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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Monte Carlo simulation analysis for radiation damage on Glidcop Al-15 caused by 17-20 MeV/u heavy ions

The Facility for Rare Isotope Beams (FRIB) SRF linear heavy-ion accelerator is designed to accelerate all ions up to uranium to a maximum beam power of 400 kW. Several beam intercepting devices (BIDs) are essential to the successful operation of the accelerator, including a low power charge selector (LPCS) made of copper containing 0.15% precipitated aluminum oxide by weight called Glidcop Al-15. As FRIB ramps up the primary beam power beyond the current 20 kW level, the charge selector must withstand higher radiation damage rates, typically measured in displacements per atom (dpa). Significant beam induced radiation damage including significant deformation, like swelling, blistering, and cracking has been observed on a recently removed LPCS. We also observed physical features up to about 5.5 mm wide and appear to be deeper than the projected range of any ions. This paper presents the results of Monte Carlo simulations carried out using the Particle and Heavy Ion Transport code System (PHITS), quantifying the total damage dose and ion concentration, etc. Simulating an accurate irradiation history is essential to determining the scope of post irradiation examination (PIE) work.

Fletcher, Ethan [Michigan State U.]↗
DOE OSTI2026

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Accurate and efficient interatomic potentials are essential for molecular dynamics (MD) simulations of radiation damage, gas diffusion, and phase stability in complex ceramics such as LiAlO 2 , especially under extreme conditions relevant to tritium production. Here, we evaluate the performance of six machine-learned interatomic potentials (MLIPs), moment tensor potential (MTP), Gaussian approximation potential, deep potential (DeePMD), atomic cluster expansion (ACE), message-passing ACE (multilayer atomic cluster expansion (MACE) pretrained) and MACE (trained from-scratch), all trained on the same density functional theory dataset with inclusion of tritium. The MLIPs are benchmarked against traditional Buckingham and ReaxFF potentials in terms of energy accuracy, density predictions, thermal equilibration behavior, threshold displacement energy (E d ), tritium diffusivity, and computational cost. Among the models, MTP shows the best overall balance between efficiency and accuracy, with low force and energy errors and realistic E d values for Li and Al. The ACE and MACE (pretrained and trained from scratch) models exhibit high E d (>200 eV) and unphysical pair interactions. DeePMD underestimates Ed due to overly repulsive behavior even at equilibrium distances. All models over-estimate tritium diffusion but the pretrained MACE model behaves well during tritium-diffusion simulations up to 500 K, maintaining diffusivities in the physically consistent 10 −11 m 2 /s range. Finally, we quantify the computational cost of each potential in large-scale atomic/molecular massively parallel simulator, finding that only MTP is more efficient than traditional empirical potentials, while others are significantly more expensive. These findings explain the trade-offs between accuracy and computational cost in MLIP development and provide essential guidance for use in high-throughput radiation damage and gas diffusion simulations in nuclear ceramics.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Quantum Simulations of Radiation Damage in a Molecular Polyethylene Analog

Abstract An atomic‐level understanding of radiation‐induced damage in simple polymers like polyethylene is essential for determining how these chemical changes can alter the physical and mechanical properties of important technological materials such as plastics. Ensembles of quantum simulations of radiation damage in a polyethylene analog are performed using the Density Functional Tight Binding method to help bind its radiolysis and subsequent degradation as a function of radiation dose. Chemical degradation products are categorized with a graph theory approach, and occurrence rates of unsaturated carbon bond formation, crosslinking, cycle formation, chain scission reactions, and out‐gassing products are computed. Statistical correlations between product pairs show significant correlations between chain scission reactions, unsaturated carbon bond formation, and out‐gassing products, though these correlations decrease with increasing atom recoil energy. The results present relatively simple chemical descriptors as possible indications of network rearrangements in the middle range of excitation energies. Ultimately, the work provides a computational framework for determining the coupling between nonequilibrium chemistry in polymers and potential changes to macro‐scale properties that can aid in the interpretation of future radiation damage experiments on plastic materials.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

Dynamics of Radiation Damage Buildup in Ultrathin Hexagonal Boron Nitride Films under Ion Bombardment

