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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
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Experimental and Theoretical Needs for the JWST Early Release Science Program on Radiative Feedback from Massive Stars (PDRs4ALL): III. A Quantum Chemistry Perspective

Massive stars disrupt their natal molecular cloud material by dissociating molecules, ionizing atoms and molecules, and heating the gas and dust. These processes drive the evolution of interstellar matter in our Galaxy and throughout the Universe from the era of vigorous star formation at z=1-3 to the present day. Much of this interaction occurs in Photo- Dissociation Regions (PDRs) where far-ultraviolet photons of these stars create a largely neutral, but warm region of gas and dust. PDR emission dominates the IR spectra of starforming galaxies and provides a unique tool to study the physical and chemical processes that are relevant for inter- and circumstellar media including diffuse clouds, molecular cloud and protoplanetary disk surfaces, and starburst galaxies. The ERS program ID1288 is dedicated to provide template data as well as data processing and analysis tools for PDRs. To this end, it will observe the Orion Bar, the proto-typical PDR situated in the nearby Orion Nebula, using NIRSpec IFU, MIRI IFU, and NIRCAM and MIRI imaging. These observations will, for the first time, spatially resolve and perform a tomography of the PDR, revealing the individual IR spectral signatures from the key zones and sub-regions within the ionized gas, the PDR, and the molecular cloud. Quantum chemistry can be used to determine molecular data such as ionization potentials, chemical reaction rates, electronic spectra, dissociation energies, channels, and branching ratios, etc. These are often used in synergy with experiment to take advantage of the strengths of each approach. An area of active research is modeling the infrared (IR) emission spectra produced by PAH molecules, including the effects of anharmonicity. This will be important in the interpretation of JWST data which will yield higher-resolution spectral data compared to Spitzer or ISO. Quantum chemistry methods can compute accurate anharmonic IR absorption spectra of PAH molecules up to about 25 C atoms, and the results have been benchmarked against high-resolution experimental spectra. These feed into a quantum Monte Carlo (QMC) approach to generate temperature-dependent anharmonic IR emission spectra and then used to generate fully anharmonic cascade emission IR spectra of PAH molecules -- the very type of spectra that JWST will observe. Work continues to extend these methods to larger PAH molecules. We will discuss the current state of this work, as well as

Timothy Lee↗
DOE OSTI2022

The effects of dose, dose rate, and irradiation type and their equivalence on radiation-induced segregation in binary alloy systems via phase-field simulations

Radiation-induced segregation is a phenomenon commonly observed in many alloys which consists of the redistribution of elements (solute or interstitial impurities) under irradiation. The onset and development of radiation-induced segregation can only occur when a sufficient flux of defects is sustained and defect sinks are present. Irradiation dose, dose rate, and particle types all affect defect flux. In this work, we employ a phase-field model to examine the effects of dose, dose rate, and type of incident particles on radiation-induced segregation behavior in a model binary alloy. The phase-field model takes into account the formation and evolution of point defects as well as defect clusters, the diffusion and clustering of alloy species, the presence of additional extrinsic defect sinks in the form of dislocations, and two different methods of radiation-damage insertion, which are intended to simulate either light-ion/electron irradiation via Frenkel pairs or heavy-ion irradiation in the form of cascades. Our results show a dose-rate and particle-type dependence on the amount of solute segregation. We show that the material systems exposed to higher dose rates are less subjected to solute segregation at equivalent doses. We also show that such dose-rate-dependence behavior is due to a delay of the incubation dose at which radiation-induced segregation effectively starts. Particle type and the presence of dislocations can accentuate this behavior. Our model predictions correlate with many experimental observations made over the years on radiation-induced segregation providing credence to the simulation results. The methodology presented in this study allows for a first-order prediction of the dose rate at which proxy irradiation experiments could be performed to approximate radiation-induced segregation behaviors seen in targeted irradiation conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Super-strong magnetic field-dominated ion beam dynamics in focusing plasma devices

