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DOE OSTI2025

Metastable‐State Photoacids with Fast Reverse Reactions

Metastable-state photoacid (mPAH) has become a common tool for controlling and driving chemical processes with light. mPAHs with fast reverse reactions are desirable for precise temporal control or generating quick pulses of proton concentration. Here, in this work, different approaches towards fast reversing mPAHs are studied. Experimental and computational results showed that stabilizing the charge–transfer intermediate is an effective way to increase the rate. A novel mPAH with a reverse reaction ≈500 times faster than the most used mPAH in methanol is developed. Another water-soluble mPAH showed a reverse reaction with a rate constant of 7.8 s −1 , which is the fastest ever reported. The half-life of the acidic state is calculated to be 89 ms, which allowed to demonstrate sub-second switching using this mPAH.

Abbood, Rana [Florida Institute of Technology, Mel↗

DOE OSTI2025

An Algal Nutrient‐Replete, Optimized Medium for Fast Growth and High Triacylglycerol Accumulation

Microalgae are promising sources to sustainably meet the global needs for energy and products. Algae grow under different trophic conditions, where nutritional status regulates biosynthetic pathways, energy production, and growth. The green alga Chromochloris zofingiensis has strong economic potential because it co-produces biofuel precursors and the high-value antioxidant astaxanthin while accumulating biomass when grown mixotrophically. As an emerging reference alga for photosynthesis, metabolism, and bioproduction, C. zofingiensis needs a defined, optimized medium to standardize experiments during fast growth for batch cultivation. Because the interplay of glucose treatment (+Glc) and mineral deficiency influences photosynthesis, growth, and the production of lipids and astaxanthin, we designed a replete nutrient medium tailored to the C. zofingiensis cellular ionome. We combined inductively coupled plasma mass spectrometry (ICP-MS) and +Glc growth curves to determine a medium that is nutrient replete for at least 5 days of +Glc logarithmic growth. We found that there are high nutritional needs for phosphorus and sulfur during mixotrophy. Iron was the only element measured for which the cellular concentration correlated with exogenous concentration and was iteratively adjusted until the cellular ionome was consistent through the logarithmic growth phase. This Chromochloris-Optimized Ratio of Elements (CORE) medium supports fast growth and high biomass and lipid accumulation without causing excess nutrient toxicity. This defined, nutrient-replete standard is important for future C. zofingiensis investigations and can be adapted for other species to support high biomass for batch cultivation. The method used to develop CORE medium shows how ionomics informs replicable media design and may be applied in industrial settings to inform cost-effective biofuel production.

Jeffers, Tim L. [University of California, Berkele↗

DOE OSTI2026

Intramolecular redox-site interplay effect on organic electrode for fast-charging and wide-temperature-range sodium-ion batteries

Organic electrode materials (OEMs) hold great promise for sodium-ion batteries (SIBs) due to their exceptional structural tunability and sustainability. However, the development of OEMs with fast redox kinetics and robust structural integrity remains challenging, especially over a wide temperature range. Herein, we propose an effective strategy to address both sluggish redox kinetics and insufficient structural stability in OEMs by constructing an intramolecular redox-site interplay effect. This effect is demonstrated by two hexaazatrinaphthylene-carboxylate isomers, namely HATN-m-COONa and HATN-o-COONa. Systematic experimental and computational results jointly reveal the intramolecular redox-site interplay effect in HATN-o-COONa decreases the rigid π-π stacking interactions and minimizes the skeleton structural distortion, offering faster redox kinetics and enhanced structural integrity in HATN-o-COONa compared to HATN-m-COONa (without intramolecular redox-site interplay effect). Consequently, HATN-o-COONa exhibits superior rate performance (258 mA h g−1 at 10 A g−1) and enhanced cycle stability (93% after 1000 cycles at 5 A g−1) compared to HATN-m-COONa. More importantly, HATN-o-COONa demonstrates exceptional wide-temperature adaptability, ranging from -40 °C (315 mA h g−1 at 0.1 A g−1) to 60 oC (343 mAh g-1 at 5 A g-1). This work establishes a promising design rationale for developing fast-charging and wide-temperature adaptable OEMs for energy storage systems.

