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DOE OSTI2022

SPARC 3D Field Physics and Support of the Non-Axisymmetric Coil Assessment

Commonwealth Fusion Systems (CFS) is deploying SPARC, a net-energy tokamak, by 2025. A notable challenge facing all tokamak approaches to fusion energy production is maintaining a stable plasma and thereby steady energy production. “Disruptions” to plasma operation are often encountered in devices when they operate at high normalized pressure, high normalized density, or high normalized current. SPARC is unique in that it is expected to demonstrate Q>=2 in a plasma with low normalized pressure and density, but with a more modest current limit buffer sufficient to avoid disruptions. Due to both the high normalized current and high magnetic field of the SPARC design, it is expected to decrease its relative resilience to instabilities driven by non-axisymmetry in the externally applied magnetic field, termed ‘error fields’. To prevent error field driven instabilities, a primary line of defense is strict engineering tolerances in magnet fabrication and installation. A secondary line of defense is a purpose-built set of magnetic coils to correct these errors, termed error field correction coils (EFCCs). The overarching goals of this INFUSE project were to evaluate the effectiveness of the EFCCs in the SPARC design and provide guidance as to how to improve this effectiveness.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Interleaved Cuk Converter Wave Energy System With Advanced Control and Grid Support Functions for Seamless Integration

This paper presents an innovative wave energy conversion system that integrates an interleaved Cuk converter with advanced nonlinear control for seamless grid integration. The system efficiently extracts power on the DC side using the interleaved Cuk converter, while an inverter manages power transfer to the grid or load on the AC side. A nonlinear control architecture, based on the Lyapunov energy function, ensures stable and optimal operation under varying wave conditions, effectively addressing the challenges of variability and unpredictability inherent in wave energy. The proposed system also incorporates features to enhance power quality and minimize losses, making it a robust solution for renewable energy integration. The system's effectiveness in harnessing wave energy and achieving smooth grid integration is validated through comprehensive computer simulations in MATLAB/Simulink, with case study results demonstrating its capabilities.

HYDRO ENERGY,TIDAL AND WAVE POWER↗

DOE OSTI2023

Quantum defects in silicon

The dataset used in the publication titled “High-throughput identification of spin-photon interfaces in silicon. Using an automated first-principles computational workflow, we construct a dataset that details simple charged defects in silicon that are relevant for spin-photon interface applications. It encompasses properties vital for quantum defect design, including charged defect stability, excitation energy (determined using the single-shot hybrid functional approach), emission brightness, electronic structures, and more. The dataset encompasses all charged defects stable within the energy gap. We emphasized the importance of defect-bound excitons as telecom band emitters and proposed promising candidates for spin-photon interfaces.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Entropy Stabilization Effects and Ion Migration in 3D “Hollow” Halide Perovskites

A recently discovered new family of 3D halide perovskites with the general formula (A) 1–x (en) x (Pb) 1–0.7x (X) 3–0.4x (A = MA, FA; X = Br, I; MA = methylammonium, FA = formamidinium, en = ethylenediammonium) is referred to as “hollow” perovskites owing to extensive Pb and X vacancies created on incorporation of en cations in the 3D network. The “hollow” motif allows fine tuning of optical, electronic, and transport properties and bestowing good environmental stability proportional to en loading. To shed light on the origin of the apparent stability of these materials, we performed detailed thermochemical studies, using room temperature solution calorimetry combined with density functional theory simulations on three different families of “hollow” perovskites namely en/FAPbI 3 , en/MAPbI 3 , and en/FAPbBr 3 . We found that the bromide perovskites are more energetically stable compared to iodide perovskites in the FA-based hollow compounds, as shown by the measured enthalpies of formation and the calculated formation energies. The least stable FAPbI 3 gains stability on incorporation of the en cation, whereas FAPbBr 3 becomes less stable with en loading. This behavior is attributed to the difference in the 3D cage size in the bromide and iodide perovskites. Configurational entropy, which arises from randomly distributed cation and anion vacancies, plays a significant role in stabilizing these “hollow” perovskite structures despite small differences in their formation enthalpies. With the increased vacancy defect population, we have also examined halide ion migration in the FA-based “hollow” perovskites and found that the migration energy barriers become smaller with the increasing en content.

