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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Microcanonical Kinetics of Water-Mediated Proton Transfer in 4ABAH + ·(H 2 O) n = 4–6 Clusters (ABA = Aminobenzoic Acid): A Model System for Size-Dependent Relaxation to Ergodic Behavior

Here, we leverage the unique properties of the 4ABAH + · (H 2 O) n clusters (ABA = 4-aminobenzoic acid, n = 4−6) to quantitatively address how a finite, isolated system evolves into an ergodic condition starting from localized arrangements in configuration space. This system adopts two distinct structural isomers in which water molecules cluster around the cationic centers of its two protomers with widely separated positive charge centers. These isomers arise from excess proton attachment to either the acid (O) or amino (N) group on opposite sides of the benzene ring. Both forms are captured and kinetically trapped using cryogenic ion methods and then selectively vibrationally excited through their mutually exclusive IR bands involving NH and OH stretching fundamentals. Because the IR excitation lies below the water binding energy, the system can evolve to explore slow, rare events that lead to the interconversion between the two isomers. The rates of these intracluster reactions are determined by using a pump−probe scheme involving ∼5 ns IR pump and UV probe lasers. The rates occur on the microsecond time scale, leading to steady state populations of the isomers, thus revealing the cluster size-dependent fractionation between the two species at microcanonical equilibrium. The steady state distributions are correlated with the expected trend in the cluster size-dependent reaction energetics, which are in turn consistent with changes in the relative densities of states of the two species. These results thus provide an unusually clear example in which complex, protic-solvent-mediated chemical transformations are captured within a finite system at a precisely determined internal energy.

Rana, Abhijit [Yale Univ., New Haven, CT (United S↗
DOE OSTI2025

Double-null power-sharing dynamics in MAST-U

Maintaining an effective double-null (DN) configuration is expected to be challenging in reactor-scale tokamak devices. As divertor power-sharing is closely linked to the magnetic topology, even minor variations can lead to fast power-sharing fluctuations which exacerbate the already daunting exhaust challenge. While the static aspects of DN power-sharing have been extensively studied across various devices, this paper presents the first detailed investigation of its dynamic behaviour. We employ dedicated H-mode experiments in MAST-U, in Super-X divertor configuration, featuring perturbation frequencies up to 200 Hz. Our results clearly show no significant dynamic damping of the power-sharing within this frequency range: the divertor responds equally to both fast and slow perturbations. Moreover, the dynamic response also aligns with quasi-static results from slow ramps, implying that static power-sharing models remain valid even for fast fluctuations. Occasionally, some deviations from the otherwise mainly linear behaviour are observed, alongside notable scatter and asymmetries between upwards and downwards trajectories. These observations are likely linked to changes in core conditions, though the underlying mechanisms remain unclear and require further study.

divertor↗
DOE OSTI2022

Using Calibrated Water Data for Preliminary Validation of the SRT Code for Advanced Reactors

Recent interest and corresponding progress worldwide regarding advanced nuclear reactors has renewed focus on their performance and related safety assessments. Specifically, the U.S. Nuclear Regulatory Commission has emphasized the importance of mechanistic approaches to source term analysis for advanced reactor licensing applications, which attempt to realistically account radionuclide transport and retention phenomena. Further model development is required due to the numerous and complex physical and chemical phenomena associated with mechanistic source term analyses. Reflecting the need for modeling advancement, Argonne National Laboratory developed a mechanistic source term analysis tool for sodium fast reactors. The Simplified Radionuclide Transport (SRT) code describes fuel pin failure (for simulating the initial condition at the point of fuel pin breach), bubble scrubbing, deposition, leakage and following environmental impact. In the current work, a validation study of the SRT bubble scrubbing model is performed using a water-loop experiment performed at the University of Wisconsin-Madison. Through the analysis, the approach and fundamental bubble scrubbing models in SRT, which examine the removal of aerosols within the bubble as it is transported through a pool, have been widely evaluated. The results of the assessment demonstrate a high level of agreement in the regions of greater aerosol size. In the parameter range of minimal aerosol removal, the simulation slightly underpredicts the experiment results; however, considering the scale of plots and huge uncertainties inherently included, the deviation can be judged to be minor and would produce a conservative result. In addition, uncertainty analysis has been further refined to reflect the experimental distribution of parameters including aerosol sizes, which induces a span of performance for each representative aerosol size. Based upon the initial validation results along with uncertainty effects, SRT is expected to provide meaningful insights for the analysis of bubble scrubbing. Future sodium-loop tests will provide further validation basis.