High energy density physics is the field of physics dedicated to the study of matter and plasmas in extreme conditions of temperature, densities and pressures. It encompasses multiple disciplines such as material science, planetary science, laboratory and astrophysical plasma science. For the latter, high energy density states can be accompanied by extreme radiation environments and super-strong magnetic fields. The creation of high energy density states in the laboratory consists in concentrating/depositing large amounts of energy in a reduced mass, typically solid material sample or dense plasma, over a time shorter than the typical timescales of heat conduction and hydrodynamic expansion. Laser-generated, high current–density ion beams constitute an important tool for the creation of high energy density states in the laboratory. Focusing plasma devices, such as cone-targets are necessary in order to focus and direct these intense beams towards the heating sample or dense plasma, while protecting the proton generation foil from the harsh environments typical of an integrated high-power laser experiment. A full understanding of the ion beam dynamics in focusing devices is therefore necessary in order to properly design and interpret the numerous experiments in the field. In this work, we report a detailed investigation of large-scale, kilojoule-class laser-generated ion beam dynamics in focusing devices and we demonstrate that high-brilliance ion beams compress magnetic fields to amplitudes exceeding tens of kilo-Tesla, which in turn play a dominant role in the focusing process, resulting either in a worsening or enhancement of focusing capabilities depending on the target geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2011

Radiation Shielding of Lunar Regolith/Polyethylene Composites and Lunar Regolith/Water Mixtures

Space radiation is a complex mixed field of ionizing radiation that can pose hazardous risks to sophisticated electronics and humans. Mission planning for lunar exploration and long duration habitat construction will face tremendous challenges of shielding against various types of space radiation in an attempt to minimize the detrimental effects it may have on materials, electronics, and humans. In late 2009, the Lunar Crater Observation and Sensing Satellite (LCROSS) discovered that water content in lunar regolith found in certain areas on the moon can be up to 5.6 +/-2.8 weight percent (wt%) [A. Colaprete, et. al., Science, Vol. 330, 463 (2010). ]. In this work, shielding studies were performed utilizing ultra high molecular weight polyethylene (UHMWPE) and aluminum, both being standard space shielding materials, simulated lunar regolith/ polyethylene composites, and simulated lunar regolith mixed with UHMWPE particles and water. Based on the LCROSS findings, radiation shielding experiments were conducted to test for shielding efficiency of regolith/UHMWPE/water mixtures with various percentages of water to compare relative shielding characteristics of these materials. One set of radiation studies were performed using the proton synchrotron at the Loma Linda Medical University where high energy protons similar to those found on the surface of the moon can be generated. A similar experimental protocol was also used at a high energy spalation neutron source at Los Alamos Neutron Science Center (LANSCE). These experiments studied the shielding efficiency against secondary neutrons, another major component of space radiation field. In both the proton and neutron studies, shielding efficiency was determined by utilizing a tissue equivalent proportional counter (TEPC) behind various thicknesses of shielding composite panels or mixture materials. Preliminary results from these studies indicated that adding 2 wt% water to regolith particles could increase shielding of the regolith materials by about 6%. The findings may be utilized to extend the possibilities of potential candidate materials for lunar habitat structures, will potentially impact the design criteria of future human bases on the moon, and provide some guidelines for future space mission planning with respect to radiation exposure and risks posed on astronauts.

Johnson, Quincy F.↗
DOE OSTI2023

Designing a boron nitride polyethylene composite for shielding neutrons

Neutrons are encountered in many different fields, including condensed matter physics, space exploration, nuclear power, and healthcare. Neutrons interacting with a biological target produce secondary charged particles that are damaging to human health. The most effective way to shield neutrons is to slow them to thermal energies and then capture the thermalized neutrons. These factors lead us to consider potential materials solutions for neutron shields that maximize the protection of humans while minimizing the shield mass and adapt well to modern additive manufacturing techniques. Using hexagonal boron nitride (hBN) as a capture medium and high-density polyethylene (HDPE) as a thermalization medium, we aim to design the optimal internal structure of h 10 BN/HDPE composites by minimizing the effective dose, which is a measure of the estimated radiation damage exposure for a human. Through Monte Carlo simulations in Geant4, we find that the optimal structure reduces the effective dose up to a factor of 72 over aluminum (Al) and up to a factor of 4 over HDPE; this is a significant improvement in shielding effectiveness that could dramatically reduce the radiation exposure of occupational workers.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Optical transmission and dimensional stability of single-crystal sapphire after high-dose neutron irradiation at various temperatures up to 688 °C

