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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Multiple interaction points in ghost collisions

The Ghost Collider makes use of unique “ghost” bunches, which are electrically neutral combinations of electrons and positrons within the same RF bucket, eliminates the beam-beam effects typically present at the interaction point (IP) in conventional colliders. This allows for the novel possibility of placing multiple interaction regions in series, achieving additive luminosity without introducing significant disruption. However, to get higher luminosity, the beta functions at the IP reaches millimeter scale, which in turn adds significant chromatic contribution to the collider. Correcting these chromatic effects is essential to maintain beam stability and ensure high luminosity during collider operation. By carefully adjusting the phase advance between two IRs that are placed in series, it becomes possible to cancel chromaticity globally, enabling stable collider operation while preserving high luminosity. In this paper we discuss the design of such IR/IRs to be used in a ghost collider.

Accelerator Physics↗
DOE OSTI2025

Equipment List Comparing Balance of Plant Containing a Heat Pump against a Reference Electricity Generating Plant

Approximately two-thirds of U.S. energy consumption in the industrial and transportation sectors relies on fossil fuels. These sectors require high-quality heat, i.e., thermal energy at very high temperatures, for molecular transformation processes. The Integrated Energy Systems (IES) program aims to assess the economic potential of utilizing nuclear-grade heat from Advanced Reactors (ARs) to meet the high-quality heat demands. By having industrial processes (IPs) supplied with nuclear-generated heat, manufacturers could benefit from more stable and potentially lower energy costs, reducing reliance on volatile fossil fuel markets. The main outcome of the FY24 research was the thermodynamic assessment and gap analysis of steam generation for IP applications. The study completed in June 2024 demonstrated that the required steam temperatures could be achieved by integrating a heat pump into an AR power plant. After identifying the thermal demands of target IPs, multiple balance of plant configurations for the Xe-100 reactor by X-energy, incorporating a heat pump, were analyzed. Their technical feasibilities were assessed, including the design of suitable axial compressors for these applications. Comparative performance analysis showed that thermal efficiency alone is insufficient to evaluate system suitability. To address this, a new indicator (heat factor) was introduced in the report released in September 2024 to quantify the low-quality thermal power needed to produce one unit of high-quality heat for the IP. Results showed that integrating heat pumps into Rankine cycles enables higher steam temperatures, though at the expense of increased thermal energy input. This report builds upon and completes the foundational work previously undertaken. It focuses on the design of two Balance of Plant (BOP) configurations, both based on Rankine energy conversion cycles: “Case 1”, which involves electricity generation only, and “Case 2”, which combines electricity and high-temperature heat generation for industrial use. For each configuration, a comprehensive equipment list was developed, detailing all major components such as turbines, compressors, heat exchangers, pumps, and control systems. These lists will serve as the basis for future comparative cost analyses, with the goal of assessing the number and type of components required to integrate a heat pump into the Rankine cycle and to establish a heat transport system capable of delivering thermal energy from the nuclear plant to an industrial facility. Using the constitutive equations presented in the June 2024 milestone, the operating conditions of all BOP components for both “Case 1” and “Case 2” were evaluated. These parameters—such as temperature, pressure, mass flow rate, and steam quality—served as the basis for calculating the associated thermal and mechanical power flows. The net power required from the heat pump to raise the steam temperature to the target level was also determined. The thermodynamic performance of the configuration was then assessed using the heat factor metric. The key outcome of this analysis is a comparative table that presents the equipment that was used in the “Case 1” and “Case 2” configurations. This study offers a preliminary comparison of the two designs, providing insight into the impact of integrating a heat pump in terms of component requirements and thermal efficiency. This equipment list, together with the evaluated operating conditions, also serves as a foundation for the economic analyses scheduled for the current fiscal year.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Characterization of Polyamide Thin Films by Atomic Force Microscopy