36 MATERIALS SCIENCE↗

NASA NTRS1994

The Fraternal Twins of Quartet O4(+)

Eleven stationary geometries of quartet O4(+) have been studied by ab initio methods. The geometries were optimized at the Complete Active Space Self-Consistent Field (CASSCF) level of theory and the energies were calculated by the multiconfigurational second order pertubation method (CASPT2), using Double-Zeta Plus polarization (DZP), Triple-Zeta Plus Double Polarization (TZ2P), average Atomic Natural Orbital (ANO) (5s4p2d) and average ANO (6s5p3d2f) basis sets. The rectangular and trans-planar structures are found to be the most stable, with an energy barrier to conversion between the two at the threshold of dissociation. Both have a delocalized hole and are stable relative to separated 02 and 02(+)by 11.0 and 11.5 kcal/mol for the rectangular and the 2 trans-planar structure, respectively, compared with the experimentally deduced energy in the range of 9.2 to 10.8 kcal/mol. The adiabatic ionization potentials of 04 and 02 are computed to be 11.67 and 12.21 eV, while experimental values are 11.66 and 12.07 eV, respectively. The vibrational frequencies have been computed for all degrees of freedom at the CASSCF level of theory. Symmetry breaking is found to be a particular problem in the computation of the antisymmetric stretch frequency for the delocalized structures at the CASSCF level of theory. Attempts to rectify these problems using the restricted active space self-consistent field (RASSCF) method leads to additional difficulties, but further analysis yields insight into the symmetry breaking and problems with earlier calculations. Finally, a nonorthogonal configuration interaction (CI) calculation based on the interaction of localized CASSCF wave functions using the Complete Active Space State Interation (CASSI) method leads to a balanced treatment of the antisymmetric stretch which is free from symmetry breaking. The study explains the four most prominent absorption frequencies observed in the partially unassigned IR spectrum of O4(+) isolated in solid neon as the antisymmetric OO stretch, and the combination band of the symmetric and antisymmetric 00 stretch of both the rectangular and trans-planar structures.

Lindh, Roland↗

DOE OSTI2024

Interleaved Cuk Converter Wave Energy System With Advanced Control and Grid Support Functions for Seamless Integration: Preprint

This paper presents an innovative wave energy conversion system employing an interleaved Cuk converter and advanced nonlinear control for seamless integration with the grid. The proposed system utilizes the interleaved Cuk converter for efficient power extraction on the DC side, while an inverter facilitates power transfer to the grid or load on the AC side. A sophisticated nonlinear control architecture based on Lyapunov energy functions ensures stable and optimal operation under varying wave conditions. Case study results demonstrate the effectiveness of the proposed system, highlighting its ability to efficiently harness wave energy and seamlessly integrate with the grid, thus paving the way for sustainable and reliable renewable energy generation. The overall system is verified via computer simulations based on MATLAB/Simulink and various case study results are presented.

HYDRO ENERGY,TIDAL AND WAVE POWER↗

DOE OSTI2020

Structural Rearrangements of Subnanometer Cu Oxide Clusters Govern Catalytic Oxidation

Sub-nanometer metal oxide clusters are very important materials that are widely used, for example, in catalysis or electronic devices such as sensors. Hence, it is critical to understand the atomic structures and properties of sub-nanometer metal oxide clusters under a reactive gas environment, such as O 2 . We consider here experimentally accessible precise-size Cu clusters (Cu 4 ) supported on partially hydroxylated amorphous alumina and show that such clusters can access, in catalytic conditions at high temperature under a pressure of O 2 , a large ensemble of oxidized structures, representing a large variety of oxygen content, of geometries in link with the support, and of catalytic activities for oxidation reactions, as seen from their reducibilities. A grand canonical basin hopping method based on first-principles energy reveals an ensemble of 24 configurations for the Cu 4 O x cluster of low free energy, less than 0.8 eV above the global minimum. The low free energy ensemble consists of clusters of different stoichiometries, which are mainly Cu 4 O 3 and Cu 4 O 4 in the temperature range of 200–400 °C and under a pressure of 0.5 bar of O 2 . The presence of several competitive isomers at each composition implies that cluster fluxionality impacts the phase diagram, which should be ensemble-averaged. In terms of catalytic oxidation activity, Cu 4 O 3 isomers present highly variable O abstraction energy: the most stable isomers are inactive for alkane oxidative dehydrogenation, but isomerization to metastable isomers, that proceed with low barrier, enable to create active configurations with low O abstraction energy. O atoms with the lowest anionic character, and thus of more electrophilic nature, present the best oxidation capability. In contrast, all Cu 4 O 4 isomers show a low O abstraction energy and a high potential catalytic activity. Here, this manuscript demonstrates the unique structural and electronic properties of sub-nano Cu oxide clusters and illustrates the critical roles of configuration ensembles and rearrangement to highly reactive metastable cluster isomers in nanocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Accomplishments and challenges of metrics for sustainable energy, population, and economics as illustrated through three countries

