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At least 163 records · Page 9

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DOE OSTI2021

Stable, Ductile and Strong Ultrafine HT-9 Steels via Large Strain Machining

Beyond the current commercial materials, refining the grain size is among the proposed strategies to manufacture resilient materials for industrial applications demanding high resistance to severe environments. Here, large strain machining (LSM) was used to manufacture nanostructured HT-9 steel with enhanced thermal stability, mechanical properties, and ductility. Nanocrystalline HT-9 steels with different aspect rations are achieved. In-situ transmission electron microscopy annealing experiments demonstrated that the nanocrystalline grains have excellent thermal stability up to 700 °C with no additional elemental segregation on the grain boundaries other than the initial carbides, attributing the thermal stability of the LSM materials to the low dislocation densities and strains in the final microstructure. Nano-indentation and micro-tensile testing performed on the LSM material pre- and post-annealing demonstrated the possibility of tuning the material’s strength and ductility. The results expound on the possibility of manufacturing controlled nanocrystalline materials via a scalable and cost-effective method, albeit with additional fundamental understanding of the resultant morphology dependence on the LSM conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Investigating Particle Size‐Dependent Redox Kinetics and Charge Distribution in Disordered Rocksalt Cathodes

Abstract Understanding how various redox activities evolve and distribute in disordered rocksalt oxides (DRX) can advance insights into manipulating materials properties for achieving stable, high‐energy batteries. Herein, the authors present how the reaction kinetics and spatial distribution of redox activities are governed by the particle size of DRX materials. The size‐dependent electrochemical performance is attributed to the distinct cationic and anionic reaction kinetics at different sizes, which can be tailored to achieve optimal capacity and stability. Overall, the local charged domains in DRX particles display random heterogeneity caused by the isotropic delithiation pathways. Owing to the kinetic limitation, the micron‐sized particles exhibit a holistic “core‐shell” charge distribution, whereas sub‐micron particles show more uniform redox reactions throughout the particles and ensembles. Sub‐micron DRX particles exhibit increasing anionic redox activities yet inferior cycling stability. In summary, engineering particle size can effectively modulate how cationic and anionic redox activities evolve and distribute in DRX materials.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Understanding radiation effects in friction stir welded MA956 using ion irradiation and a rate theory model

We report an outstanding challenge in the manufacturing and joining of oxide dispersion strengthened steels is retaining the nanofeatures in the alloy throughout the fabrication and welding process. MA956 was friction stir welded with two different sets of welding parameters, resulting in a medium and high heat input. After welding, 5 MeV Fe ++ ion irradiations were performed at doses ranging from 50 to 200 dpa in the temperature range of 400 to 500°C. Post-irradiation characterization was performed with scanning transmission electron microscopy and energy-dispersive x-ray spectroscopy to investigate the Y-Al-O dispersoids, voids, and dislocations. After welding, the dispersoid microstructure coarsened, resulting in fewer and larger dispersoids regardless of heat input. After irradiation, the dispersoid behavior in the welded material was sensitive to temperature, exhibiting growth behavior attributed to Ostwald coarsening at 500 °C but a mixture of nucleation and more muted growth at 400 and 450 °C, attributed to competing mechanisms of radiation-enhanced diffusion and Ostwald coarsening. Void swelling correlated to heat input; being more prevalent in the welded conditions occurring at lower doses and in higher values relative to the base material. The low values of swelling despite microstructure coarsening caused by welding demonstrate the excellent swelling resistance of MA956, even after welding with the highest swelling values of 0.5% noted in the stir zone high heat input condition at 450 °C, 200 dpa. The dislocation behavior was inconsistent: the strongest trend was that network density was higher for welded versus base material, and an increase in loop diameter with temperature was observed. A rate theory model based on the observed microstructure suggests at high temperature interstitial loss to sinks was more likely to be dominant compared to mutual annihilation via point defect recombination, because of an increase of the radiation diffusion coefficient with temperature regardless of initial welded microstructure.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Certifying the Performance of Fixative Technologies under Open Air Demolition Activities for D and D - 20096