Kam, Dong Hoon↗
DOE OSTI2023

Superconductivity at carrier density 10 17 cm – 3 in quasi-one-dimensional Li 0.9 Mo 6 O 17

Superconductivity is a fascinating phenomenon that involves an attractive interaction by which electrons are paired and can move without electrical resistance below a critical temperature T c . A paradigm for understanding superconductive pairing, the successful “BCS” theory, developed more than 65 years ago, is challenged by certain classes of materials for which parameters (e.g. the value of T c , the density of electrons, etc.) fall outside the range for which BCS theory is applicable. The study of such materials is important because new physics may be revealed and because superconductivity has many potential applications in sensing and electronics. Superconductivity at very low carrier density is a rare and fascinating phenomenon that is of considerable importance and interest in condensed matter physics. The conditions of high density of states and effective screening of Coulomb repulsion, both key ingredients of stable Cooper pairing in the BCS theory, may not be met at low carrier density. Thus, such systems may also harbor unconventional electron pairing (e.g. non-phononic) or pairing without phase coherence as a precursor to Bose-Einstein condensation. An intriguing route toward extreme low-density (and possibly unconventional) superconductivity may be found in quasi-one-dimensional metals for which density-wave instabilities compete for the ground state and can lead to gapping of substantial portions of the Fermi surface (FS), leaving a residual (reconstructed) FS comprising a very small carrier density. Our work highlights a novel material in this unusual category: Li 0.9 Mo 6 O 17 (T c =2 K) (also known as "lithium purple bronze" or "LiPB"). We present both electrical and thermoelectric magnetotransport measurements that reveal superconductivity to occur at carrier density 2 x10 17 cm -3 , among the lowest known for any superconductor, and four orders of magnitude lower than is expected from its chemical valence and band structure. With its exceptionally large ratio of superconducting to Fermi temperature, T c /TF ≳ 0.1, LiPB is properly placed at the top of a very small group of superconductors (including cuprates, heavy-fermion and Fe-based superconductors) for which this ratio falls in the BCS-BEC crossover regime and for which pairing is believed to be spin mediated.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The state of the art for neutron irradiation experiments from the perspective of the High Flux Isotope Reactor (HFIR)

Irradiation experiment campaigns are critical to advancing nuclear energy technologies by providing data on material performance under relevant radiation conditions. Successful irradiation experiments require integrated design efforts that balance technical goals with facility constraints. Here, this paper presents an expert-informed overview of irradiation experiment design at the High Flux Isotope Reactor. It addresses the nuclear materials research and irradiation experiment communities to guide them toward developing technically sound, facility-compatible campaigns. The High Flux Isotope Reactor is a multipurpose reactor supporting isotope production, neutron scattering, and materials testing. Its high, steady-state neutron flux is ideal for irradiation experiments, but successful execution demands coordinated thermal, structural, and reactor physics analyses. The paper outlines the complete development workflow from concept definition and design optimization to safety qualification and post-irradiation examination. Standardized capsule platforms are also discussed in terms of flexibility, specimen capacity, and thermal performance. Common failure modes such as unanticipated geometric variations, can impact temperature-dose profiles and compromise data reliability. Therefore, detailed thermal modeling and accurate as-built characterization are essential for meaningful post-irradiation data interpretation. Key recommendations include early engagement all stakeholders, clearly defined design expectations, and alignment of specimen geometries with post-irradiation examination capabilities. This approach reduces design iterations, enhances data quality, and supports more efficient use of irradiation resources. Strategic and well-planned irradiation testing not only improves individual campaign success but also accelerates the deployment of advanced nuclear technologies. By closing critical data gaps and reducing development risks, the nuclear materials community can more effectively contribute to the future of clean, resilient energy systems.

Experiments↗
DOE OSTI2022

Assessment of Core Physics Characteristics of Extended Enrichment and Higher Burnup LWR Fuels using the Polaris/PARCS Two-Step Approach. Vol. I: PWR Fuel

