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At least 127 records · Page 7

Design and development of equi-atomic refractory High Entropy Alloys for use in radiation environments

Development of new structural materials that can withstand the extreme environments of nuclear reactors where the materials are exposed to high dose rate of ~ 30 200 dpa, high temperatures of the order of 500 1000 o C and tens of years of operation is vital for exploiting the “smallest carbon footprint energy source” to its fullest, in order to deal with the energy crisis worldwide. Recently, HEAs have shown superior irradiation properties over conventional alloys like higher resistance to defect formation, lower void swelling, limited irradiation hardening and higher microstructural stability under irradiation, making them potential structural material candidates for reactors. Proper characterization and testing of these materials are essential before they can replace the conventional alloys.

36 MATERIALS SCIENCE↗

Implications of Microstructure in Helium-Implanted Nanocrystalline Metals

Helium bubbles are known to form in nuclear reactor structural components when displacement damage occurs in conjunction with helium exposure and/or transmutation. If left unchecked, bubble production can cause swelling, blistering, and embrittlement, all of which substantially degrade materials and—moreover—diminish mechanical properties. On the mission to produce more robust materials, nanocrystalline (NC) metals show great potential and are postulated to exhibit superior radiation resistance due to their high defect and particle sink densities; however, much is still unknown about the mechanisms of defect evolution in these systems under extreme conditions. Here, the performances of NC nickel (Ni) and iron (Fe) are investigated under helium bombardment via transmission electron microscopy (TEM). Bubble density statistics are measured as a function of grain size in specimens implanted under similar conditions. While the overall trends revealed an increase in bubble density up to saturation in both samples, bubble density in Fe was over 300% greater than in Ni. To interrogate the kinetics of helium diffusion and trapping, a rate theory model is developed that substantiates that helium is more readily captured within grains in helium-vacancy complexes in NC Fe, whereas helium is more prone to traversing the grain matrices and migrating to GBs in NC Ni. Our results suggest that (1) grain boundaries can affect bubble swelling in grain matrices significantly and can have a dominant effect over crystal structure, and (2) an NC-Ni-based material can yield superior resistance to irradiation-induced bubble growth compared to an NC-Fe-based material and exhibits high potential for use in extreme environments where swelling due to He bubble formation is of significant concern.

36 MATERIALS SCIENCE↗

The stable carbon isotope fractionation of methanogenesis products at complete carbon consumption

The stable carbon isotope signature (δ 13 C) of methane (CH 4 ) is used to discriminate between biological, thermogenic, and abiotic sources. Methanogens, or methane producing archaea, inhabit a broad range of chemical conditions. Many of these environments are replete in dissolved inorganic carbon (DIC), causing isotopically depleted δ 13 C biogenic CH 4 . However, some extreme environments inhabited by methanogens, such as serpentinising systems, exhibit low carbon dioxide (CO 2 ) availability, replete H 2 , and isotopically enriched δ 13 C CH 4 that is outside the known biogenic range. We measured the δ 13 C of CO 2 , biomass, lipids, and CH 4 during hydrogenotrophic methanogenesis under hydrogen replete conditions with a limited carbon pool to investigate carbon isotope dynamics at complete DIC consumption. As theory predicts, we found that the final, accumulated methane δ 13 C values closely reflect the δ 13 C of the initial DIC supply, and that methane is more 13 C enriched than biomass and lipids. This provides the first experimental evidence that methanogens can achieve complete carbon consumption and thus can produce accumulated CH 4 products that isotopically reflect the initial CO 2 . These data show that the range of possible δ 13 C values from biogenic methane needs to be expanded for natural environments impacted by extreme carbon limitation.

biomass↗

Path-Integrated Stereo X-Ray Digital Image Correlation: Resolving the Violation of Conservation of Intensity

