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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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DOE OSTI2020

Automotive fuel cell stack and system efficiency and fuel consumption based on vehicle testing on a chassis dynamometer at minus 18 °C to positive 35 °C temperatures

In this work we present an in-depth laboratory technology assessment of a 2016 Toyota Mirai Fuel Cell (FC) vehicle based on chassis dynamometer testing. The 114.6 kW FC stack has a high dynamic response, which makes this powertrain a FC-dominant hybrid electric vehicle. The measured peak efficiency is 66.0% FC stack and 63.7% FC system with an idle hydrogen flow rate of 4.39 g/hr. The high FC system efficiencies at low loads match typical vehicle power spectrums, resulting in a high average vehicle efficiency of 62% compared to 45% and 23% for a hybrid electric vehicle and a conventional vehicle, respectively. An energy breakdown accounts for the FC stack losses, FC system losses, air compressor loads, and heater loads for different drive cycles and different thermal conditions. The cold-start North American city drive cycle (UDDS) energy consumption values are, respectively, 758, 581, 226, and 321 Wh/km at ambient conditions of -18 degrees C, -7 degrees C, -25 degrees C and 35 degrees C with 850 W/m 2 of solar loading. The FC system shutdown and startup processes at temperatures below the freezing point contribute to the increased hydrogen consumption. Additionally, the raw test data files are available for download, thus providing the research community with a public reference data on a modern production automotive FC system.

08 HYDROGEN↗

DOE OSTI2019

Nonequilibrium orbital transitions via applied electrical current in calcium ruthenates

Simultaneous control of structural and physical properties via applied electrical current poses a new, key research topic with both fundamental and technological significance. Studying the spin-orbit-coupled antiferromagnet Ca 2 RuO 4 , and its derivative with 3% Mn doping to alleviate the violent first-order transition at 357 K, we find that a small applied electrical current couples to the lattice by significantly reducing its orthorhombic distortions and octahedral rotations, while concurrently diminishing the 125-K antiferromagnetic transition. Further increasing electrical current density above 0.15A/cm 2 induces a new nonequilibrium orbital state, with a transition signature at 80 K that features a simultaneous jump in both magnetization and electrical resistivity, sharply contrasting the current-free state. Here, we argue that nonequilibrium electron occupancies of the $t_{2g}$ orbitals stabilized by applied current drive the observed lattice changes and thereby the novel phenomena in this system. Finally, we note that current-induced diamagnetism reported in recent literature [C. Sow et al., Science 358, 1084 (2017).] is not discerned in either slightly doped or pure Ca 2 RuO 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Probing liquid/liquid interfaces at and away from equilibrium using vibrational sum frequency generation

The self-assembly and transport of species at oil/aqueous interfaces represent key mechanistic steps in processes spanning from liquid extraction to soft-matter neuromorphic electrical devices. While technologically and fundamentally important, there is a notable lack of chemical understanding regarding these buried interfaces due to challenges in differentiating species located at the surface from the nearby bulk phases. In this work, we will describe some of the challenges in probing chemistry at these liquid/liquid interfaces and detail the approaches we have developed using vibrational sum frequency generation to enable studies of these complex interfaces at and away from equilibrium. From these spectroscopic developments, new insight into solvation, ion pairing, aggregation, complexation, and transport will be discussed in the context of solvent extraction chemistry. Notably, we show how the presence of both oil and aqueous phases provides an environment to drive fundamentally different phenomena from what is observed at model air/aqueous interfaces. This difference arises from key differences in solvation and bulk populations that feedback onto the surface to drive emergent and often functional molecular assemblies.

Doughty, Benjamin L↗

DOE OSTI2022

Decarbonizing Medium & Heavy-Duty On-Road Vehicles

We analyze the decarbonization potential of medium and heavy-duty vehicles (MHDVs) across multiple vehicle classes and market segments. We evaluate the timeframe in which zero-emission vehicles (ZEVs) could achieve cost parity with conventional diesel vehicles and the implications for energy and emissions. Our results show that ZEVs can achieve cost parity with conventional vehicles by 2035 across the majority of vehicle classes and market segments. Emissions reductions range from 27% to 77% by 2050 relative to 2019 across multiple fuel cost and technology progress sensitivities. Multiple technology pathways are viable for decarbonization, including battery-electric vehicles and hydrogen fuel cell electric vehicles. This presentation is based on previous work published by NREL: Ledna, C., Muratori, M., Yip, A., Jadun, P., and Hoehne, C. 2022. Decarbonizing Medium & Heavy-Duty On-Road Vehicles: Zero-Emission Vehicles Cost Analysis. National Renewable Energy Laboratory, https://www.nrel.gov/docs/fy22osti/82081.pdf.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