Gao, Yawei [ORNL] (ORCID:0000000225672853)↗

DOE OSTI2025

Comparative analysis of new crystal and plastic scintillators for fast and thermal neutron detection

This paper considers scintillation and physical properties of efficient organic scintillators tested as single crystals and as components of plastics with pulse shape discrimination (PSD). For the first time, single crystals of 9,9-dimethyl-2-phenyl-9H-fluorene (PhF) were grown for studies of the basic scintillation properties of this new compound. Comparison to classical organic crystals, like anthracene, trans-stilbene, and p-terphenyl, and to more recently introduced organic glass showed that the new crystal belongs to a group of the most efficient scintillators, with light output exceeding that of trans-stilbene and PSD comparable to that of p-terphenyl. Furthermore, additional studies were conducted to evaluate scintillation performance and physical properties, like hardness and dye leaching, of plastic scintillators prepared with PhF, organic glass, and liquid diisopropylnaphthalene (DIPN) that were considered as examples for potential replacement of PPO (2,5-diphenyloxazole) in current commercial PSD plastic scintillators. Comparison of the highest performing plastic scintillators prepared with these dyes shows that PhF formulations produced a record light output (LO) increase of 69 % relative to EJ-200. Similar improvements obtained with 6 Li-loaded formulations showed that future development of PSD plastics should not be limited to use of PPO but must involve the search and exploration of new efficient dyes that may lead to discovery of much brighter organic scintillators with improved physical properties required for fast and thermal neutron detection, fast neutron spectroscopy, and antineutrino detection applications.

9,9-dimethyl-2-phenyl-9H-fluorene↗

DOE OSTI2025

Benchmarking fast-neutron response of 7 Li-enriched C 7 LYC scintillators: Simulations and experiment

New insights into the fast neutron response of 7 Li-enriched C 7 LYC scintillators have been obtained through detailed Geant4 simulations of 35 Cl(n,p) and 35 Cl(n, α) reactions that are primarily responsible for the fast neutron response of C 7 LYC. The light output of a 1” x1” C 7 LYC detector was simulated using the Birks equation for light quenching in scintillators. The simulations were benchmarked against neutron scattering data from a 12 C target obtained with a white neutron beam at the Los Alamos LANSCE facility and fourteen 1”x1” C 7 LYC detectors. Incident neutron energies extracted from time-of-flight measurements, and appropriate recoil corrections for the different detector angles were used to map the response of C 7 LYC to mono-energetic neutrons. Resonances in the 35 Cl(n,p) reaction cross-section below 3 MeV incident neutron energy were directly observed in C 7 LYC. The experimental data and simulations are compared with ENDF databases, as well as recent direct cross-section measurements of neutrons scattered from a 35 Cl target. In conclusion, the results suggest a scrutiny of the 35 Cl(n,p) and 35 Cl(n, α) cross sections at low energy in the ENDF library.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

LaBr 3 : Ce self-activation analysis for measuring fast neutron fields

Measurement of the fast neutron production rate in deuterium–tritium (D–T) fusion reactions is important for applications such as active interrogation, fusion diagnostics, and borehole logging. Such measurements are typically performed by neutron activation analysis of metal foils, especially copper. Copper foil activation analysis requires efficiency and energy calibrations of the detector used to measure the foil, and it relies on the detection of 511 keV gamma rays, which are prominent in the active background when neutrons are being produced. Alternatives, such as 79m Br produced by inelastic neutron scattering on 79 Br, are limited by short half-life, low-energy gamma emission, and inability to selectively measure D–T neutrons. This work describes a novel alternative approach to measure ≳10 MeV neutron fields based on self-activation analysis of a LaBr 3 :Ce detector. The activity of 78 Br, the activation product of the 79 Br(n,2n) 78 Br reaction, is used to determine the neutron flux and infer the neutron production rate. We experimentally demonstrate the method with a cylindrical LaBr 3 :Ce crystal with a diameter and height of 3.81 cm that was placed at an ~18 cm distance from the neutron production point, at a 90° angle with respect to the deuteron beam in a D–T neutron generator. Operating voltage and current of the generator were adjusted to evaluate the technique’s performance over a nominal generator output range of approximately (1 - 9) x 10 7 n/s. The neutron output obtained from LaBr 3 :Ce activation agrees to within three standard deviations of the output obtained using copper activation. The self-activation technique can be conveniently employed in a variety of applications to simplify measurements of fast neutrons produced in D–T fusion reactions.