The use of single-crystal sapphire optical fibers has been considered to extend fiber-optic sensing to the extreme temperature (>1000 °C) environments encountered in nuclear applications. However, before these sapphire fiber–based sensors can be deployed, their optical transmission and dimensional stability (which impacts drift of some sensors) must be characterized under representative testing conditions. Data regarding the optical transmission of sapphire following high-dose neutron irradiation at temperatures >100 °C is extremely limited. This work provides measurements of optical density (i.e., attenuation) and directional dimensional changes in bulk single-crystal sapphire materials irradiated to a fast neutron fluence of 2.4 × 10 21 n/cm 2 (3.5 displacements per atom) at temperatures ranging from 95 to 688 °C. Optical density measured after irradiation at 95 and 298 °C showed ultraviolet and visible absorption bands corresponding to known defect centers and temperature trends that were generally consistent with previous ex situ and in situ measurements made at much lower neutron fluence. However, optical density measured after irradiation at 688 °C was as much as two orders of magnitude higher, indicating that the fundamental mechanism for radiation-induced attenuation changes at this irradiation temperature. Additional analysis and comparison with previous works suggest that the attenuation may result from void formation, leading to increased Rayleigh scattering losses in the material and increased swelling that would also result in drift of Bragg grating-based sensors in sapphire fibers. These results pose serious questions regarding the feasibility of sapphire fiber–based sensors for high-temperature nuclear applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Complexity of segregation behavior at localized deformation sites formed while in service in a 316 stainless steel baffle-former bolt

Here, post-irradiation evaluation was performed on a 316 stainless steel baffle former bolt harvested after 40 years of service in a pressurized water reactor. Microstructure analysis revealed the presence of defect-free dislocation channels and strain-induced twins, indicative of loading at a stress level close to yield stress at least once while in service. Primary radiation-induced Ni/Si precipitates were destroyed during channel and twin formation, and secondary, significantly coarser Ni/Si precipitates formed along newly formed Σ3 boundaries during the continued irradiation. Additionally, an elevated phosphorus level was observed inside the strain-induced twin. Complex chemistry inside the strain-induced feature may overlap with dislocation pileups and impact localized corrosion, material long-term performance, and safety.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Effect of Production Bias on Radiation-Induced Segregation in Ni-Cr Alloys

We present an in-depth investigation into the Radiation-Induced Segregation (RIS) phenomenon in Ni-Cr alloys. All the pivotal factors affecting RIS such as surface’s absorption efficiency, grain size, production bias, dose rate, temperature, and sink density were systematically studied. Through comprehensive simulations, the individual and collective impacts of these factors were analyzed, enabling a refined understanding of RIS. A notable finding was the significant influence of production bias on point defects’ interactions with grain boundaries/surfaces, thereby playing a crucial role in RIS processes. Production bias alters the neutrality of these interactions, leading to a preferential absorption of one type of point defect by the boundary and consequent establishment of distinct surface-mediated patterns of point defects. These spatial patterns further result in non-monotonic spatial profiles of solute atoms near surfaces/grain boundaries, corroborated by experimental observations. In particular, a positive production bias, signifying a higher production rate of vacancies over interstitials, drives more Cr depletion at the grain boundary. Moreover, a temperature-dependent production bias must be considered to recover the experimentally reported dependence of RIS on temperature. The severity of radiation damage and RIS becomes more pronounced with increased production bias, dose rate, and grain size, while high temperatures or sink density suppress the RIS severity. Model predictions were validated against experimental data, showcasing robust qualitative and quantitative agreements. The findings pave the way for further exploration of these spatial dependencies in subsequent studies, aiming to augment the comprehension and predictability of RIS processes in alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Temperature and radiation effects on brittle versus ductile fracture behavior in miscible phase boundaries: insight from atomistic simulations