Nuclear fuel with extended enrichment (235U enrichment within 5-8 wt%) is one of the evolutionary changes that have been pursued in recent years by commercial light water reactor operators and fuel vendors to improve the fuel cycle economy and operation performance of a nuclear plant. This work assesses the performance of the Polaris/PARCS two-step approach in core physics modeling of the pressurized water reactor cores with extended enrichment fuel, referred to as “LEU+” in this report. A representative LEU+ core with a 24-month fuel cycle developed by Southern Nuclear Company (SNC) was modeled using this two-step approach. A representative LEU core with an 18-month fuel cycle was also modeled to provide a reference for the LEU+ core. As expected, significantly more burnable poison absorbers were used in the LEU+ core to accomodate its higher fuel enrichment. Nine different fuel assembly types were modeled using Polaris for each core to generate the assembly cross sections, which were then processed by GenPMAX to prepare the cross-section data for PARCS. The average specific powers of each fuel batch in each core were derived from VERA results and higher specific powers in fresh assemblies were found in the LEU core due to its less total uranium loading included in the VERA LEU model, given that the total core power was assumed to be the same for both cores. PARCS models were developed to simulate the steady-state operations of both cores. PARCS results on the LEU+ core were first compared with the VERA results for verification purpose; good agreements were seen in soluble boron and burnup distribution results, indicating that the Polaris/PARCS modeling and simulation were correctly implemented. Core physics parameters calculated by PARCS, at zero power physics tests, beginning of cycle (BOC), and end of cycle conditions (EOC), were compared between the LEU+ core and the LEU core, including soluble boron concentration, burnup distributions, assembly and pin power peaking factors, fuel temperature reactivity coefficients, moderator temperature and density reactivity coefficients, control rod worth, and shut down margin. The main differences in PARCS results between the LEU+ and the LEU cores are summarized below: 1)The critical boron concentrations were found to be much higher in the LEU+ core than in the LEU core (1582 vs. 1335 ppm for peak values). 2)Higher assembly radial power peaking factors (1.4 vs. 1.3 for peak values), 2D pin peaking factors (1.53 vs. 1.42 for peak values), and 3D pin peaking factors (1.89 vs. 1.81 for peak values) were found in the LEU+ core than in the LEU core. 3)Significantly higher reactivity coefficients of moderator temperature (and density) were found in LEU+ than in LEU.4)Significantly lower control rod worth at EOC were found in LEU+ than LEU for all but one control banks.5)Significantly lower shut down margins were found in the LEU+ core than in the LEU core. The Polaris/GenPMAX/PARCS code suite was found to be capable of modeling the LEU+ PWR core for steady-state operations and no unexpected results in core physics parameters were observed, in spite of that a) several bugs in PARCS were identified and workarounds were used; b) several features were found lacking in the current version of PARCS that would be useful for core modeling. A list of requests for bug fixes and feature upgrades for PARCS originated from this work were transmitted to the code developers. The assessments on the performance of the Polaris/PARCS two-step approach in core modeling for boiling water reactor with LEU+ fuel is ongoing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Airborne flux measurements of ammonia over the southern Great Plains using chemical ionization mass spectrometry

Abstract. Ammonia (NH3) is an abundant trace gas in the atmosphere and an important player in atmospheric chemistry, aerosol formation and the atmosphere–surface exchange of nitrogen. The accurate determination of NH3 emission rates remains a challenge, partly due to the propensity of NH3 to interact with instrument surfaces, leading to high detection limits and slow response times. In this paper, we present a new method for quantifying ambient NH3, using chemical ionization mass spectrometry (CIMS) with deuterated benzene cations as reagents. The setup aimed at limiting sample–surface interactions and achieved a 1σ precision of 10–20 pptv and an immediate 1/e response rate of < 0.4 s, which compares favorably to the existing state of the art. The sensitivity exhibited an inverse humidity dependence, in particular in relatively dry conditions. Background of up to 10 % of the total signal required consideration as well, as it responded on the order of a few minutes. To showcase the method's capabilities, we quantified NH3 mixing ratios from measurements obtained during deployment on a Gulfstream I aircraft during the HI-SCALE (Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecosystems) field campaign in rural Oklahoma during May 2016. Typical mixing ratios were 1–10 parts per billion by volume (ppbv) for the boundary layer and 0.1–1 ppbv in the lower free troposphere. Sharp plumes of up to tens of ppbv of NH3 were encountered as well. We identified two of their sources as a large fertilizer plant and a cattle farm, and our mixing ratio measurements yielded upper bounds of 350 ± 50 and 0.6 kg NH3 h−1 for their respective momentary source rates. The fast response of the CIMS also allowed us to derive vertical NH3 fluxes within the turbulent boundary layer via eddy covariance, for which we chiefly used the continuous wavelet transform technique. As expected for a region dominated by agriculture, we observed predominantly upward fluxes, implying net NH3 emissions from the surface. The corresponding analysis focused on the most suitable flight, which contained two straight-and-level legs at ∼ 300 m above ground. We derived NH3 fluxes between 1 and 11 mol km−2 h−1 for these legs, at an effective spatial resolution of 1–2 km. The analysis demonstrated how flux measurements benefit from suitably arranged flight tracks with sufficiently long straight-and-level legs, and it explores the detrimental effect of measurement discontinuities. Following flux footprint estimations, comparison to the NH3 area emissions inventory provided by the U.S. Environmental Protection Agency indicated overall agreement but also the absence of some sources, for instance the identified cattle farm. Our study concludes that high-precision CIMS measurements are a powerful tool for in situ measurements of ambient NH3 mixing ratios, and even allow for the airborne mapping of the air–surface exchange of NH3.