Two-dimensional hexagonal boron nitride (hBN) is attractive for several emerging applications. Ion bombardment can be used to modify the hBN properties. However, the understanding of radiation damage buildup in hBN remains limited. Here, we investigate the effects of the dose rate and ion mass on radiation damage buildup by studying 40 nm-thick hBN films bombarded at room temperature with 500 keV 4 He, 15 N, 40 Ar, and 129 Xe ions and comparing with results for ion bombardment of polycrystalline hBN ceramics. Raman spectroscopy is used to quantify damage buildup, and transmission electron microscopy is used for microstructural analysis. Experiments are complemented by molecular dynamics simulations of the formation and evolution of point defects. Lighter ions are found to be more efficient at disordering hBN than heavier ions. This observation points to a critical role of intracascade defect processes. In contrast, a negligible dose rate effect observed suggests limited intercascade defect dynamic annealing processes for these irradiation conditions. These findings provide a fundamental basis for hBN defect engineering.

2D materials↗
DOE OSTI2025

Novel technology of non-contact real-time radiation damage sensors for high power targets.

This report summarizes the contributions of an intern participating in the Community College Internship (CCI) program at Fermilab, focusing on the development of a novel, non-contact, real-time radiation damage sensor technology. The core objective is to create a reliable sensor capable of measuring radiation-induced degradation on high-power targets without physical contact. The experiment involves using a Class 3B supercontinuum laser directed toward a single material sample placed within a vacuum test chamber. The laser beam reflects off the sample's surface, with changes in reflectivity, indicative of radiation damage, measured by a spectrometer positioned at the chamber’s output port. The intern’s primary responsibilities included designing an interlock system to ensure laser operational safety, developing a camera-based monitoring system using Raspberry Pi devices, and creating structural supports using 3D modeling and printing techniques. Components for the interlock and camera systems were successfully designed and ordered, with preliminary 3D models printed and refined through iterative testing. Challenges encountered in the 3D printing process, such as fragile initial prototypes and difficult support removal, were overcome by adjusting printer settings and incorporating design enhancements like chamfered edges. Future activities, pending component delivery, involve installing and configuring the interlock and camera systems, as well as further improving the structural supports. Overall, the internship significantly enhanced the intern’s technical proficiency in hardware design, software integration, and advanced 3D printing, contributing directly to Fermilab’s operational safety standards and experimental effectiveness in high-energy physics research.

Pumarino Meza, Rafael [Unlisted; Fermilab]↗
DOE OSTI2024

Sensor response and radiation damage effects for 3D pixels in the ATLAS IBL Detector

Pixel sensors in 3D technology equip the outer ends of the staves of the Insertable B Layer (IBL), the innermost layer of the ATLAS Pixel Detector, which was installed before the start of LHC Run 2 in 2015. 3D pixel sensors are expected to exhibit more tolerance to radiation damage and are the technology of choice for the innermost layer in the ATLAS tracker upgrade for the HL-LHC programme. While the LHC has delivered an integrated luminosity of ≃ 235 fb -1 since the start of Run 2, the 3D sensors have received a non-ionising energy deposition corresponding to a fluence of ≃ 8.5 × 10 14 1 MeV neutron-equivalent cm -2 averaged over the sensor area. This paper presents results of measurements of the 3D pixel sensors' response during Run 2 and the first two years of Run 3, with predictions of its evolution until the end of Run 3 in 2025. Data are compared with radiation damage simulations, based on detailed maps of the electric field in the Si substrate, at various fluence levels and bias voltage values. These results illustrate the potential of 3D technology for pixel applications in high-radiation

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Radiation Damage Mechanisms in Oxide-Based Solid Electrolytes

Ion implantation is a promising approach to mitigate dendrite formation in metal anode solid-state batteries by modifying the chemical and mechanical properties of oxide-based electrolyte surfaces such as Li 7 La 3 Zr 2 O 12 (LLZO). Yet, the detailed atomistic mechanisms and potentially adverse side effects of ion implantation remain poorly understood. In this study, we used molecular dynamics simulations to elucidate the evolution of radiation-induced damage in LLZO. The results reveal that radiation damage is primarily driven by recoils from heavy ions in the lattice, producing antisite defect clusters whose density decreases as recoil energy increases, a counterintuitive finding that highlights complex cascade fragmentation. Radiation-induced disruption to the crystal sublattice connectivity, especially in the La–O network critical for Li-ion transport, leads to degradation in ionic pathways at low energies, while higher energy cascades can form new conduction pathways via enhanced Zr–O network connectivity. These findings provide a mechanistic foundation for optimizing ion implantation strategies that balance disruption of the lattice for surface modification for dendrite resistance with preservation of essential ionic conductivity.