Department of Energy (DOE) facilities undergoing deactivation and decommissioning (D and D) activities struggle with safety concerns of residual radioactive contamination leftover after gross decontamination efforts have concluded. The positive effects of implementing fixative technologies for decommissioning and maintenance is known across the DOE complex. However, there is no standardized metric in place that quantifies the performance of these technologies such as incombustible fixative platforms that immobilize the contamination in a solid polymer material under normal operating conditions or when exposed to stressors. The primary focus of this research is to provide the empirical data necessary to properly characterize the effects of implementing fixative technologies on mitigating the release of contamination. In addition, this effort has been used to identify and establish uniform testing protocols to quantify operational parameters of fixating platforms and properly credit such systems under a variety of operational conditions and stressors that can arise during open air demolition efforts (e.g. impact, water, thermal, etc.). The established protocols will be provided to the ASTM International E10.03 Subcommittee on Radiological Protection for Decontamination and Decommissioning of Nuclear Facilities and Components for the potential of formal standardization. Attributes to be addressed during testing are material compromise from impact stress, thermal stress for incombustible fixative materials, and immobilization factors (how well an immobilizing platform is capable of retaining fixated material during thermal and impact stressors). In developing these test methods, a greater understanding of the material's behavior under anticipated and unanticipated events, such as decommissioning activities and contingency events as outlined in the Basis of Interim Operations (BIO), can be successfully characterized. There are several key components of the experimental methodology that is essential in empirically certifying fixative technologies. A surrogate contaminant with a unique signature has been utilized with the implementation of a uniform contamination process of test coupons that is quantifiable and replicable for direct fixative comparisons. A modular test chamber has also been used to apply the various stressors of interest. Collection of released contamination that includes airborne and resettled contaminant particles and analyzed using mass spectrometry. This research directly supports DOE complex-wide concerns in terms of final disposition of nuclear facilities and the considerations made during their time between ceasing facility operation and final disposition. The results of this effort aims to provide a standardized road map and logical decision flow to better facilitate fixative technologies into D and D activities required to achieve the desired facility end state. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Dataset of solution-based inorganic materials synthesis procedures extracted from the scientific literature

The development of a materials synthesis route is usually based on heuristics and experience. A possible new approach would be to apply data-driven approaches to learn the patterns of synthesis from past experience and use them to predict the syntheses of novel materials. However, this route is impeded by the lack of a large-scale database of synthesis formulations. In this work, we applied advanced machine learning and natural language processing techniques to construct a dataset of 35,675 solution-based synthesis procedures extracted from the scientific literature. Each procedure contains essential synthesis information including the precursors and target materials, their quantities, and the synthesis actions and corresponding attributes. Every procedure is also augmented with the reaction formula. Through this work, we are making freely available the first large dataset of solution-based inorganic materials synthesis procedures.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Activating dislocation mediated plasticity in boron carbide through Al-doping

Dislocation slip, deformation twinning, phase transformations, and fast fracture are energy dissipation mechanisms that accommodate mechanical loading in materials. The energetically unfavorable formation of dislocation attributes to the ease of cracking and the low damage tolerance observed in superhard ceramics, notably boron carbide. Here, this work demonstrates that room temperature dislocation slip can be enabled in boron carbide by altering its chemistry through Al doping. The activation of dislocation slip is mechanistically explained by quantum mechanics simulations and electron microscopy, which indicate that strain energy is released through basal icosahedral slip facilitated by icosahedral rotation and chain bond breaking and reconfiguring. The new insight gained through this work suggests that atomic doping could be an effective strategy to tune deformation mechanisms in boron carbide, which provides a significant potential for limiting amorphization and catastrophic failure, and opens a new strategy to enhance damage tolerance in brittle ceramics.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Review of corrosion interactions between different materials relevant to disposal of high-level nuclear waste

