energy technology that can reduce carbon emissions to achieve sustainable energy goals.

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

Short-Lived Modules Need to be Efficient, Lightweight, and Circular for the Energy Transition

Deployment projections for decarbonizing the grid predict 1.75 TW of PV is needed in the United States by 2050. This entails a cumulative demand of 97 million metric tonnes of virgin materials for c-Si modules. These material needs are extraction and energy intensive, making them a key target for improving PV sustainability. Emerging PV technologies, such as perovskites, are targeting 15-year modules, high efficiencies, and circular designs. Previous analysis found that by just modifying the life expectancy to 15 years (keeping target c-Si efficiencies and BOM), an additional 1.4 TW of replacement modules are required to maintain capacity, increasing virgin material demand by 1.75x unless >95% closed-loop recycling is maintained. This study examines the effect of achieving higher efficiencies with thin-film designs and a 15-year expectancy. Higher efficiencies and thin film designs can decrease deployment and material demands, making the level of circularity more attainable. If BOM mass is reduced by 50%, closed-loop recycling rates need to be >80% to reduce virgin material demands compared to a 35-yr c-Si module. If module efficiencies are 30%, closed-loop recycling rates can be reduced to 65%. This efficiency increase also reflects that 1500 million fewer modules can be deployed, however, this is still 2000 million more modules than a 35-year module needs to deploy to achieve energy transition targets, and no PV technology is closed-loop recycled for all component materials.

circular economy↗
DOE OSTI2023

Dielectrics Under Extreme Electric Fields: In Situ Studies on Nanoscale Mechanisms (Final Technical Report)

The lack of materials that can function reliably under extreme electric fields is a critical roadblock to achieving higher energy efficiency and extended service lifetime of devices in electricity generation, transmission, and consumption. Materials typically fail at two or three orders of magnitude below their theoretical dielectric breakdown strength. Identifying the origins of premature dielectric breakdown using state-of-the-art characterization tools will, therefore, enable the design and discovery of transformational materials capable of approaching their intrinsic limits. The vast improvement in the resolution power of imaging tools, combined with the recently developed in situ electric biasing technique, has made high resolution observations of dielectric breakdown as it happens possible. The overall goal of the project is to directly image the dynamic processes of defect formation, accumulation, and interaction with preexisting defects (e.g., dislocations, domain walls, and grain boundaries in crystalline dielectric films) under electric fields up to 1,000 MV/m with a temporal resolution better than 5 microseconds. Using the newly acquired, custom-made Hysitron PI95 transmission electron microscopy (TEM) specimen holder, in situ TEM observations of breakdown at the sub nanometer resolution will be made on representative dielectric compounds with progressive complexities: the linear dielectric SiO 2 , CuO, and TiO 2 , the ferroelectric BaTiO 3 nanocrystals and nanocubes. Through direct observation of the breakdown event at high spatial and temporal resolutions, the nanoscale mechanisms for the failure of dielectrics under intense electric fields will be identified. The results of the project will be applied to the design and processing of new dielectric materials with higher efficiency, improved reliability, and a prolonged lifetime. Such new dielectrics are urgently needed for modernizing energy infrastructures.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

High-Mass Loading of Flower-like Ni-MoS 2 microspheres Toward Efficient Intercalation pseudocapacitive Electrode

