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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 OSTI2020

Carbon nanotube (CNT) metal composites exhibit greatly reduced radiation damage

Radiation damage of structural materials leads to mechanical property degradation, eventually inducing failure. Secondary-phase dispersoids or other radiation defect sinks are often added to materials to boost their radiation resistance. We demonstrate that a metal composite made by adding 1D carbon nanotubes (CNTs) to aluminum (Al) exhibits superior radiation resistance. In situ ion irradiation with transmission electron microscopy (TEM) and atomistic simulations together reveal the mechanisms of rapid defect migration to CNTs, facilitating defect recombination and enhancing radiation tolerance. The origin of this effect is an evolving stress gradient in the Al matrix resulting from CNT transformation under irradiation, and the stability of resulting carbides. Extreme value statistics of large defect behavior in our simulations highlight the role of CNTs in reducing accumulated damage. Furthermore, this approach to controlling defect migration represents a promising opportunity to enhance the radiation resistance of nuclear materials without detrimental effects.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Using Griffin's Transmutation Solver to Calculate Radiation Damage

Displacement Radiation Damage originates from all nuclides, not just those that are naturally occurring. Currently only damage from naturally-occurring nuclides, or sometimes damage from one transmutation product is considered. It is proposed that the transmutation solvers implemented in many codes be used to calculate this radiation damage. This would explicitly treat damage from all sources without additionally burdening the user. A proof-of-concept implementation was created in Griffin. The implementation showed that only minor code modifications are necessary to add this feature. When compared against an analytical benchmark the results Griffin could calculate were very accurate.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Radiation Damage Studies on Titanium Alloys as High Intensity Proton Accelerator Beam Window Materials

A high-strength dual a+ß phase titanium alloy Ti–6Al–4V is utilized as a material for beam windows in several accelerator target facilities. However, relatively little is known about how material properties of this alloy are affected by high-intensity proton beam irradiation. With plans to upgrade neutrino facilities at J-PARC and Fermilab to over 1 MW beam power, the radiation damage in the window material will reach a few displacements per atom (dpa) per year, significantly above the ~0.3 dpa level of existing data. The international RaDIATE collaboration, Radiation Damage In Accelerator Target Environments, has conducted a high intensity proton beam irradiation of various target and window material specimens at Brookhaven Linac Isotope Producer (BLIP) facility, including a variety of titanium alloys. Post-Irradiation Examination (PIE) of the specimens in the 1st capsule, irradiated at up to 0.25 dpa, is in progress. Tensile tests in a hot cell at Pacific Northwest National Laboratory (PNNL) exhibited a clear signature of radiation hardening and loss of ductility for Ti–6Al–4V, while Ti–3Al–2.5V, with less ß phase, exhibited less severe hardening. Microstructural investigations will follow to study the cause of the difference in tensile behavior between these alloys. High-cycle fatigue (HCF) performance is critical to the lifetime estimation of beam windows exposed to a periodic thermal stress from a pulsed proton beam. The first HCF data on irradiated titanium alloys are to be obtained by a conventional bend fatigue test at Fermilab and by an ultrasonic mesoscale fatigue test at Culham Laboratory. Specimens in the 2nd capsule, irradiated at up to ~1 dpa, cover typical titanium alloy grades, including possible radiation-resistant candidates. These systematic studies on the effects of radiation damage of titanium alloy materials are intended to enable us not only to predict realistic lifetimes of current beam windows made of Ti–6Al–4V, but also to extend the lifetime by choosing a more radiation and thermal shock tolerant alloy with a preferable heat treatment, or even by developing new materials.

Titanium Alloy, Beam Window, Proton Beam, Radiatio↗
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 OSTI2022

Radiation Damage Calculation Methodology

This report outlines the consensus radiation damage calculation methodology used by the Neutronics Analysis Group at Idaho National Laboratory. This methodology includes calculation of radiation damage rates via the Monte Carlo N-Particle (MCNP) code, and calculation of radiation damage in mixed materials, such as alloys. A consistent method for calculating the average displacement threshold energy of a mixed material has been established by the Neutronics Analysis Group. No standard method currently exists to account for radiation damage caused by neutron-induced transmutations. Only one documented case addresses transmutation radiation damage in materials containing nickel, and that method was incorporated by the Neutronics Analysis Group into their radiation damage calculation methodology.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Calculating Radiation Damage (DPA) from Transmutation Products