Abstract This review covers the corrosion interactions between different materials that are relevant to the disposal of high-level nuclear waste, in particular the waste forms and containers. The materials of interest are borosilicate glass, crystalline ceramics, metal alloys, and any corrosion products that might form. The available data show that these interactions depend on the structure, chemistry, thermodynamic history, and proximity of the materials in contact, as well as the environmental attributes, such as temperature, solution chemistry, and radiation. Several key mechanisms that govern these interactions are highlighted. Scientific gaps and open questions are summarized and discussed.

Materials Science↗

DOE OSTI2023

On the Durability of Tin‐Containing Perovskite Solar Cells

Abstract Tin (Sn)‐containing perovskite solar cells (PSCs) have gained significant attention in the field of perovskite optoelectronics due to lower toxicity than their lead‐based counterparts and their potential for tandem applications. However, the lack of stability is a major concern that hampers their development. To achieve the long‐term stability of Sn‐containing PSCs, it is crucial to have a clear and comprehensive understanding of the degradation mechanisms of Sn‐containing perovskites and develop mitigation strategies. This review provides a compendious overview of degradation pathways observed in Sn‐containing perovskites, attributing to intrinsic factors related to the materials themselves and environmental factors such as light, heat, moisture, oxygen, and their combined effects. The impact of interface and electrode materials on the stability of Sn‐containing PSCs is also discussed. Additionally, various strategies to mitigate the instability issue of Sn‐containing PSCs are summarized. Lastly, the challenges and prospects for achieving durable Sn‐containing PSCs are presented.

14 SOLAR ENERGY↗

DOE OSTI2025

Monocrystalline CdSeTe/MgCdTe Double‐Heterostructure Solar Cells

This article reports monocrystalline CdSeTe/MgCdTe double‐heterostructure (DH) solar cells with varying Se compositions in the absorber layers that are grown on InSb substrates by using molecular beam epitaxy. The Se composition in the samples studied is determined to be 4%–11% through high‐resolution X‐ray diffraction (XRD) and photoluminescence measurements. Increased Se incorporation induces higher defect density attributed to increased lattice mismatch, and mixed‐phase formation due to the small difference in formation energies between the wurtzite and zinc blende phases of CdSe, which causes stacking faults and grain boundaries. Devices are fabricated by directly depositing an n‐type indium tin oxide (ITO) layer on the CdSeTe/MgCdTe DHs followed by Ag metal contacts. Reduced bandgap is observed in solar cells with increased Se composition. The devices with an absorber containing 4% Se exhibit an average open‐circuit voltage ( V OC ) of 0.925 V, a short‐circuit current density ( J SC ) of 23.4 mA/cm 2 , a fill factor ( FF ) of 0.650 and an efficiency of 14.1% without anti‐reflection coating. Absorbers with higher Se compositions result in poor device performance, mainly attributed to high defect density in the materials.

Ju, Zheng [Center for Photonics Innovation Arizona↗

DOE OSTI2024

Exploiting Saturation Regimes and Surface Effects to Tune Composite Design: Single Platelet Nanocomposites of Peptoid Nanosheets and CaCO 3