Photoexcitation of Fe 3 O Nodes in MOF Drives Water Oxidation at pH=1 When Ru Catalyst Is Present

Abstract Artificial photosynthesis strives to convert the energy of sunlight into sustainable, eco‐friendly solar fuels. However, systems with light‐driven water oxidation reaction (WOR) at pH=1 are rare. Broadly used [Ru(bpy) 3 ] 2+ (bpy=2,2’‐bipyridine) photosensitizer has a fixed +1.23 V potential which is insufficient to drive most water oxidation catalysts (WOCs) in acid, while Fe 2 O 3 , featuring the highly oxidizing holes, is not stable at low pH. Here, the key examples of Fe‐based metal–organic framework (MOF) water oxidation photoelectrocatalysts active at pH=1 are presented. Fe‐MIL‐126 and Fe MOF‐dcbpy structures were formed with 4,4’‐biphenyl dicarboxylate (bpdc), 2,2’‐bipyridine‐5,5’‐dicarboxylate (dcbpy) linkers and their mixtures. Presence of dcbpy linkers allows integration of metal‐based catalysts via coordination to 2,2’‐bipyridine fragments. Fe‐based MOFs were doped with Ru‐based precursors to achieve highly active MOFs bearing [Ru(bpy)(dcbpy)(H 2 O) 2 ] 2+ WOC. Materials were analyzed with X‐ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infra‐red (FTIR) spectroscopy, resonance Raman, X‐ray absorption spectroscopy, fs optical pump‐probe, electron paramagnetic resonance (EPR), diffuse reflectance and electric conductivity measurements and were modeled by band structure calculations. It is shown that under reaction conditions, Fe III and Ru III oxidation states are present, indicating rate‐limiting electron transfer in MOF. Fe 3 O nodes emerge as photosensitizers able to drive prolonged O 2 evolution in acid. Further developments are possible via MOF's linker modification for enhanced light absorption, electrical conductivity, reduced MOF solubility in acid, Ru‐WOC modification for faster WOC catalysis, or Ru‐WOC substitution to 3d metal‐based systems. The findings give further insight for development of light‐driven water splitting systems based on Earth‐abundant metals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Exciton Superposition across Moiré States in a Semiconducting Moiré Superlattice

Moiré superlattices of semiconducting transition metal dichalcogenides enable unprecedented spatial control of electron wavefunctions, leading to emerging quantum states. The breaking of translational symmetry further introduces a new degree of freedom: high symmetry moiré sites of energy minima behaving as spatially separated quantum dots. We demonstrate the superposition between two moiré sites by constructing a trilayer WSe 2 /monolayer WS 2 moiré heterojunction. The two moiré sites in the first layer WSe 2 interfacing WS 2 allow the formation of two different interlayer excitons, with the hole residing in either moiré site of the first layer WSe 2 and the electron in the third layer WSe 2 . An electric field can drive the hybridization of either of the interlayer excitons with the intralayer excitons in the third WSe 2 layer, realizing the continuous tuning of interlayer exciton hopping between two moiré sites and a superposition of the two interlayer excitons, distinctively different from the natural trilayer WSe 2 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Autonomous Eco-Driving with Traffic Light and Lead Vehicle Constraints: An Application of Best Constrained Interpolation

Eco-Driving is a critical technology for improving automotive transportation efficiency. It is achieved by modifying the driving trajectory over a particular route to minimize required propulsion energy. Eco-Driving can be approached as an optimal control problem subject to driving constraints such as traffic lights and positions of other vehicles. Best interpolation in a strip is a problem in approximation theory and optimal control. The solution to this problem is a cubic spline. In this research, we demonstrate the connection between Eco-Driving and best interpolation in the strip. By exploiting this connection, we are able to generate optimal Eco-Driving trajectories that could be driven with an autonomous system. Using the simulation tool FASTSim, we can evaluate the trajectories using conventional, hybrid electric, and fully electric vehicle models. Our results quantify the energy efficiency improvements that can be achieved with the proposed approach.

