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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 289 records · Page 16
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DOE OSTI2022

Ytterbium Ion Collection on Graphite Plates

Surface characterization and analysis of the graphite collection and strike plates was conducted in this report. These plates were from an electromagnetic isotope separation collector that had been irradiated with an ytterbium ion beam. The results of this study are reported along with analysis and discussion of the potential growth mechanism of the ytterbium layer on graphite. It is proposed that directional deposition of ytterbium ions occurs first in the defect regions of the graphite plate. As deposition continues, it leads to the eventual formation of directional globs that elongate and grow into plates, then stacks, and finally into sheets of ytterbium. The ytterbium layer appears to have a definite phase boundary with the graphite layer. It was also determined that during irradiation with the ytterbium ion beam, the sputtered carbon becomes interpolated in the ytterbium surface layer on the graphite plate and has an amorphous microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Status of ORNL TSL evaluations [Slides]

This lecture provides details on the status of ORNL TSL evaluations. Main sections include modeling of concrete, updates of polyethylene evaluation, and initial transmission measurements at Oak Ridge National Labatory (ORNL). The presentation Conclusions show that literature review and initial modeling of concrete components have been performed. INS and transmission measurements of concrete and hydrated cement have been also planned. Additionally, A new TSL library for Polyethylene was created and submitted to NNDC and development for a new transmission capability at ORNL is underway.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Second Target Station Target Segment PIE Dose Estimates

The purpose of the analysis described in this document is to support post irradiation examination (PIE) future decisions as related to the Second Target Station (STS) Project. The STS Project is discussing plans for future PIE studies, and the radionuclide inventories and dose rates included in this study will aid decision makers as they consider the need for various PIE-related machinery. Three configurations of the lasagna-type target segment are evaluated for this analysis: a single bare tungsten plate, a slice of the segment containing a single tungsten plate, and the upstream half of a segment. The lasagna type target segment used in this analysis has a precipitation hardenable nickel alloy (UNS N07718 or inconel 718) shroud, copper (C10100) cladding, and pure tungsten plates. The target segment is evaluated for 10 years of operation followed by two decay periods: 6 months and 2 years. For each decay period, decay gamma dose rates are tallied 30 cm from the upstream, downstream, top, bottom, and sides of the configurations. Radionuclide inventories are also provided in this report separated by material. The highest dose rates calculated in this study are 2872 rem/hr 30 cm away from the top and bottom of the half-target configuration after 6 months of decay.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Graph-theoretical KMC Framework for Calculating Effective Diffusivity in TPBAR Components: Effective Diffusivity of Tritium in α-Zr Grain Boundaries

We report the development of a computer simulation tool based on the Graph-theoretical kinetic Monte Carlo (GT-KMC) approach that can be used to simulate diffusion and derive effective diffusivity of species in complex structures of TPBAR components. The GT-KMC framework was implemented in AKSOME, an on-lattice self-learning kinetic Monte Carlo tool developed at PNNL and was previously used to study solute diffusion in metal alloys. This newly developed tool will be helpful in simulating atom diffusion and extracting their effective diffusivities in grain boundaries and interfaces in various TPBAR components. Once benchmarked, the tool will be used to simulate the diffusion of tritium (hydrogen) along grain boundaries in α-Zr using the activation energy barrier data previously obtained from Density Functional Theory calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Measurements of emanation of Ar-37 and Ar-39 from irradiated rocks and powders

The emanation fraction of radionuclides has been highlighted as a known source of uncertainty in the estimation of radionuclide source signatures from underground nuclear tests and other nuclear activities, particularly in the case of activation products. A system was developed at Pacific Northwest National Laboratory to quantify the emanation fraction of argon from samples ranging in particle size from powder to small rocks. Seven materials, two powders and five rock types, were irradiated with fission spectrum neutrons and the emanation fraction of 37 Ar was measured. Additional measurements were made of the 39 Ar emanation for four of these materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