The global Sustainable Development Goals require meeting multiple objectives on energy, population, economics, and ecosystems. Development and economic growth as defined by current metrics requires energy inputs, yet energy growth can also increase negative impacts on natural systems. To achieve sustainable development goals, policymakers and technologists will need energy system solutions that consider not only cost and efficiency but also population, quality of life, natural ecosystems, and culture that accommodates different starting points and transition timelines of various countries. To explore possible approaches, this perspectives paper summarizes energy in the context of economic growth and population, illustrating concepts through the diverse status and direction of three countries--Japan, the United States, and Bangladesh--as potential views into a post-growth sustainable future. Four fundamental questions on long-term energy development are identified, related to optimal energy use per capita, sustainable global energy demand, managing an energy transition with stable population, and the need for generalizable approaches across countries.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS2021

Long-term Pulse Period Evolution of the Ultra-luminous X-ray Pulsar NGC 7793 P13

Ultra-luminous X-ray pulsars (ULXPs) provide a unique opportunity to study persistent super-Eddington accretion. Here we present the results of a long-term monitoring campaign of ULXP NGC 7793 P13, focusing on the pulse period evolution and the determination of the orbital ephemeris. Over our four year monitoring campaign with Swift, XMM-Newton, and NuSTAR, we measure a continuous spin-up with an average value of ̇P≈−3.8×10−11s s−1. We find that the strength of the spin-up is independent of the observed X-ray flux, indicating that despite a drop in observed flux in 2019, accretion onto the source has continued at largely similar rates. The source entered an apparent off-state in early 2020, which might have resulted in a change of the accretion geometry as no pulsations were found in observations in July/August 2020.We use the long-term monitoring to update the orbital ephemeris, as well as the periodicities seen in both the observed optical/UV and X-ray fluxes. We find that the optical/UV period is very stable over the years, with PUV=63.75+0.17−0.12d. The best-fit orbital period determined from our X-ray timing results is 64.86±0.19 d, almost a day longer than previously implied, and the X-ray flux period is65.21±0.15 d, slightly shorter than measured previously. The physical origin of these different flux periods is currently unknown. We study the hardness ratio of the XMM-Newton and NuSTAR data between 2013–2020 to search for indications of spectral changes. We find that the hardness ratios at high energies are very stable and not directly correlated with the observed flux. At lower energies we observe a small hardening with increased flux, which might indicate increased obscuration through outflows at higher luminosities. Comparing the changes in flux with the observed pulsed fraction, we find that the pulsed fraction is significantly higher at low fluxes. This seems to imply that the accretion geometry already changed before the source entered the deep off-state. We discuss possible scenarios to explain this behavior, which is likely driven by a precessing accretion disk.