Mineral-polymer composites found in nature exhibit exceptional structural properties essential to their function, and transferring these attributes to the synthetic design of functional materials holds promise across various sectors. Biomimetic fabrication of nanocomposites introduces new pathways for advanced material design and explores biomineralization strategies. This study presents a novel approach for producing single platelet nanocomposites composed of CaCO 3 and biomimetic peptoid (N-substituted glycines) polymers, akin to the bricks found in the brick-and-mortar structure of nacre, the inner layer of certain mollusc shells. The significant aspect of the proposed strategy is the use of organic peptoid nanosheets as the scaffolds for brick formation, along with their controlled mineralization in solution. Here, we employ the B28 peptoid nanosheet as a scaffold, which readily forms free-floating zwitterionic bilayers in aqueous solution. The peptoid nanosheets were mineralized under consistent initial conditions (σ calcite = 1.2, pH 9.00), with variations in mixing conditions and supersaturation profiles over time aimed at controlling the final product. Nanosheets were mineralized in both feedback control experiments, where supersaturation was continuously replenished by titrant addition and in batch experiments without a feedback loop. Complete coverage of the nanosheet surface by amorphous calcium carbonate was achieved under specific conditions with feedback control mineralization, whereas vaterite was the primary CaCO 3 phase observed after batch experiments. Thermodynamic calculations suggest that time-dependent supersaturation profiles as well as the spatial distribution of supersaturation are effective controls for tuning the mineralization extent and product. We anticipate that the control strategies outlined in this work can serve as a foundation for the advanced and scalable fabrication of nanocomposites as building blocks for nacre-mimetic and functional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Stabilizing and Improving Qubit Coherence by Engineering the Noise Spectrum of Two-Level Systems

Superconducting circuits are a leading platform for quantum computing. However, their coherence times are still limited and exhibit temporal fluctuations. Those phenomena are often attributed to the coupling between qubits and material defects that can be well described as an ensemble of two-level systems (TLSs). Among them, charge fluctuators inside amorphous oxide layers contribute to both low-frequency 1 / f charge noise and high-frequency dielectric loss, causing fast qubit dephasing and relaxation. Moreover, spectral diffusion from mutual TLS interactions varies the noise amplitude over time, fluctuating the qubit lifetime. Here, we propose to mitigate those harmful effects by engineering the relevant TLS noise spectral densities. Specifically, our protocols smooth the high-frequency noise spectrum and suppress the low-frequency noise amplitude via depolarizing and dephasing the TLSs, respectively. As a result, we predict a drastic stabilization in qubit lifetime and an increase in qubit pure dephasing time. Our detailed analysis of feasible experimental implementations shows that the improvement is not compromised by spurious coupling from the applied noise to the qubit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Linear-frequency conversion with time-varying metasurfaces

Frequency conversion is a hallmark of nonlinearity. The spectral manifestations, emergent within a system, can typically be attributed to a marked nonlinearity within the material properties, complex geometric configurations, and/or the unique functional form of interactions taking place in the constitutive subsystems. These phenomena, irrespective of their origins, have been harnessed and exploited in applications ranging from the generation of entangled photons, a cornerstone in quantum technologies, to nanomechanical frequency mixing, advancing subsurface scanning probe microscopy. Here, we propose a frequency conversion mechanism based on time-varying metasurfaces, an emerging frontier in metamaterial research. We show how temporal properties of metasurfaces can effectively emulate a nonlinear medium, thereby facilitating frequency conversion. The proposed material configuration has the potential not only to advance integrated photonics and quantum optics, but also to create opportunities in quantum sensing, quantum materials, and crucially quantum communications. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Ultra-fast and Thick Boriding of Geothermal Casing to Enhance Reliability