2022 Quantum Materials Young Investigators Workshop Report

The fifth edition of the workshop “Quantum Materials Young Investigators” was held August 18-19, 2022 at the Oak Ridge National Laboratory (ORNL). This workshop followed up on previous meetings that took place at ORNL starting in 2016. This important series of annual workshops, organized by Adam Aczel and Stuart Calder, ensures continuous engagement with the early career principal investigators (PIs) of the quantum materials neutron scattering community. Through a series of short scientific talks presented by the external PIs, members of the Neutron Scattering Division (NSD) learn about their scientific interests and needs. Presentations from ORNL staff members also help to inform the external PIs about the current state of ORNL’s quantum materials neutron scattering program. Topics covered include neutron scattering instruments, sample environment, neutron polarization, data reduction, visualization, and analysis, and future neutron scattering and complementary capabilities. Feedback is solicited from the external PIs in some or all of these key areas and communicated to NSD management in the form of a workshop report. This workshop series also helps to foster collaborations between NSD scientists and the research groups of the external PIs and plays an important role in attracting new neutron scattering users.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Report on initial development of a database of nuclear graphite characteristics based on microstructural characterization

This report outlines the current and future efforts to produce a comprehensive library of microstructures of nuclear graphite and carbon-based materials that are candidate materials for nuclear applications in the United States. This library must contain extensive characterizations of unirradiated graphite materials, a guide to some of the techniques used to characterize graphite, a compendium of characterization data of neutron-irradiated or oxidized material, and a compendium of microstructural information of carbon-based materials. These characterization efforts are being conducted at various length scales to understand these complex materials’ local structure and property relationships. Achieving this goal requires further developing or adapting advanced characterization techniques that capture graphite’s most relevant characteristics. Some of the general objectives of this project are to aid with the material selection, licensing, management, and core assessments of a graphite core by documenting the unirradiated microstructure of relevant grades or by characterizing the evolution of the microstructure under the reactor environment. Moreover, this project aims to provide additional information, guidelines for characterizing graphite, and a protocol to assess a nuclear graphite grade. This report also summarizes some of the initial results and some of the techniques commonly used to characterize nuclear graphite.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Science &Technology Review (October/November 2022)

Livermore researchers seek to understand the disease mechanism of amyotrophic lateral sclerosis (ALS) and, with that knowledge, identify therapies to cure this always-fatal disease. As the article beginning on p. 4 describes, the ALS research effort combines Laboratory core competencies in bioscience, engineering, computational modeling, and data science.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Multi-Probe FY25 Omega EP Shot Request [Slides]

The goal of the Multi-Probe experimental campaign is to assess the feasibility of using multiple probe types (x ray, proton, neutron, and electron) in future LANL radiographic facilities. X-ray and proton platforms have been demonstrated. The first attempts at simultaneous radiography were hampered by cross talk, which was the subject of FY23 & FY24 experiments. The major goal for FY25 is to demonstrate simultaneous radiography of both static and dynamic objects.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The Scientific Case for Concurrent Neutron and X-ray Scattering and Spectroscopy

The interrogation of materials with X-rays or neutrons to determine the structure, energetics, and dynamics of materials is fundamental to advancing materials' physical and chemical science and developing innovative material technologies. A transcending challenge in developing novel materials is that progress hinges on understanding the structure and dynamics across multiple time and length scales in complex materials that feature multiple components, interfaces, and compositions. Despite the ever-growing demands on materials’ characterization, existing approaches are almost exclusively based on isolated X-ray or neutron scattering, i.e., an approach commensurate with the more narrowly defined needs of fifty years ago. A three-day workshop sponsored by the U.S. National Science Foundation (NSF) analyzed the demand for concurrent neutron and X-ray (NeX) experiments. It was held at the Spring Hill Suites, San Jose, California, from June 2 to 4, 2022. In this workshop, 70 national and international experts ascertained the crucial need to establish NeX capabilities to advance the science of complex materials and systems in the US. Here, we illustrate the need for NeX scattering and spectroscopy experiments by showcasing examples that span areas as diverse as biomaterials, energy science, soft matter, and nanomaterials. To provide NeX capability will require new instrumentation that enables concurrent experiments. Affected areas include chemistry, soft matter, quantum materials, pure and applied chemistry, bioscience, geoscience, and applied materials. NeX benefits research outcomes due to the complementarity of the two techniques, which is essential for better model refinement. While joint refinement of data from separate neutron and X-ray experiments is critical to avoid ambiguities, especially in multiphase-multicomponent materials, concurrent experiments overcome scientific and technical barriers associated with single measurements, separated by location and, thus, time. Among all the examples, these factors introduce uncertainties in the results that complicate data analysis. [1,2] [3] While models are strongly sample-dependent, the principles of joint refinement are generally applicable to these disciplines, including the development of advanced parameterization, modeling, and analysis techniques that also consider the temporal and spatial resolutions of the two methods, leading to unambiguous data interpretation. Solutions for technical barriers must be found to realize NeX experiments, including developing robust sample environments that meet the optical requirements of neutrons and X-rays.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Characterize and control the multi-range structure of solution-phase systems with resonant x-ray scattering