Temperature- and irradiation-assisted failure mechanisms in miscible phase boundaries are clarified via atomistic calculations. We first establish the temperature-dependent brittle-to-ductile transition in U–Zr miscible phase boundaries. Our results confirm that these boundaries are mostly brittle at low temperatures and ductile at elevated temperatures. We then investigate the changes induced by irradiation on the fracture mechanisms in such phase boundaries. The irradiation-induced defect accumulation follows a multi-stage process that starts with the accumulation of isolated small dislocation loops before transitioning to the saturation and growth of larger dislocation loops and end up with a reorganization into forest dislocations. The accumulation of loops is the primary feature to participate in the delineation between brittle and ductile interfacial fracture in irradiated phase boundaries. At low damage levels, radiation defect interactions with the crack tip are limited and U–Zr miscible boundaries fail through the emission of dislocations ahead of the crack tip followed by brittle cleavage in agreement with the classical Griffith’s criterion for crack stability. At higher damage levels, the failure mode transitions from brittle crack growth to ductile void growth. In this case, the microcrack tip is blunted by the high density of pre-existing, radiation-induced defects in the vicinity of the crack. This interaction leads to the development and growth of a cavity at the interface as opposed to interfacial cleavage.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Radiation Tolerance of Nanoporous Gadolinium Titanate

Defect sinks play a crucial role in reducing radiation-induced damage accumulation, but their effectiveness varies. This study directly compares the efficacy of grain boundaries and pores (free surfaces) in gadolinium titanate (Gd 2 Ti 2 O 7 ) using in situ ion irradiation transmission electron microscopy (TEM). A unique sample configuration is developed, where each of the three distinct regions, each containing only one primary sink of interest, is in the same TEM lamella for simultaneous irradiation. Regular assessments of crystallinity in each region via nanobeam electron diffraction show that, at both room temperature and 600°C, free surface (pore) defect sinks are more effective than grain boundaries in capturing radiation-induced defects and delaying the onset of amorphization. These findings have significant implications for further microstructural engineering and the design of radiation-resistant microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

4D evolution of Cr 23 C 6 precipitates in neutron-irradiated and annealed HT-UPS steel observed via synchrotron micro-computed tomography

High-temperature-ultrafine precipitate strengthened (HT-UPS) steel is a potential structural material for advanced nuclear reactors; however, its irradiation response is not well understood. This research provides insight into irradiation-induced effects, such as precipitate evolution mechanisms and four-dimensional morphological evolution, in HT-UPS steel using synchrotron micro-computed tomography. Identical specimens were characterized pre-irradiation and post-irradiation following neutron exposure up to 0.3 displacements per atom at 600 °C. Irradiation effects were also differentiated from the annealing response of precipitates. Following neutron irradiation, the average Cr 23 C 6 precipitate size reduced, affected by the synergy of nucleation and growth, ballistic dissolution, and inverse coarsening, which was observed at fluences an order of magnitude lower than previously observed. Annealing at 600 °C for 32 h increased the average Cr 23 C 6 precipitate size and decreased the phase fraction, attributed to precipitate coarsening. The precipitate morphology evolution and resultant mechanisms can be utilized to parameterize and validate microstructural models simulating radiation damage or annealing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Radiation-induced negative optical nonlinearities in fused silica, sapphire, and borosilicate glass

