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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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Energy Snapshot - St. Vincent and The Grenadines

This profile provides a snapshot of the energy landscape of St Vincent and the Grenadines - islands between the Caribbean Sea and North Atlantic Ocean, north of Trinidad and Tobago.

44 EE - Strategic Programs, Energy Transition Init↗

Ultra-short pulse laser acceleration of protons to 80 MeV from cryogenic hydrogen jets tailored to near-critical density

Laser plasma-based particle accelerators attract great interest in fields where conventional accelerators reach limits based on size, cost or beam parameters. Despite the fact that particle in cell simulations have predicted several advantageous ion acceleration schemes, laser accelerators have not yet reached their full potential in producing simultaneous high-radiation doses at high particle energies. The most stringent limitation is the lack of a suitable high-repetition rate target that also provides a high degree of control of the plasma conditions required to access these advanced regimes. Here, we demonstrate that the interaction of petawatt-class laser pulses with a pre-formed micrometer-sized cryogenic hydrogen jet plasma overcomes these limitations enabling tailored density scans from the solid to the underdense regime. Our proof-of-concept experiment demonstrates that the near-critical plasma density profile produces proton energies of up to 80 MeV. Based on hydrodynamic and three-dimensional particle in cell simulations, transition between different acceleration schemes are shown, suggesting enhanced proton acceleration at the relativistic transparency front for the optimal case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Optimizing district energy systems under uncertainty: Insights from a case study from Washington D.C., USA

This study investigates solutions for delivering affordable heating and cooling to a brownfield site, focusing on a case study in Washington, DC. Moving towards more diverse and resilient energy systems, we identify the optimal portfolio for a district energy system with diverse energy sources to meet the area’s energy demands. Our methodological approach integrates two detailed models: one calculating building-level energy demand and the other optimizing district energy technology choices based on their demand profiles, accounting for uncertainties in energy prices, policies, and other parameters. The results provide an economic comparison of district and individual supply options at the building level, emphasizing the flexibility district systems can offer to the electricity sector. District energy systems demonstrate cost-stabilization benefits amidst volatile energy prices and external uncertainties. For heating, district systems yield significant cost savings compared to individual solutions, driven by fuel flexibility and the use of local renewable energy sources. For cooling, district systems also show advantages, though individual systems may remain more cost-effective for smaller buildings. Additionally, district systems exhibit considerable flexibility on the heating side, as evidenced by variations in electricity consumption. We recommend future research to explore the relationship between the economics of district energy systems, particularly at the building level, and their flexibility potential for the electricity sector across diverse geographic contexts to reduce overall grid costs and promote grid reliability. This includes areas with distinct zoning laws, municipal priorities, utility structures, and funding mechanisms, such as the United States, and regions like Europe with pronounced electricity price volatility.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Evaluation of Hybrid FPOG Applications in Regulated and Deregulated Markets Using HERON