Harnessing the heat that is continuously generated underneath the Earth’s crust (geothermal) is a clean and renewable source of energy. Geothermal energy can be used to heat and cool buildings, including greenhouses, and to generate electrical power. Compared to other renewable energy sources such as solar and wind, geothermal energy is more reliable because it is available all the time and versatile in its many forms of application and deployment. Nonetheless, the deployment and extensive use of geothermal energy still lags behind other renewable sources due to some technical, but mainly economic challenges. Upfront costs of geothermal power well development are relatively high. Some of this high cost is attributed to the use of expensive construction materials to ensure adequate performance during operation. For example, Inconel 625, super duplex 2507, and titanium alloy materials are used in downhole casings, piping, and other components exposed to brine solution to withstand harsh operating environments (high temperature and corrosive environments). Relatively low-cost carbon steel can be used in many of these components in geothermal power plants; however, they are susceptible to excessive corrosion, thereby limiting their useful lifespan. Ultra-fast boriding (UFB) surface treatment of carbon steel may drastically increase its corrosion resistance thereby providing a cost-effective material solution in geothermal applications. Scientists at Argonne National Laboratory (ANL) recently developed a technique to accelerate the boriding process using a high-temperature electrochemical process to produce relatively thick boride layers on various metal and alloy materials in minutes rather than the several hours it takes through the typical pack boriding process; hence, the process is designated UFB. The process uses molten borax salt at 900– 1000°C in an electrochemical cell in which the material to be borided is the cathode and a graphite plate is the anode. Continuous and durable boride layers with thicknesses of 100–300 µm have been produced on a variety of metals and alloys in one hour. Such a surface layer can indeed be a cost-effective pathway to prevent corrosion of casing materials in contact with the chemically aggressive and corrosive geothermal brine fluids.

15 GEOTHERMAL ENERGY↗

DOE OSTI2020

Application of On-Line Monitoring and Real-Time Characterization of Low Level Waste Samples from Hanford Tanks

Waste and treatment stream characterization is an essential part of safe, efficient, and cost-effective processing of Hanford materials. The demand for materials characterization, including chemical, radionuclide, and physical attributes during waste management, transfer, and staging operations in the Hanford tank farms, is expected to significantly increase as the U.S. Department of Energy Office of River Protection (ORP) progresses toward Hanford waste treatment and immobilization. The application of on-line monitoring can greatly improve operation timeframes and reduce costs by providing real-time data and supporting the reduction of necessary grab sample collection. Recently, our team applied Raman online monitoring and chemometric modeling to the supernate of Hanford tank 241-AP-105, and demonstrated the quantitative measurement of nine analytes within this waste. Application of this method has been expanded to additional Hanford tank wastes, AW-102 and AP-107. The performance of the process monitoring instruments and the accuracy of the chemometric models will be assessed. On-line monitoring results will be compared to anion results determined from the current standard, ion-chromatographic and inductively coupled plasma mass spectrometry methods. Comparisons of both determined values and uncertainties of results will be presented. Results will be shared with personnel working on flowsheet interfaces for the Direct-Feed Low Activity Waste mission at Hanford.

Lines, Amanda M.↗

DOE OSTI2021

Advancements of On-Line Monitoring and Real-Time Characterization of Actual Low-Level Hanford Tank-Waste Samples

Waste and process stream characterization is essential to the safe, efficient, and cost-effective processing of Hanford Site materials. The demand for materials characterization including chemical, radionuclide, and physical attributes during waste management, transfer, and staging operations in the Hanford tank farms is expected to significantly increase as the U.S. Department of Energy River Protection Project progresses toward Hanford waste treatment and immobilization. Our past work has applied Raman on-line monitoring and chemometric modeling to the supernate of Hanford tank 241-AP-105 and has demonstrated the quantitative measurement of nine analytes within this waste. To demonstrate broader applicability, this method has now been expanded to waste from two additional Hanford tanks, AW-102 and AP-107, and the offgas condensate from lab-scale melter runs of actual-tank waste feeds. To enhance the performance of the Raman method, instruments with various excitation wavelengths were compared, since it is known that the Raman response is enhanced by shorter wavelength excitation. The laser excitations for the three systems tested were 404 nm, 532 nm, and 671 nm. In addition to laser wavelength selection, the laser power, measurement integration times, and signal averaging techniques were also investigated to determine their effect on detection limits for oxy-anion analytes within tank wastes. These advancements in Raman capability are compared with past standards and will be presented.