This study directly compares the mechanical behavior of novel molecular layer deposition (MLD) and analogous interfacial polymerization (IP) polyamide thin films in environments relevant to reverse osmosis (RO) membrane operation. The elastic modulus of the films was determined using atomic force microscopy (AFM) in dry, hydrated, and chlorinated states. Surface roughness characteristics were also obtained given their potential influence on AFM modulus measurements. The much smoother MLD films demonstrated a statistically higher modulus in all states as compared to their IP counterparts. The MLD films maintained a modulus ~3X and ~5X greater than that of IP films after hydration and chlorination, respectively. Such differences in behavior may be due to the higher density and correspondingly lower void content of the MLD films. Results from this study provide a rationale for future development of MLD for fabrication of polyamide films for incorporation in RO membranes.

atomic force microscopy↗
DOE OSTI2024

Permeability and Induced Polarization of Mudstones

Electrical measurements can be used to estimate hydraulic properties such as permeability ( k ) in sedimentary rocks. Previous work has focused on sandstones, siltstones, and carbonates, while investigations on mudstones have rarely been reported. In this study, we report on electrical geophysical measurements for 23 mudstone samples using an experimental approach designed to reliably saturate these low permeability mudstones. The modified Hagen-Poiseuille model linking permeability to the formation factor ( F ) and an effective pore radius ( r ) provides an excellent fit to the data set with a near-constant pore radius, indicating that the effective porosity (1/ F ) is the controlling factor on k . In these samples, the surface area normalized to pore volume ( S por ), frequently used in permeability estimation models, varies by 1–2 orders of magnitude and is thus not a reliable proxy of the inverse effective hydraulic radius. The formation factor also exerts the primary control on induced polarization (IP) parameters, whereas Spor shows no relation to the IP parameters. A strong linear relationship is found between IP parameters (imaginary conductivity and normalized chargeability) and surface conductivity, although the proportionality factor is significantly lower than those observed in more permeable rocks and sediments. Apparent relationships between the polarization strength-derived and time constant-derived geophysical length scales and the effective hydraulic radius appear to be driven by variations in the electrochemical parameters (i.e., specific polarizability and diffusion coefficient). Overall, these findings emphasize that predicting hydraulic properties from electrical measurements in fine-grained rocks remains challenging and requires further investigation into the electrochemical properties involved.

58 GEOSCIENCES↗
DOE OSTI2025

Cross-scale covariance for material property prediction

A simulation can stand its ground against an experiment only if its prediction uncertainty is known. The unknown accuracy of interatomic potentials (IPs) is a major source of prediction uncertainty, severely limiting the use of large-scale classical atomistic simulations in a wide range of scientific and engineering applications. Here we explore covariance between predictions of metal plasticity, from 178 large-scale (~10 8 atoms) molecular dynamics (MD) simulations, and a variety of indicator properties computed at small-scales (≤10 2 atoms). All simulations use the same 178 IPs. In a manner similar to statistical studies in public health, we analyze correlations of strength with indicators, identify the best predictor properties, and build a cross-scale “strength-on-predictors” regression model. This model is then used to estimate regression error over the statistical pool of IPs. Small-scale predictors found to be highly covariant with strength are computed using expensive quantum-accurate calculations and used to predict flow strength, within the statistical error bounds established in our study.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Field-free switching of perpendicular magnetization in a ferrimagnetic insulator with spin reorientation transition

Writing magnetic bits through spin-orbit torque (SOT) switching is promising for fast and efficient magnetic random-access memory devices. While SOT switching of out-of-plane (OOP) magnetized states requires lateral symmetry breaking, in-plane (IP) magnetized states suffer from low storage density. Here, we demonstrate a field-free switching scheme using a 5-nanometer europium iron garnet film grown with a (110) orientation that shows a spin reorientation transition from OOP to IP above room temperature. This scheme combines the benefits of high-density storage in the OOP states at room temperature and the efficient field-free SOT switching in the IP states at elevated temperatures. While conventional switching of OOP bits faces the dilemma that high OOP anisotropy is required to improve bit stability and low OOP anisotropy is required to lower switching current density, this scheme disentangles this interdependence, allowing for low switching currents to be possible without sacrificing the bit stability, offering opportunities for future memory devices.