Defects↗
DOE OSTI2024

Radiation damage study of POCO ZXF-5Q graphite for neutrino production targets using 4.5 MeV helium ions

To address the challenges of increased beam power and target survivability associated with next-generation particle production beam lines, high dose, high-energy proton beam conditions are simulated using irradiation from low-energy ion beams. A low-energy ion irradiation study of POCO ZXF-5Q graphite under conditions similar to those of the NuMI NT-02 neutrino production target at the Fermi National Accelerator Laboratory is reported. Helium ion irradiation was performed at 100 ∘ C to a maximum damage level of 0.9 displacements per atom (DPA). Irradiation induced hardening, swelling of the irradiated region, inter-plane lattice expansion, and intraplane lattice contraction with increasing ion fluence was observed using micromechanical (nanoindentation, atomic force microscopy) and electron microscopy (high-resolution imaging, selected area diffraction) characterization. Similar changes were also observed in post irradiation examination of the NT-02 target indicating that ion irradiation can be a valuable tool for estimating radiation damage in proton beam targets. Caution must be exercised though, because the hardening, lattice alteration, and swelling occur to different magnitudes for a given damage level. The observed hardening and embrittlement were greater for ion irradiated graphite. For He ion irradiated samples the lattice spacing changes were smaller at low damage levels (78% less expansion and 71% less contraction at 0.1 DPA) and larger at high damage levels (38% more expansion and 5% more contraction at 0.9 DPA) relative to that observed in the NT-02 target. The magnitude of swelling was 8.5× greater under ion irradiation which is influenced by the differing damage gradients and inclusion of implanted He ions in the region of interest.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Novel Technology of Non-Contact Real-Time Radiation Damage Sensor for High Power Targets

High-power proton beams planned for forthcoming long-baseline neutrino experiments will subject solid targets to unprecedented radiation damage, threatening reliability and increasing costs. To address this challenge, we are building a real-time, non-contact sensor that tracks damage by measuring broadband laser reflectivity changes from the target surface. A low-power super-continuum Class 3B laser illuminates the sample inside a vacuum test chamber while a high-resolution fiber-coupled spectrometer captures S- and P-polarized light; spectral shifts reveal defect-driven variations in optical constants. My internship goal is to design, build, and commission this prototype by implementing a laser-safety interlock and light shield, integrating remote-operation cameras, and fabricating modular 3-D-printed mounts that enable tool-free swaps without disturbing alignment. The laser, spectrometer, and vacuum chamber have been delivered; interlock hardware, cameras, and mounts are in final assembly, and leak testing of the chamber is underway. Upcoming work will focus on initial calibration of the sensor and executing first beam-irradiation studies.

Pumarino, Rafael↗
DOE OSTI2025

Radiation damage effects in beryllium for next generation neutrino beam targetry (Final Technical Report)

Current and future high-power accelerators put severe requirements on materials used for target and beam windows and target facilities have been recognized as a critical challenge in development of future particle accelerators. In accelerators, window and target materials are exposed to extreme conditions, which include bombardment with very high energy protons (1- 100 GeV) and thermomechanical shock waves. Radiation can cause direct damage in the material, and it leads to production of transmutation products (especially helium), both phenomena having a potential adverse effect on the stability and durability of the target/window material. At high enough temperatures, He can aggregate to form gas bubbles, which in turn cause significant dimensional changes (swelling), enable easy crack propagation, and eventually cause failure by fracture. On the other hand, if the temperature is too low, radiation damage accumulates in the form of internal defects (e.g., dislocations), leading to hardening and a decreased ductility of the material. In this project, we will focus on beryllium since it is considered to be one of the candidate materials for beam windows and targets in the next-generation proton accelerators, e.g., the Long Baseline Neutrino Facility (LBNF). Radiation effects in Be have been studied in the context of nuclear fusion reactor applications. However, key differences exist between reactor and accelerator conditions, including neutron vs. proton irradiation, continuous vs. pulsed beam flux, much higher energies of bombarding particles in accelerators, and higher operating temperatures for typical reactors. For example, the impact of beam pulsing on the radiation damage and the He bubble kinetics is largely unknown. While results obtained on Be from fusion research might not be directly transferrable to understanding target materials, there is an opportunity to bring state-of-the-art tools from materials research in nuclear reactors to aid design of target and beam window materials in high-power accelerators. To this end, the overarching goal of this project are to develop an experimentally-validated computational framework capable of predicting radiation damage evolution in beryllium relevant to beam window and target conditions, focusing on He bubble formation and growth as a function of irradiation temperature. Our model will be based on the cluster dynamics formalism, where size distribution of defects and He bubbles is simulated as a function of time, temperature, and radiation dose. Parameters for the model will be taken from published experiments and from high-fidelity atomistic simulations proposed in this project. In addition, we will carry out a series of targeted ex-situ and in-situ dual-beam experiments using low-energy protons to provide critical data for validation of the model on the effects of radiation on He clustering, He bubble distribution, and dislocation loop density/size in proton irradiated Be.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The effect of radiation damage on the light yield and uniformity of candidate plastic scintillator tiles for the CMS hadron calorimeter upgrade