Mahmoud, Yara Hazem↗

DOE OSTI2022

Autonomous Eco-Driving with Traffic Light and Lead Vehicle Constraints: An Application of Best Constrained Interpolation

Mahmoud, Yara Hazem↗

DOE OSTI2021

Topological Magnets: Functions Based on Berry Phase and Multipoles

Macroscopic responses of magnets are often governed by magnetization and, thus, have been restricted to ferromagnets. However, such responses are strikingly large in the newly developed topological magnets, breaking the conventional scaling with magnetization. Taking the recently discovered antiferromagnetic (AF) Weyl semimetals as a prime example, we highlight the two central ingredients driving the significant macroscopic responses: the Berry curvature enhanced because of nontrivial band topology in momentum space, and the cluster magnetic multipoles in real space. The combination of large Berry curvature and multipoles enables large macroscopic responses such as the anomalous Hall and Nernst effects, the magneto-optical effect, and the novel magnetic spin Hall effect in antiferromagnets with negligible net magnetization, but also allows us to manipulate these effects by electrical means. Furthermore, nodal-point and nodal-line semimetallic states in ferromagnets may provide the strongly enhanced Berry curvature near the Fermi energy, leading to large responses beyond the conventional magnetization scaling. These significant properties and functions of the topological magnets lay the foundation for future technological development such as spintronics and thermoelectric technology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Molecular-Modified Photocathodes for Applications in Artificial Photosynthesis and Solar-to-Fuel Technologies

Nature offers inspiration for developing technologies that integrate the capture, conversion, and storage of solar energy. In this review article, we highlight principles of natural photosynthesis and artificial photosynthesis, drawing comparisons between solar energy transduction in biology and emerging solar-to-fuel technologies. Key features of the biological approach include use of earth-abundant elements and molecular interfaces for driving photoinduced charge separation reactions that power chemical transformations at global scales. Finally, for the artificial systems described in this review, emphasis is placed on advancements involving hybrid photocathodes that power fuel-forming reactions using molecular catalysts interfaced with visible-light-absorbing semiconductors.

14 SOLAR ENERGY↗

DOE OSTI2025

Synthesis‐Related Nanoscale Defects in Mo‐Based Janus Monolayers Revealed by Cross‐Correlated AFM and TERS Imaging

2D Janus transition metal dichalcogenides (TMDs) are promising candidates for various applications including non-linear optics, energy harvesting, and catalysis. These materials are usually synthesized via chemical conversion of pristine TMDs. Nanometer-scale characterization of the obtained Janus materials’ morphology and local composition is crucial for both the synthesis optimization and the future device applications. In this work, we present the results of cross-correlated atomic force microscopy (AFM) and tip-enhanced Raman spectroscopy (TERS) study of Janus monolayers synthesized by the hydrogen plasma-assisted chemical conversion of MoSe 2 and MoS 2 . We demonstrate that the choice of both the growth substrate and the starting TMD influences the residual strain, thereby shaping the nanoscale morphology of the resulting Janus material. Furthermore, by employing TERS imaging, we show the presence of nanoscale islands (≈20 nm across) of MoSe 2 - ${\mathrm{Mo}}_{{\mathrm{Se}}}^{\mathrm{S}}$ (MoS 2 -${\mathrm{Mo}}_{\mathrm{S}}^{{\mathrm{Se}}}$) vertical heterostructures originating from the bilayer nanoislands in the precursor monolayer crystals. The understanding of the origins of nanoscale defects in Janus TMDs revealed in this study can help with further optimization of the Janus conversion process towards uniform and wrinkle-/crack-free Janus materials. Moreover, this work shows that cross-correlated AFM and TERS imaging is a powerful and accessible method for studying nanoscale composition and defects in Janus TMD monolayers.

2D materials↗

DOE OSTI2026

A rapid embodied carbon assessment tool for priority materials

Embodied carbon limits within building materials are a driving factor in global trade, generating new research and analysis tools in industry. These product assessments, which require utilizing life-cycle assessment (LCA) across broad supply chains, can be expensive, time and data-intensive, and subject to significant variations. Existing methods and tools, such as specific environmental product declarations, typically do not capture these variations and dynamics in supply and manufacturing. Moreover, models and tools must enable stakeholders to assess customized supply chains and future scenarios. In this study, we present the Rapid Embodied Carbon Assessment and Target-setting for Emissions-intensive Materials (REDuCE) tool for building materials. We developed a tool that allows users to select production technologies, transportation mode and distances, concrete carbonation, fuel sources, and regional electricity mixes to supply customization for cement and concrete produced and consumed in California. We generated and integrated a material demand model using residential building stock projections. We provide the user with a wide range of mitigation alternatives through low-carbon production pathways, material use efficiency, transportation modes, and projected electricity grid mixes. In a case study application through four mitigation scenarios, we find emission savings up to 80% by maximizing user mitigation alternatives, primarily driven by reductions in material use intensities. This work represents a foundation for expanding LCA and embodied carbon tools to better enable stakeholders to rapidly and accurately assess customized supply chains while meeting trade requirements.