In this study, x-ray imaging addresses many challenges with visible light imaging in extreme environments, where optical diagnostics such as digital image correlation (DIC) and particle image velocimetry (PIV) suffer biases from index of refraction changes and/or cannot penetrate visibly occluded objects. However, conservation of intensity—the fundamental principle of optical image correlation algorithms—may be violated if ancillary components in the X-ray path besides the surface or fluid of interest move during the test. The test series treated in this work sought to characterize the safe use of fiber-epoxy composites in aerospace and aviation industries during fire accident scenarios. Stereo X-ray DIC was employed to measure test unit deformation in an extreme thermal environment involving a visibly occluded test unit, incident surface heating to temperatures above 600°C, and flames and soot from combusting epoxy decomposition gasses. The objective of the current work is to evaluate two solutions to resolve the violation of conservation of intensity that resulted from both the test unit and the thermal chamber deforming during the test. The first solution recovered conservation of intensity by pre-processing the path-integrated X-ray images to isolate the DIC pattern of the test unit from the thermal chamber components. These images were then correlated with standard, optical DIC software. The second solution, called Path-Integrated Digital Image Correlation (PI-DIC), modified the fundamental matching criterion of DIC to account for multiple, independently-moving components contributing to the final image intensity. The PI-DIC algorithm was extended from a 2D framework to a stereo framework and implemented in a custom DIC software. Both solutions accurately measured the cylindrical shape of the undeformed test unit, recovering radii values of R = 76.20±0.12 mm compared to the theoretical radius of R theor = 76.20 mm. During the test, the test unit bulged asymmetrically as decomposition gasses pressurized the interior and eventually burned in a localized jet. Both solutions measured the heterogeneous radius of this bulge, which reached a maximum of approximately R = 91 mm, with a discrepancy of 2–3% between the two solutions. Two solutions that resolve the violation of conservation of intensity for path-integrated X-ray images were developed. Both were successfully employed in a stereo X-ray DIC configuration to measure deformation of an aluminum-skinned, fiber-epoxy composite test unit in a fire accident scenario.

47 OTHER INSTRUMENTATION↗

Extreme Temperature Cryptography Based On Nitrogen-Incorporated Ultrananocrystalline Diamond

Physical entropy sources that remain stable under extreme temperatures are essential for cryptography in emerging technological frontiers in deep space exploration, geothermal energy harvesting, and nuclear energy. However, conventional semiconductor platforms fail to generate stable and reliable cryptographic keys above 200 degrees C due to performance degradation. Here, we report a diamond-based cryptographic primitive that exploits the defect-rich sp 2 -bonded grain boundary network in nitrogen-incorporated ultrananocrystalline diamond (n-UNCD) film as a robust entropy source to generate cryptographic keys that remain operationally stable even after enduring extreme temperatures of 700 degrees C for 54 h while also surviving thermal cycling between room temperature and 700 degrees C for 48 h. The strength of the generated keys is assessed through several cryptographic metrics such as bit uniformity, entropy, hamming distances, and correlation coefficients, all of which are found to be near their respective ideal values. Moreover, the generated keys pass the NIST SP 800 and SP 800-90B tests and are also resilient to supply bias variations and a regression-based machine learning attack model based on the Fourier series. The robustness of the keys is attributed to the better thermal stability and chemical inertness of the n-UNCD film. This is supported by high-resolution energy-dispersive X-ray spectroscopy (EDS), which shows no significant lateral diffusion of metal atoms into the n-UNCD layer, and by Raman spectroscopy, which reveals no significant changes in the bonding configuration of the n-UNCD structure. Our findings highlight the remarkable potential of n-UNCD film for extreme environment cryptography by expanding the operational limits of conventional hardware security platforms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accelerated radiation tolerance testing of Ti-based MAX phases