This work reports the exploration of intercalation pseudocapacitance in a thicker electrode of flowerlike Ni-doped MoS 2 microspheres that features a mass loading of ~10 mg/cm 2 without sacrificing the gravimetric capacitance (~425 F/g at 5 mV/s). Integration of Ni atoms into MoS 2 microspheres not only stabilized the structural integrity but also ameliorated the rapid intercalation and deintercalation of electrolyte ions even at a commercial-level mass loading. The energy instability by Ni doping significantly changed the local bonding behavior and the overall electronic structure of MoS 2 , facilitating the breaking of the MoS 2 layer and generation of more active edge sites, which are responsible for faster reaction kinetics. The experiments attribute the overall capacitance enhancement in (Mo-Ni)S 2 to the increased rate of electrolyte ion insertion and extraction, which is confirmed by b-values close to 0.5, at different potentials, indicating that the current response predominantly depends on the diffusive mechanism for both MoS 2 and Ni-MoS 2 thicker electrodes. The symmetric device constructed with Ni-MoS 2 microspheres exhibited a capacitance value of 101 F/g in 1 mV/s, for which the energy density is 9 Wh/kg, as well as attained an outstanding cycling stability of 10000 cycles with 60% retention at 2 A/g. In addition to providing insights into the development of 2D TMDs, this work explores the design of robust and highly efficient intercalation electrode material for electrochemical energy storage devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Diethylenetriamine-functionalized graphene oxide: Insights into ion adsorption and applications in rare earth element separation

The growing demand for critical minerals and materials requires atom- and energy-efficient, selective separations to overcome the challenges posed by the similar chemical and physical properties of the rare earth elements (REEs) and their low concentrations in unconventional domestic feedstocks. Here, in this study, we developed diethylenetriamine-functionalized graphene oxide (DETA-GO) as a membrane material for REE adsorption and separation. Synthesis conditions were optimized to maximize nitrogen incorporation while also preserving GO dispersibility for facile membrane fabrication. We investigated the mechanism of amine functionalization, the nitrogen-bonding configurations, the organization of the interlayer transport channels, and the resulting effects on ion and water transport for REE separations. Neat-GO and DETA-GO multilayer laminate membranes were fabricated by vacuum filtration onto polymer supports. To investigate the effects of amine functionalization, the membranes were characterized using scanning electron microscopy, Raman, Fourier transform infrared, and X-ray photoelectron spectroscopy, as well as grazing-incidence X-ray diffraction measurements. Ion permeation experiments with representative lanthanum (La 3+ ) and ytterbium (Yb 3+ ) solutions revealed enhanced ion adsorption and water transport through DETA-GO membranes compared to neat-GO. The strong affinity of the membranes for multivalent REEs was also validated with conductivity and inductively coupled plasma mass spectrometry measurements. Atomistic insight into the role of amine functionalization in modulating nanochannel architecture and long-term stability, optimizing adsorption sites, and regulating REE and water transport was obtained using classical molecular dynamics simulations. Collectively, our joint experimental and theoretical study demonstrates the potential of DETA-GO membranes for selective REE separations, offering insights into ion-binding mechanisms, water-transport properties, and nanochannel optimization for the recovery of critical materials from aqueous feedstocks.

Adsorbent↗
DOE OSTI2025

Properties of Electronic Materials

This final technical report summarizes the research conducted under DOE Grant DE-SC0002623, "Properties of Electronic Materials," led by Principal Investigator Shengbai Zhang at Rensselaer Polytechnic Institute. Over the 16-year period, the project employed first-principles computational methods to investigate the structural, electronic, and dynamic properties of a wide range of electronic materials, with applications in energy technologies, optoelectronics, and data storage. Key areas included topological insulators, phase-change materials, graphene and two-dimensional systems, perovskites for photovoltaics, defect engineering in semiconductors, kagome lattices, and ultrafast carrier dynamics. The research resulted in 115 peer-reviewed publications, advancing fundamental understanding of material behaviors at the atomic scale and contributing to innovations in renewable energy, memory devices, and quantum materials. Findings have implications for improving energy efficiency, developing lead-free solar cells, and enabling high-speed data processing. The work has trained numerous graduate students and postdocs, fostering the next generation of computational materials scientists. The original goals were to develop theoretical models and computational tools to predict and optimize electronic properties of materials for energy applications. All objectives were accomplished, with no major departures from planned methodologies. Challenges in computational scaling were addressed through access to high-performance computing resources.

36 MATERIALS SCIENCE↗