Active interrogationLaBr3↗

DOE OSTI2025

High fidelity multiphysics tightly coupled model for a lead cooled fast reactor concept and application to statistical calculation of hot channel factors

A tightly coupled multiphysics code system is established using the MOOSE framework for hot channel factor (HCF) evaluation on a Lead Fast Reactor (LFR) concept. The coupled system is driven by the Griffin multiphysics coupling capability under which the MOOSE Heat Transfer module and NekRS computational fluid dynamics solver are coupled for conjugate heat transfer using the Cardinal application. The coupled capability is demonstrated on an LFR assembly model based on materials and geometry of a prototypical lead-cooled fast reactor design by Westinghouse Electric Company, LLC. Moreover, the work integrates the Multiphysics Object Oriented Simulation Environment (MOOSE) Stochastic Tools Module (STM) to perform calculations for statistical analysis of HCF. Furthermore, the coupling strategy and workflow demonstrated in this paper is not only useful for predicting accurate hot channel factors for different kinds of advanced reactors but also for other engineering applications such as control rod worth assessment, generation of high-fidelity database for Artificial intelligence (AI)/machine learning (ML) training, design optimization and multi-resolution modeling.

Cardinal↗

DOE OSTI2025

A simulation pipeline for fast neutron imaging and spectroscopy using quantified detector attributes

Radiation imaging capabilities, essential in the nuclear nonproliferation regime, facilitate source localization and, in certain cases, spectroscopy. Scatter-based neutron cameras, which can measure the neutron signatures from special nuclear material, hold particular interest. Systems incorporating organic scintillators can extract neutron energy spectra, potentially distinguishing fission neutron sources from others, such as alpha-neutron sources. The development and testing of a scatter-based neutron imager, however, can be challenging without having an accurate simulation model or first constructing a prototype. This work describes a simulation pipeline that takes output from MCNPX-PoliMi simulations and creates the expected back-projection neutron images and neutron energy spectra. This pipeline was developed to improve the modeling of fast neutron imagers and bridge the current gap in literature, which predominantly focuses on gamma-ray Compton imager models. This work also reports on the significance of various real-world system considerations and their effects on the simulated detector responses. The pipeline was verified and validated with experimental data collected using a 252 Cf spontaneous fission source using a fast neutron scattering imager developed at the University of Michigan.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

Cyclotron breaking: a mechanism for parallel ion cyclotron waves to heat the fast solar wind

The Parker Solar Probe mission has observed near-continuous power in parallel ion cyclotron waves (PICWs) in the young, fast solar wind. These waves are unlikely to be directly produced by the turbulent cascade and are likely born of a local instability; yet, they are observed to both cool – and heat – the plasma. We propose that these observations can be self-consistently explained as the natural consequence of PICWs propagating in the inhomogeneous solar wind after they have been driven unstable. In this work, we argue that strong proton heating by a turbulent cascade of oblique ICWs will result in PICWs being driven unstable in a process known as quasi-linear focusing. Because the power in the turbulent cascade is concentrated at scales above the turbulent transition region, PICWs will be driven unstable within a range of wavenumbers parallel to the background magnetic field, 𝑘 ∥ , that is bounded from above by 𝑘$^{∗}_{∥P}$, corresponding to the start of the transition region. As unstable PICWs propagate away from the Sun to regions of lower proton density, their 𝑘 ∥ , multiplied by the proton inertial length 𝑑 p , increases. Eventually, 𝑘$^{∗}_{∥P}$ of the PICWs becomes larger than 𝑘$^{∗}_{∥P}$⁢𝑑 p and the waves damp, heating the solar wind. We call this effect ‘cyclotron breaking’, in analogy with ocean waves breaking on the shore. We then discuss the testable predictions of the theory, including a distinct heating signature in which PICWs cool fast protons and heat slow protons at any given heliocentric distance 𝑟. Finally, we conjecture that cyclotron breaking can lead to net heating by PICWs if the power emitted as PICWs decreases sufficiently rapidly with 𝑟 that local emission of PICWs is overwhelmed by the local damping of PICWs generated closer to the Sun.