Neutron stars↗

DOE OSTI2026

Harnessing Ocean Thermal Gradients Using Thermoelectric Based Submersibles for Ocean Power Applications

The urgent need for energy solutions in marine environments has accelerated the development of innovative technologies capable of leveraging natural resources for power generation. This study introduces a buoyancy-driven submersible system designed to harness ocean thermal gradients using thermoelectric generators (TEGs) and phase change materials (PCMs). The technology aims to provide autonomous power to offshore aquaculture farms, unmanned underwater vehicles (UUVs), offshore platform illumination, and ocean sensors, significantly reducing dependence on fossil fuels. Ocean thermal gradients, especially prevalent in mid-latitude regions, exhibit temperature differences between surface and deep waters ranging from 7 degrees Celsius to 30 degrees Celsius depending on seasonal variations. The proposed submersible technology utilizes TEGs to convert thermal energy from these gradients into electrical power, generating between 0.2 and 0.5 watts, while PCMs are employed to store and regulate this energy, ensuring a stable and continuous power supply. The buoyancy-driven mechanism of the submersible enhances its capability to navigate through varying depths, optimizing its exposure to different thermal gradients and maximizing energy harvesting. The performance of this submersible system is analyzed through detailed thermodynamic assessments and computational fluid dynamics (CFD) modeling focused on heat transfer. These analyzes consider real-world ocean temperature profiles and seek to refine the interaction between TEGs and PCMs to optimize energy extraction. The evaluation encompasses several key performance metrics, including power output and energy efficiency. Results confirm the potential of this innovative technology to provide a continuous and reliable power source for marine applications. By demonstrating the feasibility of using ocean thermal gradients for energy generation, this study contributes to the broader efforts of innovation in energy technologies for harsh, remote marine environments. The implementation of such promises is significant advancements in the autonomy of marine operations. The ongoing research will further investigate scalability ensuring that the system can be effectively adapted to various marine settings and operational demands.

16 TIDAL AND WAVE POWER↗

DOE OSTI2024

Investigation of Fe-Ni Battery/Module for Grid Service Duty Cycles

Iron–nickel (Fe-Ni) batteries are renowned for their durability and resilience against overcharging and operating temperatures. However, they encounter challenges in achieving widespread adoption for energy storage applications due to their low efficiency and the need for regular maintenance and electrolyte replacement, which adds to maintenance costs. This study evaluates and demonstrates the capabilities of Fe-Ni batteries for participating in grid energy storage applications. Stable performance was observed frequency regulation (FR) testing at 100% and 50% state of charge (SOC)s, while at 50% SOC, there was a 14% increase in efficiency compared to 100% SOC. Although 25% SOC achieved higher efficiency, limited cyclability was observed due to reaching the discharge cutoff voltage. Optimal SOC selection, battery monitoring, maintenance, and appropriate charging strategies of Fe-Ni batteries seem to be crucial for their FR applications. Fe-Ni batteries exhibit stable peak shaving (PS) results, indicating their suitability and reliability under various load conditions for PS testing. Extended cycling tests confirm their potential for long-term grid-scale energy storage, enhancing their appeal for PS and FR applications.

25 ENERGY STORAGE↗

DOE OSTI2025

Evolving Dark Sector and the Dark Dimension Scenario

String theory naturally leads to the expectation that dark energy is not stable, and may be evolving as captured by the Swampland de Sitter conjectures. Moreover, motivated by the distance conjecture, a unification of dark sector has been proposed, where the smallness of dark energy leads to one extra dimension of micron size with dark matter being the Kaluza--Klein graviton excitations in this extra dimension. We consider the natural possibility that the radius of the dark dimension varies as the dark energy decreases, leading to the variation of the dark matter mass. This correlates the decrease of the dark energy with the variation of the dark matter mass as they depend on the variations of a scalar field $ϕ$ controlling the radius of the extra dimension. A simple realization of this idea for small range of $ϕ$ is adequately captured by choosing a potential which is locally of the form $V=V_0\ {\rm exp}(-cϕ)$ and dark matter mass $m_{\rm DM}=m_0\ {\rm exp}(-c' ϕ)$ where the sign of $ϕ$ is chosen such that $c'\geq 0$ while we have two choices for the sign of $c$ depending on whether the dark dimension expands or shrinks when the dark energy dominates. We find excellent agreement with recent experimental data from DESI DR2 combined with SN measurements (from DES, Union3 or Pantheon+) and reproduces the same significance as CPL parametrization with the added benefit of providing a natural explanation for the apparent phantom behavior ($w<-1$) reported by DESI and DES based on a physical model. DESI and SN datasets independently favor non-zero values of $c'$ and $c$, respectively, both lying within the expected $\mathcal{O}(1)$ range suggested by the Swampland criteria. Moreover, our best fit value $c'\simeq 0.05 \pm 0.01$ is remarkably consistent with the experimental upper bound of $c'\lesssim 0.2$ demanded by the lack of detection of fifth force in the dark sector.