MAX phases have recently attracted significant attention for potential nuclear applications due to their novel properties such as unique hexagonal-compact nanolayered crystal structure, high-machinability due to lower hardness levels compared to conventional ceramics, and high-chemical inertness. In order for MAX phases to be used in nuclear reactors, two aspects deserve detailed investigations: (i) their phase stability at high-temperatures and (ii) microstructural defect formation and recovery induced by energetic particle irradiation. To date, degradation mechanisms of MAX phases at high-temperatures and following irradiation are largely unexplored fields of research. This work focuses on the evaluation of two Ti-based MAX phases – Ti 2 AlC and Ti 3 SiC 2 – within the context of extreme environments. To accomplish this, a one-of-a-kind comparison between neutron irradiations, performed over a decade of research at the High Flux Isotope Reactor (HFIR), and heavy-ion irradiations, carried out in situ in a Transmission Electron Microscope (TEM) at the MIAMI-2 facility, has been conducted. The results show Ti-based MAX phases are prone to accelerated decomposition under the conditions investigated. This questions the hypothesis that MAX phases exhibit high phase stability, especially when used in future nuclear energy systems where energetic particle irradiation is a dominating degradation mechanism.

36 MATERIALS SCIENCE↗

Development of Multimaterial Graded Structure from Superalloys to Refractory Alloys

This research focused on developing hybrid microstructures for extreme environments where zone-specific performance is essential. Traditional structural applications rely on single alloy compositions, often requiring compromises in cost, corrosion resistance, or high-temperature stability, while dissimilar welding leads to abrupt material transitions and potential mechanical weaknesses. By employing a combinatorial approach, this study enabled a gradual transition of chemistries across components, allowing site-specific tailoring of microstructures. Leveraging additive manufacturing’s flexibility, this concept facilitated multi-material alloying and optimized fabrication strategies, unlocking new capabilities in high-performance applications while reducing manufacturing costs.

99 GENERAL AND MISCELLANEOUS↗

Operation of AlGaN Channel HEMTs at 850 °C With ON/OFF Ratio >10 4

Here, we report 850 ° C operation of ultrawide bandgap (UWBG) Al-rich Al 0.68 Ga 0.32 N channel high electron mobility transistors (HEMTs) at atmospheric pressure in nitrogen ambient. Temperature dependent DC electrical characteristics were measured in situ up to 850 ° C, after exposure to 850 ° C for 60 minutes, and at 25 ° C after high temperature testing. At 850 ° C (time, t = 0 min), all HEMTs tested maintained an on/off ratio greater than 10 4 (maximum of 4.6 × 10 4 ). The threshold voltage demonstrated excellent stability with less than ±10% deviation. After returning to 25 ° C, the devices showed negligible degradation. In fact, the off-state gate current decreased and on/off ratio slightly increased. The robustness of these UWBG AlGaN transistors at temperatures up to 850 ° C demonstrates their viability for extreme environment applications.

AlGaN↗

ROADRUNNER MiniFuel Experiment: Readiness for Insertion

The Research On ADvancing the peRformance of UraNium Nitrides in Extreme enviRonments (ROADRUNNER) campaign is a collaborative irradiation experiment designed to evaluate the performance of uranium nitride (UN) fuel fabricated with controlled variations in density and impurity content. Oak Ridge National Laboratory’s MiniFuel irradiation platform and the High Flux Isotope Reactor (HFIR) are being used to irradiate six targets containing 36 UN miniature disks. These targets have been assembled to systematically investigate burnup and temperature effects under accelerated irradiation conditions. This report documents the finalized test plan, describes the experiment assembly and subcapsule integration process, and confirms the readiness of all ROADRUNNER targets for HFIR insertion. All targets have passed quality control procedures, and five have begun irradiation. The campaign will provide critical performance data to support fuel model validation and future UN qualification efforts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Applying deep learning methods to develop new models of molecular charge transfer, nonadiabatic dynamics, and nonlinear spectroscopy in the condensed phase