Science & Technology - Other Topics↗
DOE OSTI2026

The Effect of Large-scale Magnetic Fluctuations on Energetic Particle Profiles across Interplanetary Shocks

In situ observations of energetic particles associated with interplanetary (IP) shocks, known as energetic storm particle (ESP) events, often show time-intensity profiles quite different from predictions of classical diffusive shock acceleration theory. We use numerical simulations, including test-particle simulations and hybrid simulations (with fluid electrons and kinetic protons) for shocks propagating into a turbulent magnetic field to study the ESP intensity-time profiles across a strong IP shock. We find that several types of energetic particle intensity profiles similar to in situ observations can be produced in our simulations. The peak of energetic particle count is often near, but can be shifted from, the locations of the shock front, with the peak usually being observed downstream of the shock. These findings may help understand particle acceleration at both traveling IP shocks and shocks in other heliospheric and astrophysical environments.

Lo, Ming-Yuan [New Mexico Consortium (NMC), Los Al↗
DOE OSTI2024

Technology Development of a High-Capacity High-Assay Low Enriched Uranium Transportation Concept

This paper discusses the technology development (TD) efforts that led to the development of a High-Capacity High-Assay Low Enriched Uranium Transportation (HALEU) transportation concept. In 2018, the Department of Energy (DOE) Office of Nuclear Technology and Research Development tasked Idaho National Laboratory (INL) to investigate strategies to transport large quantities of HALEU. To complete this task, INL collaborated with Pacific Northwest National Laboratory and Oak Ridge National Laboratory. The project was completed in 2020, and one of the project outcomes was a transportation concept that consisting of five individual Type B packages transported on a single legal-weight truck (LWT). The total payload capacity of this concept is 1,881 kg (4,149 lb) of HALEU in the form of uranium dioxide (UO2) powder. The concept utilizes an existing Type B packaging design carrying a novel fuel basket design with an incorporated flux trap. The basket can be loaded with 18 individual fuel canisters. The research collaboration investigated the U.S. certification potential of this concept. This part of the project included evaluations of criticality safety, radiological safety, thermal safety, structural integrity, and confinement under hypothetical accident scenarios of transport. The results of these evaluations demonstrated a promising potential for U.S. certification of this concept. Eventually, the described efforts led to the pursuance and issuance of a U.S. patent, thus, protecting the associated intellectual property (IP). Current short-term goals include making this IP available to private industry partners for licensing, directly supporting DOE’s objectives of accelerating commercialization of national laboratory-generated IP. If additional funding becomes available, long-term research goals could include exploring the feasibility of transporting other uranium chemical forms (e.g., UF4) with this concept, or refining operational procedures to load or unload the packagings.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Solvent‐Phobic and Ionophilic Carboxylated Polythiophene Layer for Fluoride‐Rich Cathode Electrolyte Interphase

Abstract One focal area of contemporary organic mixed ionic‐electronic conductor (OMIEC) research relates to utilization of dual‐conductive properties to enhance the ion/electron transfer kinetics for energy storage applications. Insight regarding OMIEC response toward the electrolyte anion and solvent used in lithium‐ion batteries (LIBs), however, is limited. Here, for the first time, the solvent‐phobic and ionophilic (SP‐IP) properties of the OMIEC, poly[3‐(potassium‐4‐butanoate)thiophene‐2,5‐diyl] (P3KBT), are revealed through comprehensive evaluation and characterization. The solvent‐phobic characteristics arise from the cooperation of dispersive interaction, polar interaction, and hydrogen‐bonding between P3KBT and electrolyte solvent. The ionophilic nature is driven by electrostatic interactions between P3KBT side chain carboxylate groups and LiPF 6 , and the reversible electrochemical doping/de‐doping of the polythiophene backbone with PF 6 ⁻ . The SP‐IP properties induce formation of a LiF‐ rich , Li 2 CO 3 ‐ limited cathode electrolyte interphase (CEI) layer when a P3KBT coating layer is applied to the active material surface, significantly improving half‐cell life to over 1500 cycles at 2C.