Cosmology and Nongalactic Astrophysics (astro-ph.C↗

DOE OSTI2022

High Energy Density Aqueous Flow Battery Utilizing Extremely Stable, Branching-Induced High-Solubility Anthraquinone near Neutral pH

An anthraquinone featuring a chiral carboxylate-capped methyl-branched side chain with an ether linkage, 2,2'-((9,10-dioxo-9,10-dihydroanthracene-2,6-diyl)bis(oxy))dipropionic acid (2,6-D2PEAQ), was synthesized and evaluated for use in aqueous redox flow batteries. It was found to have an extraordinary solubility of 2 M (4 M electrons), corresponding to a theoretical volumetric capacity of 107.2 Ah/L for the negative electrolyte, which is 10 times that of its unbranched counterpart. The 2,6-D2PEAQ molecule demonstrated stability against thermal 2 decomposition and was extremely stable under cell cycling conditions. Here, a capacity fade rate of 0.02% day over 14 days was demonstrated in a 1.1 M 2,6-D2PEAQ nearly capacity-balanced cell when paired with a ferro-/ferricyanide posolyte at pH 7. Compared to other aqueous redoxactive organic molecules, its demonstrated fade rate is lower than that of any molecule with a demonstrated volumetric capacity of ≥55 Ah/L, and its volumetric capacity is greater than that of any molecule with a demonstrated fade rate of ≤0.5%/day.

25 ENERGY STORAGE↗

DOE OSTI2024

Stable Deuterium-Tritium plasmas with improved confinement in the presence of energetic-ion instabilities

Providing stable and clean energy sources is a necessity for the increasing demands of humanity. Energy produced by Deuterium (D) and Tritium (T) fusion reactions, in particular in tokamaks, is a promising path towards that goal. However, there is little experience with plasmas formed by D-T mixtures, since most of the experiments are currently performed in pure D. After more than 20 years, the Joint European Torus (JET) has carried out new D-T experiments with the aim of exploring some of the unique characteristics expected in future fusion reactors, such as the presence of highly energetic ions in low plasma rotation conditions. A new stable, high confinement and impurity-free D-T regime, with reduction of energy losses with respect to D, has been found. Multiscale physics mechanisms critically determine the thermal confinement. These crucial achievements importantly contribute to the establishment of fusion energy generation as an alternative to fossil fuels.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Enhancing Power Resilience for Remote Communities: A Comprehensive Renewable Energy Solution for Itbayat Island

The island of Itbayat, Philippines, faces significant challenges in maintaining a reliable and resilient power supply due to its current reliance on a vulnerable power distribution system managed by a local electric cooperative. The existing infrastructure, which includes diesel generators and a radial network configuration with some above-ground lines, is highly susceptible to frequent typhoons and adverse weather conditions. These factors, combined with inadequate staffing and high operational costs, result in frequent power outages that disrupt daily life and hinder economic development. This white paper proposes a comprehensive solution to enhance the resilience and reliability of Itbayat's power system by integrating renewable energy sources, specifically solar photovoltaic (PV) systems, battery storage, and a microgrid controller. The proposed solution aims to reduce dependency on diesel fuel, optimize energy use, and provide a sustainable and robust power supply for the island. Key components of the solution include: 1. Solar PV Installation: Deploying solar PV panels to harness abundant solar energy, reducing reliance on diesel fuel. 2. Battery Storage Systems: Installing battery storage to store excess solar energy and ensure a continuous power supply during low solar generation periods. 3. Microgrid Controller: Implementing a microgrid controller to manage and optimize the integration of solar PV, battery storage, and existing diesel generators. The proposed solution addresses several critical issues, including system vulnerability, generator dependency, and operational inefficiencies. By adopting this innovative approach, Itbayat Island can achieve a more resilient, efficient, and sustainable energy infrastructure, ensuring a stable power supply for its residents and enhancing overall energy security.