Photon- and field-induced charge transfer has central importance in the generation and storage of electricity, the novel properties of materials, photo-induced catalysis, and electro-optic activity (e.g., photovoltaic cells, fuel cells, and organic chromophores for use in optical fibers and light-emission diodes). These non-equilibrium electronic and chemical transformations are probed by ultrafast, nonlinear spectroscopies. Accurate simulations play a crucial role in our ability to understand, optimize, and control these transformations. This project applies modern deep learning and machine learning (ML) methods to dramatically improve models of electronic dynamics, electronic-nuclear dynamics, and spectroscopic measurements for improved simulations of chemistry in complex environments, far from equilibrium phenomena, and processes in extreme environments, such as materials exposed to strong or resonant fields. This project develops accurate neural net models that go beyond predictive capability to also provide new insight into the fundamental physics underlying electron and nuclear dynamics. To achieve its objectives, this project explores and develops customized versions of high-capacity deep learning algorithms/models. These techniques are developed with an emphasis on fundamental chemical insight, not just predictive accuracy, to assist the development of the next generation of quantum simulation methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

EvoNet: A phylogenomic and systems biology approach to identify genes underlying plant survival in marginal, low‐N soils

The DOE‐BER “EvoNet” project investigates the genetic and molecular basis of plant resilience in extreme environments. We do this by identifying key genes that enable “extreme survivor” species to thrive in the nitrogen-poor soils of Chile’s hyper-arid Atacama Desert. Our collections focus on 32 Atacama extremophile species, including seven grass species with potential biofuel applications. To identify genes-of-importance to survival we compared genomic and transcriptomic profiles of extremophile species that thrive in the Atacama to those of closely related “sister” species from nitrogen-rich arid and mesic regions of California. Deep RNA sequencing and de novo transcriptome assembly across these triplet species sets supported a phylogenomic framework for identifying positively selected genes associated with adaptive divergence. Our integrative analysis combined ecological and environmental data, metagenomics, evolutionary and systems biology, and metabolomics. This enabled us to create an unprecedented framework for systematically understanding how non-model plants have adapted to survive in extreme conditions. Our resulting database of positively selected ortholog groups in the extremophile plants offers promising targets for engineering crop and biofuel species with enhanced resilience to drought and extreme weather. Additionally, our newest dataset explores and exploits a complementary metabolomic approach. This new aspect provides innovative strategies to manipulate plant cell metabolism, further supporting efforts to improve agricultural productivity in the face of extreme climates. Importantly, our combined evolutionary- and metabolomic-based strategies focused on convergent patterns of adaptation, providing a genetic and metabolomic toolkit for improving crop and biofuel resilience across diverse plant species. Finally, our novel exploration of ecological and evolutionary dynamics delivered to the community a phylogenomic computational pipeline called “PhyloGeneious.” Our continued adaptations of this pipeline are publicly available to expedite evolutionary genomic research for future scientific discoveries. In total, our DOE-BER has provided genomic, metabolomic, and computational strategies to understand how extremophile plants provide evolutionary and physiological targets for improving agricultural and biofuel production.

59 BASIC BIOLOGICAL SCIENCES↗

Thin film combinatorial sputtering of TaTiHfZr refractory compositionally complex alloys for rapid materials discovery

Many applications from advanced nuclear reactors to aerospace and automotive industries require materials to operate in extreme environments. In search of new materials that can operate in these extremes, the present work explores this space whereby: (1) guided by atomistic and thermodynamic calculations we utilize thin film combinatorial synthesis to rapidly explore mechanical and thermal properties in a broad range of refractory compositionally complex alloys, and (2) observe transformation induced plasticity via oscillations in the thin film nanoindentation load depth curves that are attributed to, (3) a stress-induced HCP-to-BCC phase transformation in the resulting nanogranular microstructure, which to our knowledge has not been observed before in this alloy system; and finally (4) scale to bulk materials to compare the thin film results.