Ren, Haoze [Department of Chemical and Bimolecular↗
DOE OSTI2025

Plasma shape and position control development for NSTX-U using the GSEvolve plasma simulator

NSTX-U discharges have been reproduced using the GSEvolve plasma simulator in order to improve their control and reduce oscillations during the plasma current (Ip) ramp-up phase, and with the ultimate goal of enabling reliable H-mode access with a double-null shape at high elongation, low internal inductance, and high plasma performance. The control objective is to eliminate undesired oscillations in the plasma shape and vertical position that start when the plasma diverts during the Ip ramp-up phase, and that happened recurrently during the first NSTX-U experimental campaign. Model-based control solutions have been developed, including alternative H-mode access recipes and a Multi-Input Multi-Output (MIMO) decoupling controller. These solutions have demonstrated their capability to reduce or eliminate the aforementioned oscillations in GSEvolve simulations, enabling reproducible H-mode access. The results of this work aim to inform NSTX-U experimental operations on potential control developments to maximize its scientific output, and highlight the powerful capabilities of high-fidelity control-simulation frameworks like GSEvolve.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Rapid Coal-Ash Characterization using Geophysical Methods & Machine Learning

Coal combustion products (CCP) are challenging to delineate in heterogeneous field settings. Conventional methods (test pits, coring, and laboratory analyses) are labor-intensive, slow, invasive, and provide sparse spatial coverage. This study evaluates whether rapid non-invasive geophysical screening methods—induced polarization (IP), magnetic susceptibility, and nuclear magnetic resonance (NMR) —combined with surface colorimetry (RGB_24), can discriminate CCP-soil mixtures and provide reliable estimates of CCP content. Laboratory measurements were collected on five CCP-soil mixtures (series) and modeled using (i) a linear baseline, (ii) a calibrated non-linear (power-mean) model, and (iii) a machine-learning (ML) Random Forest approach, with validation via leave-one-series-out and site-specific tests. Across the five series, individual signals—particularly IP and magnetic susceptibility—were strongly predictive of ash content but were consistently outperformed by combined models. The pooled calibrated non-linear and ML models captured the observed non-linearity and achieved high accuracy and precision, improving on linear fits. Colorimetry showed the weakest direct relationship with ash content for the tested samples but improved performance when included in multi-signal models. At pre-selected 3.5% decision threshold, calibrated and ML approaches yielded near-perfect classification (Matthews correlation coefficient ˜ 1), suggesting strong practical operability for field screening. Additionally, field-analog tests highlighted the role of endmembers—accuracy declined without access to end-member measurements but was largely recovered by collecting a minimal labeled pair for local recalibration. With end members, accuracy remained high. Globally trained models performed well on three operational unknowns; however, series-specific refits provided the most accurate predictions. Overall, these results highlight the potential of combining rapid geophysics and minimal local calibration for improved coal-ash delineation.

Peshtani, Klaudio↗
DOE OSTI2026

Cleavage at the nsp5–nsp6 site of SARS-CoV-2 main protease intermediate precursor is faster from a monomer than a dimer form

Our previous studies of severe acute respiratory syndrome coronavirus 2 main protease (MPro) precursor monomer indicate that the initial N-terminal nonstructural protein (nsp)4/nsp5 cleavage occurs intramolecularly, with a small fraction of the active site loop equilibrium being in the active state. To understand the influence of dimer formation of MPro upon N-terminal cleavage on the subsequent C-terminal nsp5/nsp6 intermolecular cleavage kinetics, the stepwise processing of a monomeric, inactive precursor containing the native terminal cleavage sites of MPro (MBP- (−6) MPro C145A(+3) -GB1-6H, 86.2 kDa) by mature WT MPro (MPro WT ) was investigated. Differential scanning fluorimetry and analytical ultracentrifugation measurements of various MPro constructs suggest that the C145A mutation decreases the dimer dissociation constant (K dimer ) by ∼26-fold, relative to WT C145 and H41A. The monomeric precursor’s nsp4–nsp5 site appears to saturate MProWT’s active sites and cleave faster, followed by a slower first-order cleavage at the C-terminal site. No detectable product resulting from the C-terminal cleavage is observed until most of the N-terminal cleavage is complete. The initial intermediate product (termed MPro C145A-IP ) is a homodimer with an estimated K dimer of <0.05 μM. In contrast, the first-order kinetics observed for the cleavage of the monomeric form of the intermediate product is at least 300 times faster than that of the dimer form. Room-temperature X-ray structure of the MPro C145A-IP –ensitrelvir complex is like that of the MPro WT –ensitrelvir complex and reveals a dynamic C-terminal region including MPro residues 302 to 306. These results are interpreted from the point of view of a mechanism in which nsp5–nsp6 cleavage may occur from a monomeric intermediate, and dimer formation restricts this cleavage.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Exploring nuclear structure with multiparticle azimuthal correlations at the LHC