58 GEOSCIENCES↗
DOE OSTI2023

Exploring the impacts of unprecedented climate extremes on forest ecosystems: hypotheses to guide modeling and experimental studies

Abstract. Climatic extreme events are expected to occur more frequently in the future, increasing the likelihood of unprecedented climate extremes (UCEs) or record-breaking events. UCEs, such as extreme heatwaves and droughts, substantially affect ecosystem stability and carbon cycling by increasing plant mortality and delaying ecosystem recovery. Quantitative knowledge of such effects is limited due to the paucity of experiments focusing on extreme climatic events beyond the range of historical experience. Here, we present a road map of how dynamic vegetation demographic models (VDMs) can be used to investigate hypotheses surrounding ecosystem responses to one type of UCE: unprecedented droughts. As a result of nonlinear ecosystem responses to UCEs that are qualitatively different from responses to milder extremes, we consider both biomass loss and recovery rates over time by reporting a time-integrated carbon loss as a result of UCE, relative to the absence of drought. Additionally, we explore how unprecedented droughts in combination with increasing atmospheric CO2 and/or temperature may affect ecosystem stability and carbon cycling. We explored these questions using simulations of pre-drought and post-drought conditions at well-studied forest sites using well-tested models (ED2 and LPJ-GUESS). The severity and patterns of biomass losses differed substantially between models. For example, biomass loss could be sensitive to either drought duration or drought intensity depending on the model approach. This is due to the models having different, but also plausible, representations of processes and interactions, highlighting the complicated variability of UCE impacts that still need to be narrowed down in models. Elevated atmospheric CO2 concentrations (eCO2) alone did not completely buffer the ecosystems from carbon losses during UCEs in the majority of our simulations. Our findings highlight the consequences of differences in process formulations and uncertainties in models, most notably related to availability in plant carbohydrate storage and the diversity of plant hydraulic schemes, in projecting potential ecosystem responses to UCEs. We provide a summary of the current state and role of many model processes that give way to different underlying hypotheses of plant responses to UCEs, reflecting knowledge gaps which in future studies could be tested with targeted field experiments and an iterative modeling–experimental conceptual framework.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

The influence of wind veer and drivetrain flexibility on fatigue loading for large floating wind turbines

To reduce costs, offshore wind turbines are expected to be designed with significantly increased rotor diameters. Larger turbines become more flexible and span a larger portion of the atmospheric boundary layer. With these changes, the validity of traditional modeling assumptions should be investigated. This work challenges two common assumptions: (1) that the drivetrain can be considered rigid (except in torsion) and does not couple with the rotor and tower and 2) that wind directional change with height (veer) does not greatly influence the fatigue damage in the tower, blades and drivetrain. Two large semi-submersible floating wind turbines are considered: a 15 and a 22 MW reference turbine. Both use direct-drive generators. Aero-hydro-servo-elastic simulations are performed using OpenFAST, with drivetrain bending flexibility and main bearing response implemented in the coupled analysis. The turbines are subjected to a set of load cases at below-, near- and above-rated mean wind speeds, assembled based on the 3 km Norwegian reanalysis (NORA3) hourly wind and wave hindcast data for Utsira Nord, off the coast of Norway. In each load case, conditions with and without veer are simulated to evaluate the influence of veer on damage equivalent loads (DELs) of the turbine tower, blades and main bearings. Further, these load cases are applied to evaluate the influence of drivetrain flexibility on aero-elastic turbine response. The results indicate that, depending on the veer gradient, mean wind speed, operating regime and turbine size, veer can be very important for tower-top DELs and the fluctuations of main bearing radial loads, while main bearing and blade-root flapwise DELs are less affected. Considering these specific load cases and turbine models, drivetrain flexibility is found to significantly influence tower-top DELs of the largest turbine: the tower-top fore-aft and torsional damage equivalent moments of the 22 MW turbine are reduced by more than 20 % at near-rated wind speeds when the drivetrain is modeled as flexible.