Here, negative nonlinear absorption is reported in neutron- and gamma-irradiated high-OH content fused silica, low-OH content fused silica, sapphire, borosilicate glass, and radiation-resistant borosilicate glass irradiated to total neutron fluences of 3.4 × 10 16 n ∙ cm –2 (42 Mrad γ), 1.7 × 10 17 n ∙ cm –2 (211 Mrad γ), and 3.6 × 10 17 n ∙ cm –2 (433 Mrad γ). Nonlinear absorption coefficients were measured via Z-scan and are on the order of – (10 –14 –10 –10 ) m∙W –1 . The Z-scan also reveals a negative nonlinear index of refraction in neutron- and gamma-irradiated radiation-resistant borosilicate glass on the order of –10 –19 m 2 ∙ W –1 . Thermal annealing at temperatures up to 800 °C is shown to restore these nonlinearities to their positive unirradiated values in all four materials. All Z-scan measurements were performed at 532 nm with a nanosecond pulsed laser. The occurrence of negative nonlinearities may be attributed to the presence of metallic impurities and the resulting saturable absorption. A limited effect of photobleaching is observed in measurements and is quantified in multiple Z-scans.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Report on the Integration of Experimental and Modeling Data for Initial Equivalence Study of Microstructural Evolution in Irradiated LPBF 316SS

Advanced materials and manufacturing technologies are poised to improve the safety and design characteristics of nuclear technologies and meet US energy, environmental, and economic needs. In particular, metal additive manufacturing (AM) provides an opportunity to produce novel materials and component geometries, but their use is not without hurdles arising from the inherent microstructure variability that can result from the layer-by-layer build approach. Given the greater possible microstructure variability in AM materials—and the dearth of materials test reactors—it is impractical to rely solely on neutron irradiation studies to produce data for materials qualification for every possibility. This work within the Advanced Materials and Manufacturing Technologies (AMMT) Environmental Effects technical area contributes to the rapid qualification framework by developing a science-driven framework for the accelerated qualification of materials for nuclear environments. A key product of the Environmental Effects technical area of the AMMT program is the Licensing Approach with Ions and Neutrons (LAIN). This approach recognizes that whether using existing materials in new environments, newly developed materials tailored for these environments, or new manufacturing methods, the traditional decades-long approach for materials qualification does not facilitate rapid deployment. In FY 2023, the AMMT program presented a conceptual framework of specific steps to fulfill several technical challenges associated with qualifying materials for performance in radiation environments on an accelerated time frame informed by the state of the art in materials science and a review of the current regulatory landscape. The objective of this section of the Environmental Effects technical area is to critically evaluate and refine the proposed qualification framework presented under AMMT by integrating the research results of the neutron irradiations, the ion irradiations, and modeling efforts. These ongoing efforts span across Argonne National Laboratory (ANL), Idaho National Laboratory (INL), and Oak Ridge National Laboratory (ORNL) and are closely coordinated.

36 MATERIALS SCIENCE↗
DOE OSTI2019

2019 LLNL Nuclear Science and Security Summer Internship Program

The Lawrence Livermore National Laboratory (LLNL) Nuclear Science and Security Summer Internship Program (NS 3 IP) is designed to give graduate students an opportunity to come to LLNL for 8-10 weeks of hands-on research. Students conduct research under the supervision of a staff scientist, attend a weekly lecture series, interact with other students, and present their work in poster format at the end of the program. Students also have the opportunity to meet staff scientists one-on-one, participate in LLNL facility tours (e.g., the National Ignition Facility and Center for Accelerator Mass Spectrometry), and gain a better understanding of the various science programs at LLNL.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2021

Seeing through nuclear fuel: Three-dimensional, nondestructive X-ray microscopy and volumetric analyses of neutron-irradiated TRISO-coated fuel kernels

The three-dimensional (3D) characterization of nuclear fuel with X-ray microscopy has historically proven difficult, due to uranium’s high attenuation of easily accessible X-rays, both in a laboratory setting and at a synchrotron user facility. However, this imaging modality provides nondestructive information that can be used to investigate morphological changes arising from external stimuli (e.g., neutron irradiation, high-temperature testing). Using an appropriate X-ray energy spectrum and an adequate X-ray filter, suitable transmissions through properly sized nuclear fuel specimens can be achieved. Here, in this study, we present the methods and results of using a commercially available, laboratory-based X-ray microscope (XRM) to examine the extent of 3D morphological changes of tristructural isotropic (TRISO)-coated fuel particles, specifically uranium oxide/uranium carbide fuel kernels, after high-temperature neutron irradiation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