Recent changes in the U.S. energy market, such as low natural gas prices and increased electricity production for variable renewable energy (VRE) sources, have led to an economic crisis for existing light-water reactor (LWR) nuclear power plants (NPP). Many owners and operators of LWRs have elected to decommission these plants rather than continue using them as consistent sources of clean baseload power. This has led to exploration of various possibilities to increase the economic viability of these units, including market restructuring to monetize benefits LWRs already provide to the grid through ancillary markets, load following and economic dispatch, and possible integration of secondary systems directly to the NPP for production of additional products through technologies such as hydrogen electrolysis or water desalination. Previous studies have considered the technologies associated with these Integrated Energy Systems (IES) activities, and the analysis of markets for these secondary products. To analyze the economic viability of various system configurations including IES, especially given the uncertainty surrounding load demand, electricity prices, and the availability of VRE resources, the stochastic technoeconomic analysis package HERON (Heuristic Energy Resource Optimization Network) was released earlier this year as an extension of the risk analysis framework RAVEN (Risk Analysis Virtual Environment). HERON focuses foremost on making the complex uncertainty quantification analysis tools approachable for energy systems analysts, also providing general dispatch optimization algorithms for those workflows. HERON continues to be improved and tested as a significant part of the IES viability analyses performed in this work. HERON is not a capacity expansion model. To consider market and grid energy system development in a variety of scenarios, HERON is best used in coupling with modelling tools such as US-REGEN, which sacrifice some of the uncertainty analysis and resolution of HERON's modelling for the ability to efficiently predict the change in the grid energy system's profile due to economic drivers over decades. HERON can then use this information to explore the economic viability of introducing changes to the predicted outcomes, such as the introduction of an IES. In this work, experts at EPRI using US-REGEN provide six projection scenarios for use in HERON stochastic technoeconomic analysis (STEA) in considering the options available for increasing LWR economic viability through introduction of a hydrogen-centric IES using a high-temperature steam electrolysis plant (HTSE), hydrogen storage, and a constant-rate contracted hydrogen consumer. The results obtained are differential in nature; they do not report expected profits for any configuration, but rather report on the possible increase in the NPV of a configuration with respect to a baseline no-IES configuration. Due to the uncertainty captured in the variable net load of the systems, there is likewise uncertainty in the mean values reported. We consider this viability both in terms of a regulated market, where the energy producers and IES are owned and operated by single entity, as well as a deregulated market, where the IES chooses its bid for electricity generation and is then dispatched by the grid system operator. Results indicate that for deregulated markets, the inclusion of the IES is often statistically beneficial. This is especially true in policies that are not favorable towards nuclear, as nuclear is less often dispatched and is forced to deal with frequent idle capacity. In the nominal case as well as the case of carbon tax policies, inclusion of the IES clearly benefited the economic performance of the NPP. In the regulated case, however, there was a trend towards minimizing the IES, likely due to the optimal sizing performed by US-REGEN of the NPP within the system as well as the lack of penalty for idle capacity at the NPP in the regulated market analyses.

99 GENERAL AND MISCELLANEOUS↗

Predicting Thermal Excursions During in situ Oxidative Regeneration of Packed Bed Catalytic Fast Pyrolysis Catalyst

Ex situ catalytic fast pyrolysis (CFP) uses a secondary reactor to upgrade biomass pyrolysis vapors to stabilized CFP oils with reduced oxygen content. In one configuration, the secondary reactor is operated as a packed-bed swing reactor system which allows coke-deactivated beds to be decarbonized in situ while other beds remain online for vapor upgrading. In situ decarbonization must be done carefully to avoid irreversible deactivation and/or physical degradation of catalyst pellets. Given that packed bed reactors are well known to have poor heat transfer characteristics, this is a critical issue impacting scaleability and commercial viability of the technology. To predict thermal excursions during regeneration, finite element computational models have been built to assist in scaling up oxidative decarbonization of a Pt/TiO2 CFP catalyst (0.5 mm spheres) from a bench scale packed bed with 100 g of catalyst to a pilot scale packed bed with 2 kg of catalyst and internal cooling tubes. Based on transient measurements of outlet temperature and effluent CO2 concentration, and using an assumed coke profile and activation energy, this paper demonstrates that specific combinations of effective thermal conductivity and wall heat transfer coefficient can fit bench scale oxidative regeneration data equally well. For the upscaled 2 kg bed, four bench-scale “best fit” parameter pairs give different predictions for location and magnitude of thermal excursions, with the maximum computed bed temperature gradients ranging from 30 °C cm-1 to as high as 3000 °C cm-1. The larger the fraction of heat removal by conduction through the cooling tubes, the greater the differences between the parameter pairs. The modelling results presented in this paper cast doubt on the industrial viability of the proposed combination of catalyst, bed and regeneration process, and point to the need for alternate reactor designs. However, there is considerable uncertainly in some of the key model parameters. The reliability of model predictions can be increased by adding more temperature measurements at key bed locations, testing additional variations in process conditions, performing careful bed dissections to determine the true coke profile, and perhaps most importantly, directly measuring the effective thermal conductivity of the catalyst pellets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Lithiation Gradients and Tortuosity Factors in Thick NMC111-Argyrodite Solid-State Cathodes