Details of the nuclear structure of Xe, such as the quadrupole deformation and the nuclear diffuseness, are studied by extensive measurements of anisotropic-flow-related observables in Xe–Xe collisions at a centre-of-mass energy per nucleon pair $\sqrt{s_{NN}}$ = 5.44 TeV with the ALICE detector at the LHC. The results are compared with those from Pb–Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV for a baseline, given that the 208 Pb nucleus exhibits a very weak deformation. Furthermore, comprehensive comparisons are performed with a state-of-the-art hybrid model using IP-Glasma+MUSIC+UrQMD. It is found that among various IP-Glasma+MUSIC+UrQMD calculations with different values of nuclear parameters, the one using a nuclear diffuseness parameter of α 0 = 0.492 and a nuclear quadrupole deformation parameter of β 2 = 0.207 provides a better description of the presented flow measurements. These studies represent the first systematic exploration of nuclear structure at TeV energies, utilizing a comprehensive set of anisotropic flow observables. The measurements serve as a critical experimental benchmark for rigorously testing the interplay between nuclear structure inputs and heavy-ion theoretical models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Moiré Patterns in Pt Overlayers on Gold: A Graph Neural Network Interatomic Potential Study

Overlayer structures in bimetallic catalysts are relevant to a variety of catalytic reactions, particularly in electrocatalysis for fuel cell applications. Previous computational studies largely consider these overlayer structures to be those of a pseudomorphic overlayer, where there is a 1:1 atomic ratio between the overlayer and the support metal. Our previous work based on density functional theory (DFT) has shown that there exist nonstoichiometric overlayer structures that are more stable than the stoichiometric ones. Here, in this work, we developed a graph neural network interatomic potential (GNN-IP) to analyze structures formed in Pt overlayers on Au(111). The GNN-IP was used to explore properties of nonstoichiometric overlayers at length scales that are prohibitively expensive to pursue with planewave DFT calculations. In particular, we examined large Pt islands on top of a 48 × 48 Au(111) unit cell to explore the influence of the rotational angle (α) between the Pt overlayer and support Au(111) on both the stability of and the preferred atomic density in the overlayer. Island structures with smaller rotational angles between the Pt overlayer and Au(111) tend to be more stable. Further, smaller rotational angles tend to result in lower atomic density in the Pt overlayer.

chemical structure↗
DOE OSTI2024

Crossover from Conventional to Unconventional Superconductivity in 2M-WS 2

Leveraging the reciprocal-space proximity effect between superconducting bulk and topological surface states (TSSs) offers a promising way to topological superconductivity. However, elucidating the mutual influence of bulk and TSSs on topological superconductivity remains a challenge. Here, we report pioneering transport evidence of a thickness-dependent transition from conventional to unconventional superconductivity in 2M-phase WS 2 (2M-WS 2 ). As the sample thickness reduces, we see clear changes in key superconducting metrics, including critical temperature, critical current, and carrier density. Notably, while thick 2M-WS 2 samples show conventional superconductivity, with an in-plane (IP) upper critical field constrained by the Pauli limit, samples under 20 nm exhibit a pronounced IP critical field enhancement, inversely correlated with 2D carrier density. This marks a distinct crossover to unconventional superconductivity with strong spin-orbit-parity coupling. Furthermore, our findings underscore the crucial role of sample thickness in accessing topological states in 2D topological superconductors, offering pivotal insights into future studies of topological superconductivity.