17 WIND ENERGY↗
DOE OSTI2023

Genetic monitoring of steelhead in the Klickitat River to estimate productivity, straying, and migration timing

Abstract Objective Salmonids with a complex life history variation present challenges for conservation management, but genetic approaches alongside fisheries monitoring can address questions regarding the viability of the natural populations. Methods We genotyped adult (n = 3108) and juvenile (n = 2624) samples of steelhead Oncorhynchus mykiss that were collected in the Klickitat River, Washington, USA at traps in the lower drainage to examine tributary level productivity, straying from outside sources, and variation in adult migration timing. Result Genetic assignment of steelhead from this system indicated that the majority were produced within or near tributaries of the middle Klickitat River (juvenile mean = 72.8%; adult mean = 87.3%). Analyses with parentage-based tagging identified that most hatchery-origin adults were assigned to the Skamania Hatchery (80.8%), as expected, since this has been the release stock for decades within the Klickitat River drainage. Hatchery-origin adults were also identified from programs operating outside the Klickitat River, which were primarily strays from Snake River hatcheries. Most natural-origin steelhead were assigned to the Klickitat River, but there were also natural-origin fish identified as strays from other regions of the Columbia River (22.3% of natural returns). We also examined genes known to be associated with migration timing in adult steelhead observed at the trap and observed a strong relationship between migration date and alleles for early and late migration, but individual outliers were detected across seasons. Conclusion Our results indicate that genetic variation of steelhead in the Klickitat River has been influenced by hatchery programs as well as natural-origin straying from other subbasins, but genetic diversity remains high throughout the subbasin, and both early and late migration alleles are maintained. The genetic diversity present in Klickitat River steelhead may enable this Endangered Species Act listed (threatened) species to better adapt to stochastic environmental conditions compared to less diverse populations.

Collins, Erin E. (ORCID:0000000260978479)↗
DOE OSTI2022

Airborne flux measurements of ammonia over the Southern Great Plains using chemical ionization mass spectrometry

Ammonia (NH 3 ) is an abundant trace gas in the atmosphere and an important player in atmospheric chemistry, aerosol formation and the atmosphere-surface exchange of nitrogen. It is recognized as a major source of aerosol pollution, and it may limit the formation of cloud nuclei in remote or cold parts of the atmosphere. For soil and plants, NH 3 -mediated nitrogen can act as a harmful pollutant or as a desirable nutrient, mostly in natural and agricultural settings, respectively. Agriculture is also the main source of atmospheric NH 3 via volatilization from fertilizers and manure processing in livestock farming. The accurate determination of NH 3 emission rates remains a challenge, partly due to the propensity of NH 3 to interact with instrument surfaces leading to high detection limits and slow response times. In this paper, we present a new method for quantifying ambient NH 3 , using chemical ionization mass spectrometry (CIMS) with deuterated benzene cations as reagents. The setup aimed at limiting sample-surface interactions and achieved a 1-σ precision of 10–20 pptv and an immediate 1/e response rate < 0.4 s, which compares favorably to the existing state of the art. The sensitivity exhibited an inverse humidity dependence, in particular in relatively dry conditions. Background of up to 10 % of the total signal required consideration as well, as it responded on the order of a few minutes. To showcase the method’s capabilities, we quantified NH3 mixing ratios from measurements obtained during deployment on a Gulfstream I aircraft during the HI-SCALE (Holistic Interactions of Shallow Clouds, Aerosols and Land Ecosystems) field campaign in rural Oklahoma during May 2016. Typical mixing ratios were 1–10 parts per billion by volume (ppbv) for the boundary layer and 0.1–1 ppbv in the lower free troposphere. Sharp plumes of up to 10s of ppbv of NH3 were encountered as well. We identified two of their sources as a large fertilizer plant and a cattle farm, and our mixing ratio measurements yielded upper bounds of 350 ± 50 and 0.6 kg NH 3 h –1 for their respective momentary source rates. The fast response of the CIMS also allowed us to derive vertical NH 3 fluxes within the turbulent boundary layer via eddy covariance, for which we chiefly used the continuous wavelet transform technique. As expected for a region dominated by agriculture, we observed predominantly upward fluxes, implying net NH 3 emissions from surface. The corresponding analysis focused on the most suitable flight, which contained two straight-and-level legs at ~300 m above ground. We derived NH 3 fluxes between –4 and 18 mol km –2 h –1 for these legs, at an effective spatial resolution of 1–2 km. The analysis demonstrated how flux measurements benefit from suitably arranged flight tracks with sufficiently long straight-and-level legs, and explores the detrimental effect of measurement discontinuities. Following flux footprint estimations, comparison to the NH 3 area emissions inventory provided by the US Environmental Protection Agency indicated overall agreement, but also the absence of some sources, for instance the identified cattle farm. Our study concludes that high-precision CIMS measurements are a powerful tool for in-situ measurements of ambient NH 3 mixing ratios, and even allow for the airborne mapping of the air-surface exchange of NH 3 .