Achieving high energy density in all-solid-state lithium batteries will require the design of thick cathodes, and these will need to operate reversibly under normal use conditions. We use high-energy depth-profiling X-ray diffraction to measure the localized lithium content of Li 1-x Ni 1/3 Mn 1/3 Co 1/3 O 2 (NMC111) through the thickness of 110 μm thick composite cathodes. The composite cathodes consisted of NMC111 of varying mass loadings mixed with argyrodite solid electrolyte Li 6 PS 5 Cl (LPSC). During cycling at C/10, substantial lithiation gradients developed, and varying the NMC111 loading altered the nature of these gradients. Microstructural analysis and cathode modeling showed this was due to high tortuosities in the cathodes. This was particularly true in the solid electrolyte phase, which experienced a marked increase in tortuosity factor during the initial charge. Our results demonstrate that current distributions are observed in sulfide-based composites and that these will be an important consideration for practical design of all-solid-state batteries.

25 ENERGY STORAGE↗

Modeling the infrared cascade spectra of small PAHs: the 11.2 μm band

The profile of the 11.2 μm feature of the infrared (IR) cascade emission spectra of polycyclic aromatic hydrocarbon (PAH) molecules is investigated using a vibrational anharmonic method. Several factors are found to affect the profile including: the energy of the initially absorbed ultraviolet (UV) photon, the density of vibrational states, the anharmonic nature of the vibrational modes, the relative intensities of the vibrational modes, the rotational temperature of the molecule, and blending with nearby features. Each of these factors is explored independently and influence either the red or blue wing of the 11.2 μm feature. The majority impact solely the red wing, with the only factor altering the blue wing being the rotational temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Molecular dynamics study of carbon dioxide and nitrogen selectivity through poly[bis((methoxyethoxy)ethoxy)phosphazene] (MEEP) membrane

Here, a molecular dynamics simulation model was developed to comprehensively understand carbon dioxide over nitrogen (CO 2 /N 2 ) selectivity through polyphosphazene-based membrane comprising of poly[bis((methoxyethoxy)ethoxy)phosphazene] (MEEP) selective layer at the molecular level. The effects of temperature, pressure, and initial feed gas composition on the CO 2 transport on a polymer membrane were studied. The computed free energy and density profile of the permeating gas mixture exhibited that CO 2 molecules express higher interactions with the membrane than N 2 molecules, resulting in higher CO 2 /N 2 selectivity. Statistical analysis of gas molecules (CO 2 , water (H 2 O), and N 2 ) transportation suggested that hydro- and CO 2 -philic functional groups in the membrane significantly impact CO 2 permeability and CO 2 /N 2 selectivity. This study suggested that Lewis acid–base and hydrogen bonding combinations contribute to CO 2 permeation and CO 2 /N 2 selectivity. An equal CO 2 /N 2 selectivity was observed with and without water vapor in the feed gas suggesting that water does not hinder CO 2 transport through the membrane.

36 MATERIALS SCIENCE↗

Inversion of dislocation-impurity interactions in α -Fe under magnetic state changes

Here, in this work, we investigate the dislocation-impurity interaction energies and their profiles for various 3d elements —V, Cr, Mn, Cu, Ni, and Co —in and around 1/2 $\langle111\rangle$ screw dislocations in α -Fe using ab initio methods. We consider the ferromagnetic and paramagnetic states, with the latter being modeled through both the disordered local moment model and a spin-wave approach. Our findings reveal that (1) magnetic effects are large compared to size misfit effects of substitutional impurities, and (2) dislocation-impurity interactions are dependent on the magnetic state of the matrix and thermal lattice expansion. In particular, Cu changes from core-attractive in the ferromagnetic state to repulsive in the paramagnetic state.