building materials↗

DOE OSTI2020

High-Temperature Heat Transfer Fluid Circulator for Concentrating Solar Power Systems

Concentrating Solar Power (CSP) plants with Thermal Energy Storage (TES), require compressors capable of circulating supercritical carbon dioxide (sCO2) heat transfer fluids (HTFs) at temperatures from 500 to 700+°C and pressures from 8 to 25 MPa (80 to 250 Bar or 1160 to 3626 psia) in order to achieve thermal-to-electric efficiencies >50%. A review of papers relating to SCO2 compressors reveals that in almost every case the conditions being considered either allow for cooling of the SCO2 working fluid or are considering operating conditions close to the critical point at a temperature and pressure of approximately 31°C and 1070 psi). While the technology reported in these papers is relevant to most turbomachinery, the current CSP gas pathway circulator operating pressures are well above the CO2 critical point and do not allow for cooling of the main HTF flow. The purpose of this paper was to describe the key system issues affecting the design of a HTF circulator that could be scaled from a small size research and proof of concept circulator compressor to sizes supporting power plants producint upwards of 100 to 300 Mega Watts of electrical power. Due to the high temperatures and pressures the research scale HTF circulator was designed to be hermetically sealed to prevent leakage of the super critical carbon dioxide to the environment. In order to achieve hermetic sealing the drive motor and centrifugal impeller were fully integrated in a single shaft system configuration. From a preliminary assessment of compression power as a function of operating speed and impeller diameter it was determined that a smaller, higher speed impeller would result in a more efficient circulator. However, due to the high pressure and corresponding density of the sCO2 coupled with high operating speeds, large windage losses (i.e., viscous drag on the high speed rotating shaft) would occur which could result in a substantial reduction in efficiency of the system. Therefore tradoff studies were complerted to identify the operating speeds and system component sizes to achieve high efficiency. Based on the trade studies, the final design was a 55 mm diamter compressor impeller operating at speeds to 85,000 rpm. The unit will be built and tested in the future. Key Words: Super Critical Carbon Dioxide, Heat Transfer Fluid, Turbomachinery, Compressor, Circulator, Critical Point, Concentrating Solar Power, Solar Energy

Super Critical Carbon Dioxide, Heat Transfer Fluid↗

DOE OSTI2024

7-8 GHz Point-to-Point Testing

Wireless spectrum is a limiting resource for continued economic growth in the United States. As discussed in the recent National Spectrum Strategy (NSS), wireless spectrum underpins several aspects of the U.S. economy and the demand for additional spectrum is driving the need for realizing spectrum sharing to enable continued development. At the same time, wireless spectrum is an essential foundation of critical energy infrastructure, including electric, oil, and natural gas resources. In particular, wireless point-to-point (P2P) links are the backbone of vast infrastructure networks that enable the flow of sensor and control information needed to manage critical energy sector infrastructure in the United States. These links will only become more important as the energy sector incorporates more diverse sensing and more efficient control mechanisms, which increases system complexity and data volume requiring more resilient communications. Therefore, the continued economic development of the U.S. depends on determining novel approaches to spectrum management that balance both broad access for advanced wireless technologies and resilience for critical infrastructure.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Nuclear's Role in the U.S. Electricity System: A Multi-Model Inter-Comparison Analysis

Multiple capacity expansion models (CEMs) for the U.S. power system represent the balance of options among generation, transmission, and storage assets that can satisfy electric loads, operating and planning reserves, and policy requirements. These models are typically set up to find the least-cost portfolio of assets that meet specified requirements, and model decisions can include both investments in new, and retirement of existing, resources. The scenarios explored by CEMs can help inform strategies for meeting future electricity and energy needs under a range of future conditions. However, projections can differ between models, sometimes dramatically, for a seemingly similar scenario. Differences in model coverage, structure, and input assumptions contribute to the range of model outcomes. Understanding what drives the biggest differences in model outputs improves model insights and provides context for interpreting results. This summary presents analysis that was performed through a forum of analysts who own, update, and apply CEMs, as well as nuclear experts from national laboratories, industry, and the research community. The following sections describe methods, results, and findings from an original, innovative inter-model comparison that provides insights into what drives the greatest differences in nuclear retirement and deployment projections across models and a range of technology, market, and policy conditions.