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Optimization under uncertainty of a hybrid waste tire and natural gas feedstock flexible polygeneration system using a decomposition algorithm

Market uncertainties motivate the development of flexible polygeneration systems that are able to adjust operating conditions to favor production of the most profitable product portfolio. However, this operational flexibility comes at the cost of higher capital expenditure. A scenario-based two-stage stochastic nonconvex Mixed-Integer Nonlinear Programming (MINLP) approach lends itself naturally to optimizing these trade-offs. This work studies the optimal design and operation under uncertainty of a hybrid feedstock flexible polygeneration system producing electricity, methanol, dimethyl ether, olefins or liquefied (synthetic) natural gas. A recently developed C++ based software framework (named GOSSIP) is used for modeling the optimization problem as well as its efficient solution using the Nonconvex Generalized Benders Decomposition (NGBD) algorithm. Two different cases are studied: The first uses estimates of the means and variances of the uncertain parameters from historical data, whereas the second assesses the impact of increased uncertain parameter volatility. The value of implementing flexible designs characterized by the value of the stochastic solution (VSS) is in the range of 260–405 M$ for a scale of approximately 893 MW of thermal input. Increased price volatility around the same mean results in higher expected net present value and VSS as operational flexibility allows for asymmetric exploitation of price peaks.

42 ENGINEERING↗
DOE OSTI2025

Pt Particles on a Dynamic TiO 2 Support in Near-Ambient Conditions−Disentangling Size, Pressure, and Support Effects

Platinum particles on reducible oxides are known to form complex and highly dynamic catalyst systems at elevated pressures and temperatures, often adopting active structures that differ from those found at room temperature and under ultrahigh vacuum (UHV). Here, we study the oxidation and structural evolution of subnanometer Pt clusters and nanoparticles supported on rutile TiO 2 (110) across an oxygen pressure range from UHV to 0.1 mbar, using near-ambient pressure X-ray photoelectron spectroscopy (NAP-XPS), scanning tunneling microscopy (STM) under UHV and NAP conditions, and low-energy ion scattering (LEIS). Our results reveal distinct differences in oxidation behavior and thermal stability between Pt nanoparticles and clusters, which are further modulated by the support stoichiometry and oxygen pressure. Small Pt clusters become oxidized even at room temperature but are susceptible to accelerated sintering in 0.1 mbar O 2 at elevated temperatures. In contrast, well-crystallized Pt nanoparticles on near-stoichiometric TiO 2 show weaker oxidation. On a reduced, defective TiO 2 support, Pt instead quickly becomes deeply buried by new titania layers, which are formed during support reoxidation. This process appears to result primarily from interactions of the support with the gas phase, unlike the classical, selflimited encapsulation that is induced by the strong metal−support interaction (SMSI). Finally, we address the full complexity of real catalysts in a direct side-by-side comparison of the single-crystalline model system with a Pt-loaded TiO 2 powder catalyst (P25). We conclude that the stoichiometry of the model supports must be carefully chosen and controlled to accurately reproduce the expected state of powder supports during redox reactions.

metal nanoparticles↗
DOE OSTI2019

Assessment of Pre-Irradiation SiC CMC Joint Performance in Representative Cladding Geometries