Bryan, Samuel A.↗

DOE OSTI2020

Application of On-Line Monitoring and Real-Time Characterization of Low Level Waste Samples from Hanford Tanks - 20380

Waste and treatment stream characterization is an essential part of safe, efficient, and cost-effective processing of Hanford materials. The demand for materials characterization, including chemical, radionuclide, and physical attributes during waste management, transfer, and staging operations in the Hanford tank farms, is expected to significantly increase as the U.S. Department of Energy Office of River Protection (ORP) progresses toward Hanford waste treatment and immobilization. The application of on-line monitoring can greatly improve operation time frames and reduce costs by providing real-time data and supporting the reduction of necessary grab sample collection. Recently, our team applied Raman online monitoring and chemometric modeling to the supernate of Hanford tank 241-AP-105, and demonstrated the quantitative measurement of nine analytes within this waste. Application of this method has been expanded to additional Hanford tank wastes, AW-102 and AP-107. The performance of the process monitoring instruments and the accuracy of the chemometric models will be assessed. On-line monitoring results will be compared to anion results determined from the current standard, ion-chromatographic and inductively coupled plasma mass spectrometry methods. Comparisons of both determined values and uncertainties of results will be presented. Results will be shared with personnel working on flowsheet interfaces for the Direct-Feed Low Activity Waste mission at Hanford. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Mechanical properties, strain hardening, and fracture behavior of ultrasonic additively manufactured Zircaloy-4 after low-temperature neutron irradiation

Ultrasonic additive manufacturing (UAM) is a solid-state, layer-by-layer advanced manufacturing process that has the potential to create custom spatially controlled composites with embedded wires and sensors for nuclear component manufacture. For this work, to assess the feasibility of using UAM for nuclear-relevant materials research, the technique was used to produce a 3.5-mm-thick Zircaloy-4 plate for irradiation testing. The UAM Zircaloy-4 specimens were irradiated in the High Flux Isotope Reactor at a target irradiation temperature of 117 °C to 2.9 displacements per atom (dpa) to assess differences in irradiation-hardening behavior as a function of alloy processing path. The UAM and reference baseplate (BP) materials increased in yield strength by 372±27 MPa and 346±21 MPa, respectively, and both suffered significant reductions in uniform and total elongation attributed to irradiation hardening at low-temperature. Although the materials had similar nanoscale defect structures, including nanoscale black dot/loop features and strain-induced dislocation channels, the UAM material’s processing-related defects resulted in accelerated strain localization and failure as demonstrated by lower post-irradiation uniform elongation of UAM specimens (0.5 %) compared to BP (1.5 %) material. The UAM material also showed considerable anisotropy in mechanical response due to crack propagation along weld boundaries, resulting in differences in strength & ductility when tested parallel and perpendicular to the prior UAM build orientation. Therefore, although the fundamental irradiation response of UAM-processed Zircaloy-4 was phenomenologically comparable to that of BP reference material, additional optimization of the UAM processing is needed to produce irradiation-resistant and nuclear-relevant materials.

Digital image correlation↗

DOE OSTI2023

Unraveling kinking: A plasticity enhancing failure mode in high strength nano metallic laminates

Kinking is an important and plasticity-enhancing deformation/failure mode in numerous mechanically anisotropic materials including high-strength nano metallic laminates (NMLs). However, our current limited understanding of the mechanics of kinking and its dependence on microstructural attributes is insufficient for thoroughly comprehending and eventually being able to control failure behaviors of materials. In this study, we investigate kinking dependencies on microstructural attributes in NMLs via in situ micropillar compression, multiscale microstructure characterization, dislocation dynamic simulations, and crystal plasticity modeling. Additionally, by examining several NML systems (Cu/Fe, Ag/Fe, Al-4Mg/Fe), we demonstrate that the development of internal stresses during loading activates local layer-parallel glide triggering kinking in NMLs. Furthermore, this work reveals the effect of key microstructural features including layer thickness, layer waviness, interface barrier strength, and work hardening capacity on kink band formation in NMLs. More broadly, our efforts represent a generically applicable approach for probing large-strain deformation behavior of complex materials via synergetic modeling and experimental efforts.

36 MATERIALS SCIENCE↗