plasma heating↗

DOE OSTI2024

Electrochemically-Formed Disordered Rock Salt ω-Li x V 9 Mo 6 O 40 as a Fast-Charging Li-Ion Electrode Material

Electrochemically-formed disordered rock salt compounds are an emerging class of Li-ion electrode materials for fast-charging energy storage. However, the specific factors that govern the formation process and the resulting charge storage performance are not well understood. Here, we characterize the transformation mechanism and charge storage properties of an electrochemically-formed disordered rock salt from V 9 Mo 6 O 40 (VMO). The crystal structure of VMO has similar motifs to that of α-V 2 O 5 , a well-studied analogue, but VMO has less mechanical flexibility due to additional corner-sharing octahedra in its structure. As a result, VMO undergoes a single-step transformation pathway, which we characterize through operando X-ray diffraction, and forms an unusual highly distorted lamellar microstructure, as we show with high-resolution transmission electron microscopy. The resulting Li x VMO material shows fast charging and other electrochemical characteristics and performance typical of many nanomaterials, even though the material is composed of relatively large particles.

25 ENERGY STORAGE↗

DOE OSTI2025

On the Structural Origin of Fast Li-Ion Cycling in Tetragonal Bronze-Type Nb 8 W 9 O 47

Bronze and bronze-derived, mixed metal oxides are materials of growing interest for lithium-ion battery anodes due to their high-rate capabilities and the potential for high energy densities via multielectron redox. We report on the synthesis and electrochemical properties of the tetragonal tungsten bronzetype phase Nb 8 W 9 O 47 and our investigation into the structural evolution of this phase upon lithium (de)intercalation, with particular attention to how it relates to the fast-cycling capabilities. Electrochemical cycling shows Nb 8 W 9 O 47 can achieve greater than one Li + per transition metal at rates of C/2 or slower and maintains a capacity equivalent to 0.65 Li + per transition metal at a rate of 20C. Sequential Rietveld analysis of operando X-ray diffraction data reveals anisotropic changes to the unit cell parameters during discharge, accompanied by an off-centering of the transition metals within their octahedral environments. While higher capacities can be accessed below 1.2 V, cells discharged to 1.0 V exhibit a significant expansion of the unit cell volume and reduced Coulombic efficiencies. This report suggests that rigid crystal structures incapable of undergoing polyhedral rotational deformations can instead exploit displacive distortions of the transition metal redox center to enable fast Li-ion cycling with minimal atomic rearrangements.

25 ENERGY STORAGE↗

DOE OSTI2025

Quantifying Impacts of Biomass Pelletization on Fast Pyrolysis Using a Single-Particle Reactor, X-ray Computed Tomography, and Computational Modeling

The pore structure and density of lignocellulosic feedstocks dictate intraparticle transport phenomena and thereby play an important role in thermochemical conversion processes such as fast pyrolysis for biofuel and biochemical production. Variations in microstructure are inherent from different biomass species and can be introduced by preprocessing techniques such as cutting and pelletization. Morphological changes also occur during conversion and lead to vastly different pore structures and behavior during pyrolysis, which impact required conversion times and product distributions. The current work presents a comprehensive comparison of fast pyrolysis of neat and pelletized pine feedstocks, which includes single-particle experiments, modeling, and 3D imaging by X-ray computed tomography (XCT). The particle-scale model included anisotropic heat and mass transport in a shrinking particle with pyrolysis reactions based on the CRECK mechanism with boundary conditions informed by reactor-scale simulations of the single-particle reactor. The models were validated by measurements of the temperature and mass loss from single-particle pyrolysis experiments of neat and pelletized pine. Quantitative analysis of XCT geometries revealed that pyrolytic conversion yielded chars with increased porosity and permeability compared to the unpyrolyzed materials, along with decreased tortuosity and anisotropy. Pelletization of the pine feedstock resulted in a much denser, less permeable material, which converted slower and produced more residual char after pyrolysis compared to neat pine. The results from particle modeling revealed that accounting for the dynamic and anisotropic heat and mass transport caused by differences in pore structure is critical to achieving agreement with experimental results. Overall, this study highlights the dramatic differences in conversion behavior imparted by pelletization and the importance of capturing microstructural attributes in computational models to guide the design and optimization of pyrolysis processes for specific biomass feedstocks.