36 MATERIALS SCIENCE↗

Revealing the Formation of the <20 MeV Inner Proton Radiation Belt at L ∼ 2 During the 10–11 May 2024 Superstorm

A new proton radiation belt was identified during the geomagnetic superstorm of 10–11 May 2024. To investigate its origin, we use an MHD-test particle simulation to model solar energetic proton (SEP) trapping and the evolution of the initial trapped proton population during the storm. The simulation weights the injected SEP population with interplanetary proton measurements and the initial trapped proton radial profile with energy-resolved Weather System Follow-on-Microwave (WSF-M) proton data, enabling quantitative comparison with observations. Results show that SEP contributions are minimal; the new ∼2–18 MeV belt at L ∼ 2 forms mainly through redistribution and energization of the initial trapped population within hours of the CME shock, driven by subsequent electric field impulses, rather than the initial shock alone. These results provide quantitative evidence based on realistic, plasma-dependent field dynamics and significantly advance understanding of inner radiation belt formation.

79 ASTRONOMY AND ASTROPHYSICS↗

A fundamental look at electrocatalytic sulfur reduction reaction

The fundamental kinetics of the electrocatalytic sulfur reduction reaction (SRR), a complex 16-electron conversion process in lithium–sulfur batteries, is so far insufficiently explored. In this study, by directly profiling the activation energies in the multistep SRR, we reveal that the initial reduction of sulfur to the soluble polysulfides is relatively easy owing to the low activation energy, whereas the subsequent conversion of the polysulfides into the insoluble Li 2 S 2 /Li 2 S has a much higher activation energy, contributing to the accumulation of polysulfides and exacerbating the polysulfide shuttling effect. We use heteroatom-doped graphene as a model system to explore electrocatalytic SRR. We show that nitrogen and sulfur dual-doped graphene considerably reduces the activation energy to improve SRR kinetics. Density functional calculations confirm that the doping tunes the p-band centre of the active carbons for an optimal adsorption strength of intermediates and electroactivity. This study establishes electrocatalysis as a promising pathway to tackle the fundamental challenges facing lithium–sulfur batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Green’s function coupled cluster simulation of the near-valence ionizations of DNA-fragments

Accurate description of the ionization process in DNA is crucial to the understanding of the DNA damage under exposure to ionizing radiation and the exploration of the potential application of DNA strands in nanoelectronics. In this work, by employing our recently developed Green’s function coupled-cluster library on supercomputing facilities, we have studied the spectral functions of several guanine–cytosine (G–C) base pair structures ([G–C]n, n = 1–3) for the first time in a relatively broad near-valence regime ([−25.0, −5.0] eV) in the coupled-cluster with singles and doubles level. Our focus is to give a preliminary many-body coupled-cluster understanding and guideline of the vertical ionization energy (VIE), spectral profile, and ionization feature changes of these systems as the system size expands in this near-valence regime. The results show that, as the system size expands, even though the lowest VIEs keep decreasing, the changes of spectral function profile and the relative peak positions get unexpectedly smaller. Further analysis of the ionized states associated with the most intensive peak in the spectral functions reveals non-negligible |2h, 1p⟩’s in the ionized wave functions of the considered G–C base pair systems. The leading |2h, 1p⟩’s associated with the main ionizations from the cytosine part of the G–C base pairs feature a transition from the intra-base-pair cytosine π → π* excitation to the inter-base-pair electron excitation as the size of G–C base pairs expands, which also indicates the minimum quantum region in the many-body calculations of DNA systems.