A study has been performed to understand the effects of radiation damage on various plastic scintillator tiles considered for a possible upgrade of the hadron calorimeter of the CMS detector. Measurements were made with unirradiated tiles and with tiles that had been irradiated in the CMS collision hall to a dose of 44 kGy. Results are presented for the tiles of different shapes in terms of the energy spectrum, efficiency as a function of the position at which each tile was hit, as well as light yield. All the tiles showed a light reduction of up to about 50%. The tiles with the shape currently used in the CMS detector did not see increased non-uniformity of light collection, while a significant disuniformity was observed for the tiles considered as alternatives.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

NNL.Fe.qSNAP-ZBL.2024.1: A Fe Spectral Neighbor Analysis Potential for Radiation Damage Simulations

The NNL.Fe.qSNAP-ZBL.2024.1 machine-learned potential (MLP) has been generated to support the development of an elemental body-centered cubic (BCC) Fe athermal recombination corrected neutron damage model and simulations of primary recoil atom (PRA) cascades in BCC Fe. This MLP is a quadratic spectral neighbor analysis potential (qSNAP) hybridized with the universal Ziegler-Beirsack-Littmark (ZBL) potential at short-range and is named according to Naval Nuclear Laboratory MLP naming conventions (NNL.material-system.MLP-type.year.version). Training set calculations for Fe are presented along with the subsequent MLP fitting procedure. A key criterion of the fitting procedure is that ZBL describes the short-range interaction with minimal impact on the MLP. The MLP is compared to density functional theory (DFT) predicted properties relevant to radiation damage simulation, including threshold displacement energies, for validation. The NNL.Fe.qSNAP-ZBL.2024.1 potential is considered suitable for molecular dynamics (MD) simulations of radiation defects up to 800 K and PRA cascades in BCC Fe up to around 10 keV. The potential can additionally be used on a limited basis for recoils of 10–20 keV, within which range the emergence of structures outside the training set in cascade simulations may cause system instabilities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

In situ TEM annealing of neutron-irradiated Ti reveals a two-stage mechanism for elevated temperature radiation damage recovery

Understanding how irradiation-induced defects evolve at elevated temperatures is of critical importance to predicting materials' behavior under steady-state and accident scenarios. However, such mechanistic insight into microstructural evolution is limited by the nature of ex situ annealing and subsequent imaging. Here we show direct observation and quantification of defect recovery in neutron-irradiated Ti using in situ transmission electron microscopy (TEM) annealing experiments. In agreement with our prior work, and at temperatures below the irradiation temperature (T irr = 300 °C), dislocation loops are observed to glide. At elevated temperatures (>500 °C), dislocation lines become mobile and promote significant recovery of the microstructure. These mechanisms challenge the established electron irradiation-based model for radiation damage recovery, which originally suggests dissolution of static defect clusters, and demonstrates the importance of in situ characterization in understanding defect evolution in irradiated materials.