This work aims at demonstrating the feasibility and impact of Anomalous X-ray Scattering (AXS) in characterizing the multi-range structures of solution-state systems. We will show preliminary investigation of long-range correlations in concentrated aqueous electrolytes with a combination of AXS and molecular dynamics (MD) simulations. We will also start exploring the capability of AXS to capture intra- and inter-molecular structure of dilute molecular systems, and specifically its sensitivity to the chemical environment surrounding active metal sites. We anticipate that the development of this method will help us to understand ion solvation and transport, which affect the performances of, for instance, electrocatalytic cells, as well as to identify/control the intrinsic structural factors that lead to selectivity, efficiency, and stability control during catalysis.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Neutron Scattering in High Magnetic Fields: Community Recommendations to Seize the Moment for Scientific Breakthroughs

Oak Ridge National Laboratory (ORNL) operates the world’s two most powerful neutron sources: the High Flux Isotope Reactor (HFIR) and the Spallation Neutron Source (SNS). These form a national user facility that provides neutron scattering instruments to probe and image static and dynamic properties of materials down to the atomic scale. Because the neutron carries a magnetic moment and the energies and wavelengths of neutrons match energy and length scales associated with magnetic materials, these facilities provide unique sensitivity to magnetism.

36 MATERIALS SCIENCE↗
DOE OSTI2022

EDEN Tube Interface Characterization Report

In 2022 Eden Radioisotopes and Los Alamos National Laboratory entered into a Creative Research and Development Agreement (CRADA) leveraging the metallography capabilities of the Characterization and Special Projects Team of Sigma-2 at LANL. EDEN identified a need to characterize the condition of metallic interfaces within their product created at different pressure conditions to see which processing parameters achieved interfaces within specifications for intended use. A total of 4 samples were sent to the Characterization Projects team and 3 were later sent to another facility (MST-7) where Micro CT was performed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

ZrN Phase Formation, Hardening and Nitrogen Diffusion Kinetics in Plasma Nitrided Zircaloy-4

Plasma nitridation was conducted to modify the surfaces of Zircaloy-4. Scanning electron microscopy (SEM), transmission electron microscopy (TEM), and Raman analysis were used to characterize microstructures and phases. Surface indentation and cross-sectional indentation were performed to evaluate mechanical property changes. Nitridation forms a thin layer of ZrN phase, followed by a much deeper layer affected by nitrogen diffusion. The ZrN phase is confirmed by both TEM and Raman characterization. The Raman peaks of ZrN phase show a temperature dependence. The intensity increases with increasing nitridation temperatures, reaches a maximum at 700 °C, and then decreases at higher temperatures. The ZrN layer appears as continuous small columnar grains. The surface polycrystalline ZrN phase is harder than the bulk by a factor of ~8, and the nitrogen diffusion layer is harder by a factor of ~2–5. The activation energy of nitrogen diffusion was measured to be 2.88 eV. The thickness of the nitrogen-hardened layer is controllable by changing the nitridation temperature and duration.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mechanistic Fission Gas Release Uncertainty Induced by Microstructure Data

Fission Gas Release (FGR) is an important engineering safety parameter for nuclear fuel. While fuel performance modeling with BISON currently relies on mechanistic models to predict it, comparison with experimental data shows both under or over prediction depending on operation mode (steady or transient).Predicting microstructure data is essential to accurately predicts the engineering scale parameters. An important source of uncertainty in mechanistic models arises from the missing captured physics. Continuous validation and refinement of these models against experimental data are also necessary to ensure their reliability and accuracy in predicting engineering parameters.