Peng, Bo (ORCID:0000000242267294)↗

Evidence for current suppression in superconductor–superconductor bilayers

Superconducting radio frequency (SRF) cavities, which are critical components in many particle accelerators, need to be operated in the Meissner state to avoid strong dissipation from magnetic vortices. For a defect-free superconductor, the maximum attainable magnetic field for operation is set by the superheating field, B sh , which directly depends on the surface current. In heterostructures composed of different superconductors, the current in each layer depends not only on the properties of the individual material, but also on the electromagnetic response of the adjacent layers through boundary conditions at the interfaces. Three prototypical bilayers [Nb 1–x Ti x N (50 nm)/Nb, Nb 1–x Ti x N (80 nm)/Nb, and, Nb 1–x Ti x N (160 nm)/Nb] are investigated here by depth-resolved measurements of their Meissner screening profiles using low energy muon spin rotation (LE-µSR). From fits to a model based on London theory (with appropriate boundary and continuity conditions), a magnetic penetration depth for the thin Nb 1–x Ti x N layers of λ Nb 1–x Ti x N = 182.5(31) nm is found, in good agreement with literature values for the bulk alloy. Using the measured λ Nb 1–x Ti x N , the maximum vortex-free field, B max , of the superconductor-superconductor (SS) bilayer structure was estimated to be 610(40) mT. The strong suppression of the surface current in the Nb 1–x Ti x N layer suggests an optimal thickness of ~ 1.4λ Nb 1–x Ti x N = 261(14) nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ion temperature clamping in Wendelstein 7-X electron cyclotron heated plasmas

The neoclassical transport optimization of the Wendelstein 7-X stellarator has not resulted in the predicted high energy confinement of gas fueled electron-cyclotron-resonance-heated (ECRH) plasmas as modelled in (Turkin et al 2011 Phys. Plasmas 18 022505) due to high levels of turbulent heat transport observed in the experiments. The electron-turbulent-heat transport appears non-stiff and is of the electron temperature gradient (ETG)/ion temperature gradient (ITG) type (Weir et al 2021 Nucl. Fusion 61 056001). As a result, the electron temperature T e can be varied freely from 1 keV–10 keV within the range of P ECRH = 1–7 MW, with electron density n e values from 0.1–1.5 × 10 20 m –3 . By contrast, in combination with the broad electron-to-ion energy-exchange heating profile in ECRH plasmas, ion-turbulent-heat transport leads to clamping of the central ion temperature at T i ~ 1.5 keV ± 0.2 keV. In a dedicated ECRH power scan at a constant density of $\langle n_{e} \rangle$ = 7 × 10 19 m –3 , an apparent 'negative ion temperature profile stiffness' was found in the central plasma for (r/a < 0.5), in which the normalized gradient ∇T i /T i decreases with increasing ion heat flux. The experiment was conducted in helium, which has a higher radiative density limit compared to hydrogen, allowing a broader power scan. This 'negative stiffness' is due to a strong exacerbation of turbulent transport with an increasing ratio of T e /T i in this electron-heated plasma. This finding is consistent with electrostatic microinstabilities, such as ITG-driven turbulence. Theoretical calculations made by both linear and nonlinear gyro-kinetic simulations performed by the GENE code in the W7-X three-dimensional geometry show a strong enhancement of turbulence with an increasing ratio of T e /T i . The exacerbation of turbulence with increasing T e /T i is also found in tokamaks and inherently enhances ion heat transport in electron-heated plasmas. This finding strongly affects the prospects of future high-performance gas-fueled ECRH scenarios in W7-X and imposes a requirement for turbulence-suppression techniques.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Viscous Gubser flow with conserved charges to benchmark fluid simulations

We present semi-analytical solutions for the evolution of both the temperature and chemical potentials for viscous Gubser flow with conserved charges. Such a solution can be especially useful in testing numerical codes intended to simulate relativistic fluids with large chemical potentials. The freeze-out hypersurface profiles for constant energy density are calculated, along with the corresponding normal vectors, and presented as a new unit test for numerical codes. We also compare the influence of the equation of state on the semi-analytical solutions. We benchmark the newly developed smoothed particle hydrodynamics code ccake that includes both shear viscosity and three conserved charges. Here, the numerical solutions are in excellent agreement with the semi-analytical solution and are also able to accurately reproduce the hypersurface at freeze-out.