36 MATERIALS SCIENCE↗

Strength of tantalum to 276 GPa determined by two x-ray diffraction techniques using diamond anvil cells

Tantalum (Ta) is a metal that has useful properties that make it useful in extreme environments. It is therefore important to understand how Ta performs in such extreme conditions by accurately measuring its properties. In this work, the yield strength of tantalum has been measured at pressures up to 276 GPa using axial and radial x-ray diffraction (XRD) methods in diamond anvil cells (DAC). We measured strength using XRD in a radial DAC to 50 GPa, in an axial DAC to 60 GPa using diamonds with standard flat culets, and in a final experiment to 276 GPa using toroidal diamond anvils. The radial XRD data were refined using the Material Analysis Using Diffraction (MAUD) Rietveld software package to extract lattice strain and the yield strength. The axial data were refined using the General Structure Analysis System (GSAS) II and a linewidth method was used to calculate the yield strength. The yield strength measured near ambient pressure was found to be 0.5 GPa and increased with pressure up to 50 GPa, where the yield strength plateaued at a value of 2.4 GPa. At pressures above 60 GPa, the strength increased again to a maximum value of 9 GPa at the highest pressure of 276 GPa. Here, the data from the three experiments show good agreement between the methods and previously reported experimental data. This agreement illustrates the value of axial diffraction data for material strength determination and allows for measurements at multihundreds of GPa using toroidal DACs.

36 MATERIALS SCIENCE↗

Black textile with bottom metallized surface having enhanced radiative cooling under solar irradiation

We discuss the cooling performance of garments can play an important role of enabling comfortable human activities under extreme environments. Imparting extra cooling performance to a garment in a passive way is extremely challenging under the sunlight which provides a huge energy influx to the garment, especially made of black colored textile. In this study, a solar-adaptive-textile (SAT) has been designed and experimentally demonstrated. Near-infrared (NIR) transmittance to the human skin from the solar irradiance has been intercepted by incorporating a nanoscale sputtered thin aluminum metal film underneath the textile layer facing the skin. The high-pressure sputtering employed allows a deep penetration of aluminum into the fabric structure for enhanced solar-energy-blocking effect and film stability. The aluminum layer effectively reduces the solar irradiance as well as the thermal radiation from the textile, which gets heated in lieu of the human skin. The outdoor, under-the-sun measurements with a simulated skin showed an outstanding 2 °C cooling effect compared to the normal textile without the metal film, while preserving most of the given textile properties such as colors, air permeability and wicking behavior.

36 MATERIALS SCIENCE↗

One Collision—Two Substituents: Gas–Phase Preparation of Xylenes under Single–Collision Conditions

The fundamental reaction pathways to the simplest dialkylsubstituted aromatics—xylenes (C 6 H 4 (CH 3 ) 2 )—in high-temperature combustion flames and in low-temperature extraterrestrial environments are still unknown, but critical to understand the chemistry and molecular mass growth processes in these extreme environments. Exploiting crossed molecular beam experiments augmented by state-of-the-art electronic structure and statistical calculations, this study uncovers a previously elusive, facile gas-phase synthesis of xylenes through an isomer-selective reaction of 1-propynyl (methylethynyl, CH 3 CC) with 2-methyl-1,3-butadiene (isoprene, C 5 H 8 ). The reaction dynamics are driven by a barrierless addition of the radical to the diene moiety of 2-methyl-1,3-butadiene followed by extensive isomerization (hydrogen shifts, cyclization) prior to unimolecular decomposition accompanied by aromatization via atomic hydrogen loss. This overall exoergic reaction affords a preparation of xylenes not only in high-temperature environments such as in combustion flames and around circumstellar envelopes of carbon-rich Asymptotic Giant Branch (AGB) stars, but also in low-temperature cold molecular clouds (10 K) and in hydrocarbon-rich atmospheres of planets and their moons such as Triton and Titan. Furthermore, our study established a hitherto unknown gas-phase route to xylenes and potentially more complex, disubstituted benzenes via a single collision event highlighting the significance of an alkyl-substituted ethynyl-mediated preparation of aromatic molecules in our Universe.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