capacity expansion model↗

DOE OSTI2025

Enhanced domain dynamics in alternating current poled rhombohedral Pb(Mg 1/3 Nb 2/3 )O 3 –PbTiO 3 single crystals

Abstract The understanding of domain dynamics in ferroelectric materials is crucial for optimizing their performance in piezoelectric and electro‐optic applications. Although previous studies have focused on static domain structures and macroscopic characteristics, the time‐resolved approach of domains remains largely unexplored. In this study, we compare the dynamic responses of direct current (DC) and alternating current (AC) poled [001]‐oriented rhombohedral Pb(Mg 1/3 Nb 2/3 )O 3 –PbTiO 3 (PMN–PT) single crystals using X‐ray photon correlation spectroscopy (XPCS) during the application of external electric fields. Our results demonstrate that the AC‐poled sample exhibit enhanced reconfiguration of domain variants in response to driving fields compared to the DC‐poled counterpart, as evidenced by accelerated correlation decay and faster relaxation time. This phenomenon is attributed to enhanced reversible domain wall motion achieved through AC poling, which facilitates field‐induced domain realignment. These findings provide insight into the relationship between dynamics and macroscopic properties in relaxor‐PT single crystals for high‐performance applications.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Regionalized Life Cycle Greenhouse Gas Emissions of Forest Biomass Use for Electricity Generation in the United States

This study presents a cradle-to-grave life cycle analysis (LCA) of the greenhouse gas (GHG) emissions of the electricity generated from forest biomass in different regions of the United States (U.S.), taking into consideration regional variations in biomass availabilities and logistics. The regional biomass supply for a 20 MW bioelectricity facility is estimated using the Land Use and Resource Allocation (LURA) model. Results from LURA and data on regional forest management, harvesting, and processing are incorporated into the GHGs, Regulated Emissions, and Energy Use in Technologies (GREET) model for LCA. The results suggest that GHG emissions of mill residues-based pathways can be 15-52% lower than those of pulpwood-based pathways, with logging residues falling in between. Nonetheless, our analysis suggests that screening bioenergy projects on specific feedstock types alone is not sufficient because GHG emissions of a pulpwood-based pathway in one state can be lower than those of a mill residue-based pathway in another state. Furthermore, the available biomass supply often consists of several woody feedstocks, and its composition is region-dependent. Forest biomass-derived electricity is associated with 86-93% lower life-cycle GHG emissions than the emissions of the average grid electricity in the U.S. Key factors driving bioelectricity GHG emissions include electricity generation efficiency, transportation distance, and energy use for biomass harvesting and processing.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Seeding the explosion of a high-current-density conductor in a controlled manner through the addition of micron-scale surface defects

Inhomogeneities in a current-carrying conductor promote non-uniform heating and expansion through the complex feedback between current density, electrical resistivity, Ohmic heating, temperature, and hydrodynamics. Three-dimensional-magnetohydrodynamic (3D-MHD) simulations suggest that μm-scale resistive inclusions or voids seed local overheating and through hydrodynamic explosion generate continuously growing craters which become several times larger than the initial perturbation. The ejected mass is the genesis of an electrothermally driven plasma filament which develops at lower current than plasmas on uniform surfaces adjacent to the defect. This result suggests that 1D or even 2D treatments are largely inadequate for detailed prediction of plasma formation. To test computational predictions, z-pinch experiments driven to 1 MA studied ultra-high-purity aluminum rods which were then machined to include pairs of quasi-hemispherical voids or “engineered defects (ED)” on the current-carrying surface. ED are the dominant current-density perturbation and reproducibly drive local overheating which can be compared with 3D-MHD simulation. Data from high-resolution-gated imagers of visible surface emissions confirm many simulation predictions, including the surface topography of local overheating, and the propensity for neighboring ED to prematurely source plasmas which then connect to form a plasma filament. Results also provide conditional support of theory which suggests heating similarity; that is, heating is independent of ED size for geometrically scaled ED.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