14 SOLAR ENERGY↗

DOE OSTI2023

The Seismic Signature of a High-Energy Density Physics Laboratory and Its Potential for Measuring Time-Dependent Velocity Structure

The Z Machine at Sandia National Laboratories is a pulsed power facility for high-energy density physics experiments that can shock materials to extreme temperatures and pressures through a focused energy release of up to ~ 25 MJ in < 100 nanoseconds. It has been in operation for more than two decades and conducts up to ~ 100 experiments, or “shots,” per year. Based on a set of 74 known shot times from 2018, we determined that Z Machine shots produce detectable ~ 3–17 Hz ground motion 12 km away at the Albuquerque Seismological Laboratory, New Mexico (ANMO), borehole seismograph, with peak signal at ~ 7 Hz. The known shot waveforms were used to create a three-component template, leading to the detection of 2339 Z Machine shots since 1998 through single-station cross-correlation. Local seismic magnitude estimates range from local magnitude (M L ) —2 to —1.3 and indicate that only a small fraction of the shot energy is transmitted by seismic phases observable at 12 km distance. The most recent major facility renovation, which was intended to decrease mechanical dissipation, is associated with an abrupt decrease in observed seismic amplitudes at ANMO despite stable maximum shot energy. The highly repetitive impulsive sources are well suited to coda-wave interferometry to investigate time-dependent velocity structures. Relative velocity variations (dv/v) show an annual cycle with amplitude of ~ 0.2%. Local minima are observed in the late spring, and dv/v increases through the summer monsoon rainfall, possibly reflecting patchy saturation as rainfall infiltrates near the eastern edge of the Albuquerque basin. Importantly, the cumulative results demonstrate that forensic seismology can provide insight into long-term operation of facilities such as pulsed-power laboratories, and that their recurring signals may be valuable for studies of time-dependent structure

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Measurement and Control of Beam Energy at the Fermilab 400 MeV Transfer Line

Linac is the first machine in the Accelerator chain at Fermilab where particles are accelerated from 35 keV to 400 MeV and travel to the Booster where they are stripped of the extra electrons to become protons. Tuning Linac is performed using diagnostics to ensure stable intensity and energy while minimizing uncontrolled particle loss. I have been revisiting diagnostics in the Linac in order to understand their signals and to ensure their data is reliable. I revisited Beam Loss Monitors (BLMs) for the loss data confidence. For the confidence of energy data there were two approaches. The first approach was time-of-flight measurements using Beam Position Monitors (BPMs) and beam velocity stripline pick-up that provides beam phase data. The second approach used the relation between beam position data from BPMs and dispersion values from MAD-X simulation to calculate energy. Our goal after understanding the data from the Linac diagnostics and finding the data reliable is to control the L inac parameters using Machine Learning techniques to increase the reliability and quality of beam delivered from Linac.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Stable Lithium Plating in “Lithium Metal-Free” Solid-State Batteries Enabled by Seeded Lithium Nucleation

In the “Li 0 -free” architecture, cells are manufactured with a bare anode current collector and the Li metal anode is plated in situ during the first charging step. While this architecture has many attractive qualities from manufacturing and energy density perspectives, stable Li plating in solid-state “Li 0 -free” cells can be challenging. It is generally accepted that the Li overpotential affects Li homogeneity in “Li 0 -free” cells. We demonstrate that the nucleation overpotential for Li plating in solid-state “Li 0 -free” cells using commercial current collectors can be eliminated by introducing metal clusters that guide Li nucleation. Au is used as model alloying metal cluster. Here, we demonstrate stable Li plating with thickness 16.5 μ m (3.3 mAh cm −2 ) in oxide solid-state electrolyte “Li 0 -free” cells enabled by Au metal clusters. It is shown that 97% of the in situ plated Li can be reversibly stripped at 60 °C and 2.5 MPa. Conversely, Au interlayers which are flat and continuous instead of clustered in morphology consistently showed short-circuiting during in situ Li plating, limiting Li electrodeposition to <0.1 mAh cm −2 . These results can help guide future studies of Li nucleation and growth at solid/solid interfaces, as well as offer alternative manufacturing pathways for “Li 0 -free” solid-state batteries.

25 ENERGY STORAGE↗