Silicon carbide fiber reinforced, silicon carbide matrix composites (SiC-SiC) offer strength at high temperatures, corrosion resistance, and stability during irradiation, and are being developed by General Atomics as cladding for accident tolerant fuel (ATF) applications and advanced reactor concepts. Advanced joining techniques capable of withstanding harsh reactor environments are key to enable GA’s SiGAtm SiC-SiC composite. The objective of this work is to obtain joint-specific material properties for assemblies in representative planar and cladding geometries that will allow for the generation of a material properties database and more accurate simulation of SiC joint behavior across arange of temperatures and irradiation conditions. To support this, three different joint formulations are being assessed for mechanical and thermal performance pre and post irradiation in the High Flux Isotope Reactor (HIFR) at ORNL. GA has previously identified its hybrid SiC (HSiC) joint as the most promising and best suited joining approach for cladding applications [1]. Additionally, oxide and transeutectic phase (TEP) joints are being investigated to make the material property database more comprehensive as these joints have previously shown strength resilience under irradiation in planar geometries [2]. The thermal and mechanical data obtained in this work will address vital knowledge gaps, enabling more accurate modeling of joints in SiC-based components for accelerated material qualification.The scope of work presented here focuses on the mechanical and thermal performance of the joint material prior to irradiation in HFIR. Endplug push-out (EPPO) testing to determine joint strength in tube geometries, and shear strength testing for planar geometries have provided a benchmark for pre-irradiation mechanical performance. These results show that all three selected joint methodologies result in cladding joints capable of withstanding the expected joint stresses in a LWR reactor environment [3]. This has been accompanied by He leak testing of the joint regions on tube specimens to assess the suitability of each joint methodology for cladding applications. Here, only the HSiC formulation consistently met critical leak rate requirements suggesting that other joining strategies require additional development. Finally, pre-irradiation thermal testing has been completed to establish a baseline for comparison after irradiation. Subsequent irradiation of these joints types in HFIR will provide further detail on joint material properties and their appropriateness for nuclear applications.

Gonderman, Sean↗
DOE OSTI2022

Reduced Temperature Cesium Removal from AP-101 Using Crystalline Silicotitanate

The Tank Side Cesium Removal (TSCR) system, currently operational under Washington River Protection Solutions LLC (WRPS), sends initial low-activity Hanford waste tank supernate feed to the Hanford Waste Treatment and Immobilization Plant (WTP) Low-Activity Waste (LAW) Facility. In addition to entrained solids removal from the supernate, the primary goal of TSCR is to remove cesium-137 ( 137 Cs) by ion exchange, allowing contact handling of the liquid effluent product at the WTP. Crystalline silicotitanate (CST) ion exchange media, manufactured by Honeywell UOP, LLC (product IONSIV™ R9140-B), was selected as the ion exchange media at TSCR. Laboratory-scale ion exchange processing using TSCR prototypic unit operations continues to contribute toward WRPS establishing accurate process flowsheets for the individual feed campaigns planned for TSCR. This report describes the small-scale ion exchange testing with 14.0 L of diluted and filtered supernate from tank 241-AP-101 (AP-101DF) at 16 °C (62 °F) to demonstrate processing at temperature conditions that are more prototypic of what the TSCR system could experience during colder seasons of the year. Since CST Cs capacity increases with decreasing contact temperature, testing at the lower operating temperature will help to predict the maximum 137 Cs loading onto the CST in the TSCR system. One of the waste acceptance criteria (WAC) for the WTP Low-Activity Waste Facility is that the waste must contain less than 3.18×10 -5 Ci 137 Cs per mole of Na. For the AP-101DF tank waste to meet this criterion, only 0.144% of the influent 137 Cs concentration may be delivered to the WTP; this requires a Cs decontamination factor of 694. Testing with AP-101DF matched TSCR prototypic operations where a lead-lag configuration was used until the lag column reached the WAC limit, then a polish column was brought online for continued processing in a lead-lag-polish column configuration. Feed was processed at 1.9 bed volumes (BVs) per hour; the flowrate, in terms of contact time with the CST bed, matched the expected flowrate at TSCR. The Cs-decontaminated product was retained for vitrification testing (to be reported separately). The lead column reached 62% Cs breakthrough after processing ~1400 BVs of feed; the 50% Cs breakthrough occurred at 1250 BVs. Testing compared to previous AP-107 testing at 16 °C showed ~80 BV increases in volume processed to reach the WAC limit for both lead and lag columns. A similar slope in breakthrough curves for both tests indicates similar kinetic behavior, with variations in feed matrices (Na and Cs concentrations) likely responsible for the deviations in reaching the WAC limit. The Cs effluent from the lag column reached the WAC limit after processing 875 BVs. Anticipating this breakthrough point, the polish column was preemptively installed at 770 BVs. Cs breakthrough from the lag column began at 300 BVs, reaching 5.32×10 0 µCi/mL, or 5.6 % Cs breakthrough, after processing all 1400 BVs of feed. Table S.1 and Figure S.1 summarize the observed column performance and relevant Cs loading characteristics.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Measurement of the background in the CMS muon detector in ${p}{p}$-collisions at $\sqrt{s} = 13$ TeV