Hirst, Charles A. [Univ. of Michigan, Ann Arbor, M↗
DOE OSTI2026

Grain Boundary Effects on Radiation Damage and Tritium Diffusion in Li–Al–O Ceramics from Molecular Dynamics and Experiments

Understanding irradiation damage and tritium transport in LiAlO2 ceramics is essential for their deployment in tritium-producing burnable absorber rods (TPBARs). Grain boundaries (GBs) play an important role in governing radiation response and tritium transport in LiAlO2 and its secondary phase LiAl5O8. Using molecular dynamics simulations, we investigated defect evolution and tritium diffusion during displacement cascades in single-crystal and bicrystal LiAlO2 and LiAl5O8 at 600 K. The results reveal that GBs suppress the damage in the LiAlO2 bicrystals as compared to single crystals, via interstitial emission. The effect is more pronounced for Li defects, than for Al and O. In LiAl5O8 the damage reduction due to introduction of GB is less pronounced overall. Tritium diffusion coefficients at GBs are higher by factors of 2–10 relative to diffusion inside grain bulk. The effect is particularly pronounced in LiAlO2, where S5, S17, and S25 GBs promote rapid tritium transport, whereas LiAl5O8 exhibits slower diffusion due to reduced free volume at its GBs. These findings evince a trade-off that while GBs mitigate radiation damage by absorbing interstitials, they simultaneously provide fast pathways for tritium migration which is not desirable for TPBAR application. The mechanistic insights gained here establish a foundation for microstructural design strategies to balance radiation tolerance and tritium retention in ceramic breeder materials.

Roy, Ankit↗
DOE OSTI2024

Quantifying the resonant photoemission of radiation damaged Pu

Here, the resonant photoelectron spectroscopy (ResPes) of new and aged δ-Pu(Ga) is reassessed by using the small oxygen contaminant peaks as an independent and quantitative check upon conventional cross-photon-energy normalization. Good agreement is found between the measured oxygen intensities and the atomic cross section calculations. Consistent with earlier analyses, the radiation induced damage in the aged samples is found to compress and sharpen the 5f peaks. This is associated with increased localization of the 5f bands, corresponding to the 5f density of states calculations that show a narrowing of 5f bandwidth with cluster size diminishment.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Response of AC-coupled low gain avalanche detectors to ionizing and non-ionizing radiation damage

Low gain avalanche diodes with DC- and AC-coupled readout were exposed to ionizing and non-ionizing radiation at levels relevant to future experiments in particle, nuclear, and medical physics and to astrophysics. Damage-related change in their acceptor removal constants and in the resistivity of the region between the guard ring and the active area are reported, as is change in the leakage current and depletion voltages of the active volumes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Silicon ion radiation as a viable surrogate for emulating neutron radiation damage in silicates

Abstract Nuclear power plants are aging around the world, and a precise assessment of irradiation damage in their components is needed. One key component, concrete, and specifically the silicates in its aggregates, can undergo significant expansion upon neutron radiation, which can lead to cracking and, ultimately, structural failure. However, assessing and predicting the extent of damage via neutron radiation is challenging due to reasons such as residual radioactivity and, most importantly, the high time involved. Here, we evaluate whether ion radiation can be a viable surrogate. Specifically, by employing Si 2+ ion radiations and a comprehensive multi-modal imaging protocol, we report mineral-specific responses for key silicates such as quartz, albite, anorthite, and microcline. We find that 10 MeV Si 2+ ions result in mineral expansions that are remarkably comparable to neutron radiation equivalent expansions (R 2 = 0.86, RMSE = 1.29%), opening up pathways towards rapid assessment of silicates subject to irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Radiation Damage Mitigation in FeCrAl Alloy at Sub-Recrystallization Temperatures

Traditional defect recovery methods rely on high-temperature annealing, often exceeding 750 °C for FeCrAl. In this study, we introduce electron wind force (EWF)-assisted annealing as an alternative approach to mitigate irradiation-induced defects at significantly lower temperatures. FeCrAl samples irradiated with 5 MeV Zr 2+ ions at a dose of 10 14 cm −2 were annealed using EWF at 250 °C for 60 s. We demonstrate a remarkable transformation in the irradiated microstructure, where significant increases in kernel average misorientation (KAM) and low-angle grain boundaries (LAGBs) typically indicate heightened defect density; the use of EWF annealing reversed these effects. X-ray diffraction (XRD) confirmed these findings, showing substantial reductions in full width at half maximum (FWHM) values and a realignment of peak positions toward their original states, indicative of stress and defect recovery. To compare the effectiveness of EWF, we also conducted traditional thermal annealing at 250 °C for 7 h, which proved less effective in defect recovery as evidenced by less pronounced improvements in XRD FWHM values.

FeCrAl alloys↗