2D topological superconductor↗
DOE OSTI2025

Inhomogeneous Magnetic Anisotropy in an Fe 5– x GeTe 2 Nanoflake Observed by Imaging

Few-layer flakes of ferromagnetic Fe 5–x GeTe 2 with x = 0.3 (F5GT) possess a c-axis magnetocrystalline anisotropy that is large enough below ∼200 K to outcompete the easy-plane shape anisotropy, yielding distinctive magnetic microstructures with out-of-plane (OOP) magnetizations. Using photoemission electron microscopy (PEEM) with magnetic contrast from X-ray magnetic circular dichroism (XMCD) to study a thermally demagnetized h-BN-protected nanoflake of F5GT at 110 K, we observe a micron-scale coexistence between domains with OOP magnetizations (∼70% areal fraction) and hitherto unknown domains in which in-plane (IP) magnetization components dominate (∼30% areal fraction). The regions with dominant IP magnetization components do not correlate with small variations of flake thickness (6–10 nm) and instead arise from local changes of magnetocrystalline anisotropy due to a hitherto unidentified chemical inhomogeneity that we suggest to be a higher concentration of Fe vacancies. Our observation of micron-scale inhomogeneity would likely be missed if imaging a single flake orientation and should affect the viability and performance of van der Waals (vdW) spintronic devices with F5GT electrodes.

2D materials↗
DOE OSTI2025

Revisiting the Relationship Between Induced Polarization and Surface Conductivity: Ratios From Laboratory to Field

Abstract Among the subsurface geophysical methods used in the critical zone investigations, induced polarization (IP) shows great vitality thanks to its unique ability to assess porosity via bulk conduction and estimate permeability through surface conduction and/or polarization. However, such an advantageous separation between bulk and surface is mostly implemented by multi‐salinity experiments in the laboratory, which is incredibly difficult to realize in the field. One promising approach to address such an obstinate issue is to gauge the surface conductivity ( σ s ) from the quadrature conductivity ( σ ″) or normalized chargeability ( M n ) with the ratios between ( l = σ ″/ σ s , l mn = M n / σ s ). While these ratios are known not to be universal, the underlying principles are not fully understood and relevant theoretical studies are rare, which makes quantitative IP applications difficult. Here we scrutinize the conduction and polarization mechanisms of geomaterials and pinpoint that the two ratios are inherently functions of salinities and frequencies rather than only determined by the properties of the electrical double layer (EDL), hence representative samples from the investigated field must be calibrated in the laboratory and a characteristic frequency should be chosen for their usage. Besides the macro‐scale ratios l and l mn , we define two micro‐scale ratios χ and χ mn directly from the EDL, such that the new ratios exclude the effect of salinity and frequency and offer the opportunity to characterize and monitor changes of the EDL. Our study demonstrates that the existing macro‐scale ratios converge toward the values of novel micro‐scale ratios at high water salinity.

Qi, Youzheng [Earth and Environmental Sciences Are↗
DOE OSTI2024

Early-stage oxidation and subsequent damage of the used nuclear fuel extractant TODGA; electron pulse radiolysis and theoretical insights

Radiation induced damage of extractant molecules is a well-known phenomenon responsible for reducing efficiency and increasing the waste and cost of reprocessing used nuclear fuel (UNF). As such, understanding early-stage (pico- to nanoseconds) radiation-induced reaction mechanisms is essential for informing the design of next generation extractants with enhanced radiation robustness. Here, in this work, we utilized picosecond and nanosecond electron pulse radiolysis experiments to probe the early-stage radioactive environment experienced by the organic phase extractant N,N,N',N'-tetraoctyldiglycolamide (TODGA), proposed for separating highly radioactive trivalent minor actinides (specifically americium and curium) from the trivalent lanthanides. Using comparisons to the similar ionization potential (IP) solute p-xylene, this work determined the mechanism of reaction with the ionized diluent (i.e., n-dodecane radical cation, DD˙ + ) is hole transfer to produce TODGA˙ + . At high TODGA concentrations (>100 mM), the majority of this transfer occurs faster than 10 ps via the capture of DD˙ + holes prior to their solvation with a C 37 = 300 mM. The surviving solvated holes were captured with k = (2.38 ± 0.15) × 10 10 M -1 s -1 . Attempts at subsequent hole transfer to lower IP solutes found that only 10% of holes were transferred, indicating bond rupture of TODGA˙ + occurs within 2.6 ns at 200 mM TODGA. Possible reaction pathways for the rapid decomposition of TODGA˙ + were explored using a combination of experiments and density functional theory (DFT) calculations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