This is a poster for an INL poster session. Accurate models for radiation damage are crucial for predicting material performance in radiation environments. The uncertainty of state-of-the-art radiation damage models is large, contributing to excessive safety margins. A major source of this uncertainty is neglecting the effect that transmutation products have on radiation damage. Transmutation products are new nuclides formed by neutron activation during irradiation; they can contribute to radiation damage by additional neutron capture or decay events. Ignoring the contribution of transmutation products leads to a significant underprediction of the radiation damage (e.g., >10% error in 316 stainless steel). This underprediction is accounted for in part by adding larger safety margins to designs. Currently, the state of the art explicitly accounts for only a single transmutation product, namely nickel-59, during the radiation damage calculation. All other transmutation products are assumed to not contribute to the radiation damage, because there is currently no established method to systematically track all or a selection of radiation damage contributions of transmutation products during activation. In the case of nickel-59, the current method is to apply a precalculated correlation that cannot be used for any other nuclide and is largely dependent on all nuclear engineers being experts in this niche topic. This project proposed to methodically find other transmutation products that cause significant radiation damage, and then to develop a general framework for systematically tracking the radiation damage from these nuclides. This was accomplished by combining the radiation damage calculation into the transmutation calculation already performed for irradiated structural materials. The key idea of our framework is to introduce radiation-damage "pseudo-nuclides" to the list of nuclides used in the transmutation analysis. This allows radiation damage to be tracked alongside the creation and destruction of transmutation products. The main deliverable of this project is a general framework for computing radiation damage while the damaged material undergoes transmutation; this capability allows a significantly more accurate estimation of radiation damage, and in turn reduce required safety margins thereby reducing the cost to construct reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

A Quantum-Based Approach to Predict Primary Radiation Damage in Polymeric Networks

Initial atomistic-level radiation damage in chemically reactive materials is thought to induce reaction cascades that can result in undesirable degradation of macroscale properties. Ensembles of quantum-based molecular dynamics (QMD) simulations can accurately predict these cascades, but extracting chemical insights from the many underlying trajectories is a labor-intensive process that can require substantial a priori intuition. We develop here a general and automated graph-based approach to extract all chemically distinct structures sampled in QMD simulations and apply our approach to predict primary radiation damage of polydimethylsiloxane (PDMS), the main constituent of silicones. A postprocessing protocol is developed to identify underlying polymer backbone structures as connected components in QMD trajectories. Furthermore, these backbones form a repository of radiation-damaged structures. A scheme for extracting and updating a library of isomorphically distinct structures is proposed to identify the spanning set and aid chemical interpretation of the repository. The analyses are applied to ensembles of cascade QMD simulations in which the four element types in PDMS are selectively excited in primary knock-on atom events. Our approach reveals a much higher degree of combinatorial complexity in this system than was inferred through radiolysis experiments. Probabilities are extracted for radiation-induced network changes including formation of branch points, carbon linkages, cycles, bond scissions, and carbon uptake into the Si–O siloxane backbone network. The general analysis framework presented here is readily extendable to modeling chemical degradation of other polymers and molecular materials and provides a basis for future quantum-informed multiscale modeling of radiation damage.

36 MATERIALS SCIENCE↗
DOE OSTI2023

An Introduction to Radiation Damage in Minerals and Ceramics [Slides]

Radiation effects in minerals and ceramics are quite distinct from effects observed in metals. This is largely due to interactions between radiation and the electronic structure of insulating materials that are unique compared to metallic conductors. Most notably, insulators exhibit property changes when energetic particles lose energy to electrons in the solid, whereas metals are unaffected by electronic energy losses. In addition, displacive radiation damage effects (atoms being knocked off their lattice sites by energetic particles) are much more complex in insulators, due to the complexities of their crystal structures (multiple cation and anion sublattices). In this presentation, we will focus on the atomistic mechanisms responsible for radiation damage in minerals and ceramics, when energetic particles lose energy while penetrating a solid. We will consider several examples, including (i) irradiation induced color center formation in gemstones; (ii) latent defects in alkali halides (relevance to thermoluminescent detectors); (iii) radioactive decay-induced amorphization of natural minerals; and (iv) extended defect formation and phase stability in complex oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures

Radiation damage limits the accuracy of macromolecular structures in X-ray crystallography. Cryogenic (cryo-) cooling reduces the global radiation damage rate and, therefore, became the method of choice over the past decades. The recent advent of serial crystallography, which spreads the absorbed energy over many crystals, thereby reducing damage, has rendered room temperature (RT) data collection more practical and also extendable to microcrystals, both enabling and requiring the study of specific and global radiation damage at RT. Here, we performed sequential serial raster-scanning crystallography using a microfocused synchrotron beam that allowed for the collection of two series of 40 and 90 full datasets at 2- and 1.9-Å resolution at a dose rate of 40.3 MGy/s on hen egg white lysozyme (HEWL) crystals at RT and cryotemperature, respectively. The diffraction intensity halved its initial value at average doses ( D 1/2 ) of 0.57 and 15.3 MGy at RT and 100 K, respectively. Specific radiation damage at RT was observed at disulfide bonds but not at acidic residues, increasing and then apparently reversing, a peculiar behavior that can be modeled by accounting for differential diffraction intensity decay due to the nonuniform illumination by the X-ray beam. Specific damage to disulfide bonds is evident early on at RT and proceeds at a fivefold higher rate than global damage. The decay modeling suggests it is advisable not to exceed a dose of 0.38 MGy per dataset in static and time-resolved synchrotron crystallography experiments at RT. This rough yardstick might change for proteins other than HEWL and at resolutions other than 2 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2022