Hydrodynamic models↗

TRINIDI: Time-of-Flight Resonance Imaging With Neutrons for Isotopic Density Inference

Accurate reconstruction of 2D and 3D isotope densities is a desired capability with great potential impact in applications such as evaluation and development of next-generation nuclear fuels. Neutron time-of-flight (TOF) resonance imaging offers a potential approach by exploiting the characteristic neutron absorption spectra of each isotope. However, it is a major challenge to compute quantitatively accurate images due to a variety of confounding effects such as severe Poisson noise, background scatter, beam non-uniformity, absorption non-linearity, and extended source pulse duration. We present the TRINIDI algorithm which is based on a two-step process in which we first estimate the neutron flux and background counts, and then reconstruct the areal densities of each isotope and pixel. Both components are based on the inversion of a forward model that accounts for the highly non-linear absorption, energy-dependent emission profile, and Poisson noise, while also modeling the substantial spatio-temporal variation of the background and flux. Further, to do this, we formulate the non-linear inverse problem as two optimization problems that are solved in sequence. We demonstrate on both synthetic and measured data that TRINIDI can reconstruct quantitatively accurate 2D views of isotopic areal density that can then be reconstructed into quantitatively accurate 3D volumes of isotopic volumetric density.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Warm air intrusions reaching the MOSAiC expedition in April 2020—The YOPP targeted observing period (TOP)

In the spring period of the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition, an initiative was in place to increase the radiosounding frequency during warm air intrusions in the Atlantic Arctic sector. Two episodes with increased surface temperatures were captured during April 12–22, 2020, during a targeted observing period (TOP). The large-scale circulation efficiently guided the pulses of warm air into the Arctic and the observed surface temperature increased from -30°C to near melting conditions marking the transition to spring, as the temperatures did not return to values below -20°C. Back-trajectory analysis identifies 3 pathways for the transport. For the first temperature maximum, the circulation guided the airmass over the Atlantic to the northern Norwegian coast and then to the MOSAiC site. The second pathway was from the south, and it passed over the Greenland ice sheet and arrived at the observational site as a warm but dry airmass due to precipitation on the windward side. The third pathway was along the Greenland coast and the arriving airmass was both warm and moist. The back trajectories originating from pressure levels between 700 and 900 hPa line up vertically, which is somewhat surprising in this dynamically active environment. The processes acting along the trajectory originating from 800 hPa at the MOSAIC site are analyzed. Vertical profiles and surface energy exchange are presented to depict the airmass transformation based on ERA5 reanalysis fields. The TOP could be used for model evaluation and Lagrangian model studies to improve the representation of the small-scale physical processes that are important for airmass transformation. A comparison between MOSAiC observations and ERA5 reanalysis demonstrates challenges in the representation of small-scale processes, such as turbulence and the contributions to various terms of the surface energy budget, that are often misrepresented in numerical weather prediction and climate models.

54 ENVIRONMENTAL SCIENCES↗

Relativistically Induced Transparency in Plasma (Final Research Report)

The major goal of this project was to study the process of relativistic transparency in plasmas. This process occurs when a very high intensity laser pulse interacts with a plasma. The electric field of the laser oscillates the electron speeds approaching the speed of light, increasing the effective mass of the electrons by the time-averaged Lorentz factor <γ>. The increase in the effective mass alters the critical density, the density at which the plasma becomes opaque to the electromagnetic wave of the laser. This project used experiments and particle-in-cell simulations to study this process in ultra-thin foil interactions. Experiments were performed through the LaserNetUS program on the Ohio State University laser system Scarlet. The transmitted and reflected light was studied as a function of the target thickness, the near-field profiles, the total energy and pulse duration were measured. Particle-in-cell simulations, using the OSIRIS code were used to model the interaction and better understand the dynamics. The results of both show current relativistic transparency theory is insufficient to predict the results, this is likely because the theories do not account for the laser energy absorption into the target and global plasma fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