09 BIOMASS FUELS↗

DOE OSTI2025

Process Feasibility Analysis of Waste Biomass Valorization to Biochar and Bio-Oil via Slow and Fast Pyrolysis

The United States has abundant biomass and waste feedstock to support the nation's energy addition and affordability targets. Pyrolysis, a thermochemical conversion process, decomposes lignocellulosic feedstocks into liquid, solid, and gaseous fuels that can contribute to the domestic production of biofuels, biopower, and bioproducts. Growing private sector interest in this technology is a key motivation for this comprehensive techno-economic process modeling analysis of a respective biorefinery that includes feedstock preprocessing, slow and fast pyrolysis, and product separation to bio-oil, biochar, and syngas hydrocarbons. Results show that biochar from slow pyrolysis could achieve minimum selling prices (MSPs) of $\$$188-$\$$260/t, competitive with reported market values, while bio-oil from fast pyrolysis is estimated to yield MSPs of $\$$6.49-$\$$9.68/GGE, approximately twice conventional fuel benchmarks. Sensitivity analysis identifies feedstock cost, product yield, and scale as primary cost drivers, while scenarios involving biochar carbon credits and high value applications may substantially improve economics. Overall, these results suggest that continued innovation in feedstock logistics, process integration, and market development will be critical to achieving economically viable and scalable bioproducts.

09 BIOMASS FUELS↗

DOE OSTI2025

A Fast-Pass, Desorption Electrospray Ionization Mass Spectrometry Strategy for Untargeted Metabolic Phenotyping

Desorption electrospray ionization mass spectrometry imaging (DESI-MSI) provides direct analytical readouts of small molecules that can be used to characterize the metabolic phenotypes of genetically engineered bacteria. In an effort to accelerate the time frame associated with the screening of mutant libraries, we have developed a high-throughput DESI-MSI analytical workflow implementing a single raster line-scan strategy that facilitates the collection of location-resolved molecular information from engineered strains on a subminute time scale. Evaluation of this “Fast-Pass” DESI-MSI phenotyping workflow on analytical standards demonstrated the capability of acquiring full metabolic profiling information with a throughput of ~40 s per sample. This Fast-Pass strategy was implemented in the analysis of genetically edited Escherichia coli strains that have been engineered to produce various free-fatty acids (FFAs) for applications relevant to biofuels. Due to the untargeted nature of DESI-MSI, the investigation of these strains yielded molecular information for both global metabolites and targeted detection of accumulated bioproducts, allowing simultaneous readouts of strain-specific chemical profiles and comparative measurements of FFA production levels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Fast growth and high-titer bioproduction from renewable formate via metal-dependent formate dehydrogenase in Escherichia coli

Microbial bioproduction using one-carbon (C1) feedstocks has the potential to decarbonize the manufacturing of materials, fuels, and chemicals. Formate is a promising C1 feedstock, and the realization of industrial, formatotrophic platform organisms is a key goal for C1-based bioproduction. So far, a major limitation for synthetic formatotrophy has been slow energy supply due to slow formate dehydrogenase activity. Here, we implement a fast, metal-dependent formate dehydrogenase complex in a synthetic formatotrophic Escherichia coli utilizing the reductive glycine pathway. After a short-term evolution, we demonstrate formatotrophic growth of E. coli with a doubling time of less than 4.5 h, comparable to the fastest natural formatotrophs. To further explore the potential of a formate-based bioeconomy, this strain is engineered to produce mevalonate, as well as the terpenoid and aviation fuel precursor isoprenol, using formate we generate directly from the electrochemical reduction of CO2. This work demonstrates an improvement in bioproduct titer from formate, achieving the production of 3.8 g/L of mevalonate. Additionally, the abundant and recalcitrant polymer lignin is chemically decomposed into a formate-rich mixture of small organic acids and subsequently bioconverted into mevalonate. Overall, the described fast-growing, formatotrophic bioproduction strain demonstrates that a sustainable formate bioeconomy is within reach.