GaAs Neutron Response Functions and Radiation Damage Metrics

The radiation effects community needs clear, well-documented, neutron energy-dependent responses that can be used in assessing radiation-induced material damage to GaAs semiconductors and for correlating observed radiation-induced changes in the GaAs electronic properties with computed damage metrics. In support of the objective, this document provides: a) a clearly defined set of relevant neutron response functions for use in dosimetry applications; b) clear mathematical expressions for the defined response functions; and c) updated quantitative values for the energy- dependent response functions that reflect the best current nuclear data and modelling. This document recaps the legacy response functions. It then surveys the latest nuclear data and updates the recommended response function to support current GaAs damage studies. A detailed tabulation for six of the energy-dependent response functions is provided in an Appendix.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Size-dependent radiation damage mechanisms in nanowires and nanoporous structures

Nanostructures with a high density of interfaces, such as in nanoporous materials and nanowires, resist radiation damage by promoting the annihilation and migration of defects. This study details the size effect and origins of the radiation damage mechanisms in nanowires and nanoporous structures in model face-centered (gold) and body-centered (niobium) cubic nanostructures using accelerated multi-cascade atomistic simulations and in-situ ion irradiation experiments. Our results reveal three different size-dependent mechanisms of damage accumulation in irradiated nanowires and nanoporous structures: sputtering for very small nanowires and ligaments, the formation and accumulation of point defects and dislocation loops in larger nanowires, and a face-centered-cubic to hexagonal-close-packed phase transformation for a narrow range of wire diameters in the case of gold nanowires. Smaller nanowires and ligaments have a net effect of lowering the radiation damage as compared to larger wires that can be traced back to the fact that smaller nanowires transition from a rapid accumulation of defects to a saturation and annihilation mechanism at a lower dose than larger nanowires. These irradiation damage mechanisms are accompanied with radiation-induced surface roughening resulting from defect-surface interactions. Comparisons between nanowires and nanoporous structures show that the various mechanisms seen in nanowires provide adequate bounds for the defect accumulation mechanisms in nanoporous structures with the difference attributed to the role of nodes connecting ligaments in nanoporous structures. Altogether, our results shed light on the compounded, size-dependent mechanisms leading to the radiation resistance of nanowires and nanoporous structures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Atomistic modeling of radiation damage in crystalline materials

This review discusses atomistic modeling techniques used to simulate radiation damage in crystalline materials. Radiation damage due to energetic particles results in the formation of defects. The subsequent evolution of these defects over multiple length and time scales requiring numerous simulations techniques to model the gamut of behaviors. This work focuses attention on current and new methodologies at the atomistic scale regarding the mechanisms of defect formation at the primary damage state.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Investigations of radiation damaged arranged scintillating particle composites

Composites consisting of periodically arranged scintillating particles within an acrylic (poly methyl methacrylate) matrix are excellent templates for the gamma-insensitive detection of fast neutrons. In order to study the impact of radiation damage on acrylic-based scintillating particle composites, we exposed acrylic samples to different doses of fast neutrons up to 119.7 kGy and investigated the change in optical characteristics using optical absorption spectroscopy in the 200–800 nm wavelength range. The experimental results are compared to coupled MCNP6 and optical ray-tracing (FRED) simulations, and qualitative agreement is found. Neutron-induced radiation damage in the acrylic matrix manifests as a red-shift in the ultra-violet absorption edge of the acrylic and a corresponding decrease in the light propagation efficiency, which leads to detector performance degradation. We show for the first time that the effects of radiation damage can be mitigated by the use of wavelength-shifting coatings. We predict that composites with wavelength-shifting coatings can enable neutron detectors with high tolerance against neutron-induced radiation damage, a property that is particularly desired for neutron detection in high radiation environments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effects of radiation damage on the yielding and fracture of nanowires

Irradiated nanowires' strength can change with their diameter. Though damaged by radiation, defects get cleaned during loading, returning the nanowires to their pristine state. This suggests that radiation has little impact on their fracture behavior.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

The effects of microstructures and radiation damage on the deformation behavior of a HT-9 alloy using microtensile testing

Understanding the influence of radiation damage on the mechanical properties of HT-9 and other tempered martensitic alloys is part of the mission in developing radiation-tolerant materials for the next generation of nuclear reactors. Although there has been extensive data on the macroscopic mechanical properties of the irradiated HT-9 alloys and microstructural changes, it is not well-understood how radiation damage and the resulting microstructural changes influence the local mechanical properties. In this study, we utilized in situ SEM microtensile testing to investigate the deformation behavior of specific martensitic boundaries in 1 dpa proton-irradiated HT-9 and answered the question of what is the weakest link. Additionally, we provided the direct observation of the failure modes of microtensiles containing high angle and low angle martensitic boundaries. In the unirradiated condition, the deformation is ductile and no martensitic boundary failure is observed. In the irradiated condition, the high angle martensitic boundaries are more susceptible to radiation-induced boundary failure as compared to the low angle martensitic boundaries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