36 - MATERIALS SCIENCE↗
DOE OSTI2020

Thermal transport across nanoscale damage profile in sapphire irradiated by swift heavy ions

In this work, we studied the degradation of thermal conductivity in single crystal sapphire (α-Al 2 O 3 ) irradiated by 167 MeV Xe swift heavy ions (SHIs) over the multiple fluences in the range of 10 12 –10 14 ions/cm 2 . Thermal conductivity was measured primarily in the cross-plane direction using a noncontact ultrafast optical pump-probe technique called picosecond time domain thermoreflectance (TDTR). Multiple samples with variable ion fluences allowed us to probe distinct regions resulting from different regimes of microstructure evolution caused by electronic energy loss. By tuning the penetration depth of the thermal waves using different modulation frequencies, two regions with distinct conductivities were identified and the values of which were found to be consistent with phonon-mediated thermal transport models while the microstructure was confirmed by electron microscopy characterization. These damaged regions were determined to be a several micrometer thick ion track region and several tens of nanometer-thick amorphous layer present only above 5.0 × 10 13 ions/cm 2 . These results demonstrate the applicability of TDTR to resolve thermal transport behavior in SHI irradiated oxides having nonhomogeneous damage profile on a nanometer scale. The presented approach facilitates future studies aiming at resolving the impact of distinct damage resulting from electronic and nuclear stopping regimes under irradiation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Structure and migration of heavily irradiated grain boundaries and dislocations in Ni in the athermal limit

The microstructural evolution at and near preexisting grain boundaries (GBs) and dislocations in materials under high radiation doses is still poorly understood. In this work, we use the creation relaxation algorithm (CRA) developed for atomistic modeling of high-dose irradiation in bulk materials to probe the athermal limit of saturation of GB and dislocation core regions under irradiation in fcc Ni. We find that, upon continuously subjecting a single dislocation or GB to Frenkel pair creation in the athermal limit, a local steady-state disordered defect structure is reached with excess properties that fluctuate around constant values. Case studies are given for a straight screw dislocation which elongates into a helix under irradiation and several types of low- and high-angle GBs, which exhibit coupled responses such as absorption of extrinsic dislocations, roughening, and migration. A positive correlation is found between the initial GB energy and the local steady-state GB energy under irradiation across a wide variety of GB types. Metastable GB structures with similar density in the defect core region but different initial configurations are found to converge to the same limiting structure under CRA. The mechanical responses of pristine and irradiated dislocations and GB structures are compared under an applied shear stress. Irradiated screw and edge dislocations are found to exhibit a hardening response, migrating at larger flow stresses than their pristine counterparts. Mobile GBs are found to exhibit softening or hardening responses depending on GB character. Although some GBs recover their initial pristine structures upon migration outside of the radiation zone, many GBs sustain different flow stresses corresponding to altered mobile core structures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Investigation of compression of indirect-drive targets under conditions of the NIF facility using one-dimensional modelling

The indirect compression dynamics of targets containing capsules with ablators of a plastic, high-density carbon and beryllium is simulated in the framework of a one-dimensional model based on the 1D RADIAN code. Experiments with such targets are performed on the NIF facility in the Livermore Laboratory (USA) in 2014 – 2018. The 1D simulation data are consistent with the results of experiments and calculations made at this Laboratory. The effect of the hard part of hohlraum radiation on capsule compression parameters is confirmed. We demonstrate the feasibility of eliminating this influence not only by selecting the hohlraum material but also by introducing admixtures into the capsule that absorb this radiation. It is shown how varying the amount of admixture in the capsule ablator varies the spectrum of the radiation that heats the DT fuel. (interaction of laser radiation with matter. laser plasma)

36 MATERIALS SCIENCE↗