One Collision—Two Substituents: Gas–Phase Preparation of Xylenes under Single–Collision Conditions

The fundamental reaction pathways to the simplest dialkylsubstituted aromatics—xylenes (C 6 H 4 (CH 3 ) 2 )—in high-temperature combustion flames and in low-temperature extraterrestrial environments are still unknown, but critical to understand the chemistry and molecular mass growth processes in these extreme environments. Exploiting crossed molecular beam experiments augmented by state-of-the-art electronic structure and statistical calculations, this study uncovers a previously elusive, facile gas-phase synthesis of xylenes through an isomer-selective reaction of 1-propynyl (methylethynyl, CH 3 CC) with 2-methyl-1,3-butadiene (isoprene, C 5 H 8 ). The reaction dynamics are driven by a barrierless addition of the radical to the diene moiety of 2-methyl-1,3-butadiene followed by extensive isomerization (hydrogen shifts, cyclization) prior to unimolecular decomposition accompanied by aromatization via atomic hydrogen loss. This overall exoergic reaction affords a preparation of xylenes not only in high-temperature environments such as in combustion flames and around circumstellar envelopes of carbon-rich Asymptotic Giant Branch (AGB) stars, but also in low-temperature cold molecular clouds (10 K) and in hydrocarbon-rich atmospheres of planets and their moons such as Triton and Titan. Furthermore, our study established a hitherto unknown gas-phase route to xylenes and potentially more complex, disubstituted benzenes via a single collision event highlighting the significance of an alkyl-substituted ethynyl-mediated preparation of aromatic molecules in our Universe.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Lasers for the observation of multiple order nuclear reactions

Nuclear reaction rates become nonlinear with respect to flux (cm −2 s −1 ) in extreme environments such as those found during stellar nucleosynthesis and terrestrial nuclear detonations. To observe these effects directly in the laboratory, extremely high particle fluences (cm −2 ) are necessary but not sufficient. Reactor-based neutron sources, such as the Institut Laue-Langevin’s high-flux neutron reactor, were previously the closest to meeting this challenge, albeit over ∼hour time scales. In ultra-high flux environments, where multiple reactions occur on picosecond time scales, nuclei are unable to return to their ground states between reactions; consequently, reactions take place on excited nuclei. To accurately model high-flux environments, data on the cross-sections of excited nuclear states are required, which differ significantly from those of ground states due to spin/parity effects. In order to replicate these effects in the laboratory, short high-fluence pulses on the order of the lifetime of a typical nuclear excited state (generally ≲1 ns) are required. Particle beams generated by high-intensity lasers are uniquely positioned to meet this need with the potential to produce fluences of 10 17 protons/cm 2 and 10 22 neutrons/cm 2 over a few pico-seconds or less. In addition to providing a quantitative analysis of the rates of multiple rapid reactions in general, the present work examines a number of laser-based experiments that could be conducted in the near future to observe multiple rapid reactions for laboratory-based astrophysics and the measurement of exotic cross-sections.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Environmentally Assisted Cracking Research for Current and Advanced Nuclear Structural Materials

Understanding environmentally assisted cracking is an important aspect of nuclear materials research, as it provides information about failure mechanisms that lead to safety concerns or shutdowns. Idaho National Laboratory has ongoing research to understand how materials behave in the harsh nuclear environments for both the current fleet of light water reactors, as well as advanced reactors, where materials are exposed to more extreme environments. Corrosion and cracking of current materials, advanced materials, and materials formed through advanced manufacturing techniques are being examined, with particular interest in irradiation effects on corrosion and cracking, as well as the effects of environmental impurities. Testing, such as stress corrosion cracking, corrosion fatigue, and in-situ crack growth measurements, as well as a suite of characterization tools, including electron microscopy techniques and x-ray computed tomography, are being utilized to better understand the material response, limitations, and cracking mechanisms to ensure safe and reliable nuclear plants.

36 MATERIALS SCIENCE↗