Cowan, Aidan E↗

DOE OSTI2024

Computational discovery of fast interstitial oxygen conductors

New highly oxygen-active materials may enhance many energy-related technologies by enabling efficient oxygen-ion transport at lower temperatures, for example, below ~400 °C. Interstitial oxygen conductors have the potential to realize such performance but have received far less attention than vacancy-mediated conductors. Here, in this study, we combine physically motivated structure and property descriptors, ab initio simulations and experiments to demonstrate an approach to discover new fast interstitial oxygen conductors. Multiple new families were found, which adopt completely different structures from known oxygen conductors. From these families, we synthesized and studied oxygen kinetics in La 4 Mn 5 Si 4 O 22+δ , a representative member of the perrierite/chevkinite family. We found that La 4 Mn 5 Si 4 O 22+δ has higher oxygen-ion conductivity than the widely used yttria-stabilized ZrO 2 , and among the highest surface oxygen exchange rates at the intermediate temperature of known materials. The fast oxygen kinetics is the result of simultaneously active interstitial and interstitialcy diffusion pathways. We propose that the essential features for forming an effective interstitial oxygen conductor are the availability of electrons and structural flexibility, enabling a sufficient accessible volume. This work provides a powerful approach for understanding and discovering new interstitial oxygen conductors.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Constraining the impact of chlorine as a neutron absorber in next-gen fast reactor designs

The role of chlorine as a neutron poison and as a seed for producing radioactive waste in nuclear systems has driven a renewed interest to improve its nuclear data uncertainties. Additionally, basic and applied science programs that use CLYC (Cs 2 LiYCl 6 :Ce) detectors for neutron spectroscopy and monitoring are also very sensitive to any change in chlorine nuclear data for simulations of the detector response. In this work, sensitivities relevant for these different applications are addressed through simulations of the efficiency of CLYC detectors in a fast fission spectrum when applying new chlorine nuclear data as input. These simulations are validated by an experimental measurement using CLYC detectors coupled to an ionization chamber loaded with a 252 Cf spontaneous fission source. The results are then used to obtain the first reliable direct measurement of the 35 Cl(n,p 0 ) and summed Cl(n,p+n,α) fission spectrum average cross sections, found to be 54.7(32) and 105.0(98) mb, respectively. The results are within uncertainty of calculated fission spectrum averaged cross sections based on recently re-evaluated chlorine nuclear data, which confirm recent impact studies performed for the Molten Chloride Reactor Experiment. Meanwhile, there currently exists only one published criticality benchmark experiment that is sufficiently sensitive to chlorine nuclear data. Discrepancies are found with this set of criticality safety benchmarks, which are more sensitive to thermal and epithermal neutron energies than the energies, above 100 keV, tested in this current work. Hence, there is still a need to re-evaluate the chlorine nuclear data at lower energies to assess these discrepancies. Interpretation of the data from future “faster” criticality benchmarks, which are needed for next-gen fast reactor designs, benefit from the improved constraints on the chlorine nuclear data validated in this work.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Zn 2+ -mediated catalysis for fast-charging aqueous Zn-ion batteries

Rechargeable aqueous zinc-ion batteries (AZIBs), renowned for their safety, high energy density and rapid charging, are prime choices for grid-scale energy storage. Historically, ion-shuttling models centring on ion-migration behaviour have dominated explanations for charge/discharge processes in aqueous batteries, like classical ion insertion/extraction and pseudocapacitance mechanisms. However, these models struggle to account for the exceptional performance of AZIBs compared to other aqueous metal-ion batteries. Here, in this study, we present a catalysis model elucidating the Zn 2+ anomaly in aqueous batteries, explaining it through the concept of adsorption in catalysis. Such behaviour can serve the charge/discharge role, predominantly dictated by solvated metal cations and cathode materials. First-principles calculations suggest optimal adsorption/desorption behaviour (water dissociation process) with the Zn 2+ -vanadium nitride (VN) combination. Experimentally, AZIBs implementing VN cathodes demonstrate fast-charging kinetics, showing a capacity of 577.1 mAh g -1 at a current density of 300,000 mA g -1 . The grasp of catalysis steps within AZIBs can drive solutions beyond state-of-the-art fast-charging batteries.

25 ENERGY STORAGE↗