The CMS detector, including its muon system, has been operating at the CERN LHC in increasingly challenging conditions for about 15 years. The muon detector was designed to provide excellent triggering and track reconstruction for muons produced in proton–proton collisons at an instantaneous luminosity ($\mathcal{L}$) of 1 x 10 34 cm –2 s –1 . During the Run 2 data-taking period (2015–2018), the LHC achieved an instantaneous luminosity of twice its design value, resulting in larger background rates and making the efficient detection of muons more difficult. While some backgrounds result from natural radioactivity, cosmic rays, and interactions of the circulating protons with residual gas in the beam pipe, the dominant source of background hits in the muon system arises from proton–proton interactions themselves. Charged hadrons leaving the calorimeters produce energy deposits in the muon chambers. In addition, high-energy particles interacting in the hadron calorimeter and forward shielding elements generate thermal neutrons, which leak out of the calorimeter and shielding structures, filling the CMS cavern. We describe the method used to measure the background rates in the various muon subsystems. These rates, in conjunction with simulations, can be used to estimate the expected backgrounds in the High-Luminosity LHC. This machine will run for at least 10 years starting in 2029 reaching an instantaneous luminosity of $\mathcal{L}$ = 5 x 10 34 cm –2 s –1 and increasing ultimately to $\mathcal{L}$ = 7.5 x 10 34 cm –2 s –1 . These background estimates have been a key ingredient for the planning and design of the muon detector upgrade.

Tytgat, M. (ORCID:0000000239902074)↗
DOE OSTI2024

Quantification of the Crack Evolution Process by Extracting Relevant Signal Components from Wave Propagation and Diffusive Transport Front Measurements

Wave propagation and diffusive transport phenomena in a geological rock sample undergoing crack evolution process are expected to interact with the mechanical discontinuities in the medium. The measurements of the signals associated with these phenomena can be used to assess and monitor the crack-driven micromechanical alterations in the rock. Different wave/diffusion phenomena, such as sonic propagation, pressure diffusion, and acoustic emission (AE), are sensitive to different elements of the mechanical discontinuities generated during the evolution of the crack clusters from initiation to coalescence. Sonic propagation, AE, and pressure diffusion monitoring have the potential to map the crack evolution because the transmitter-receiver arrays can be designed, arranged and tuned to (1) achieve maximum recovery of the scattered waveforms and travel times, (2) capture the later arrivals and multiple reflections, and (3) illuminate large rock volume. However, the structural/topological complexities of the mechanical discontinuities, complex distribution of the stress fields, complex mechanical alterations in media, and fluid redistribution in the crack system pose serious challenges for the detection and modeling of the crack evolution process (from here on, we will use the term ‘crack evolution process’ to mean that the crack evolution occurred under shallow crustal conditions). For purposes of accurately accounting such complexities and heterogeneities in the absence of reliable physical laws, simulation methods, and signal processing techniques, my early-career research proposal will develop and apply novel data-driven machine learning methods to: (1) extract signal components relevant to the various phases of crack evolution and (2) generate a 2D visual map of the crack evolution process.

58 GEOSCIENCES↗
DOE OSTI2025

PIAFS: A 2D nonlinear hydrodynamics code to model gaseous optics

The survivability of final optics is expected to be a major challenge for all future inertial fusion energy concepts. Due to their higher damage threshold, gaseous optics have been identified as a promising solution to this problem. Gaseous optics can be created through the photoabsorption of spatially modulated UV light, which induces various chemical processes that heat the gas. This heating leads to a pressure perturbation, which in turn launches a density perturbation that can imprint a refractive index modulation such as a grating. In this article, we introduce a parallel C/C++ code to simulate gaseous optics. PIAFS2D is a high-order conservative finite-difference code to solve the compressible Navier–Stokes equations along with the photochemical heating sources on Cartesian grids. The simulations are validated by the linear theory derived in a previous paper [Michel et al., Phys. Rev. Appl. 22, 024014 (2024)]. For larger perturbations, the behavior of the system—particularly the evolution of the generated acoustic wave—demonstrates strong nonlinearity. PIAFS2D allows the study of nonlinear behaviors and can be used for the design of high-efficiency gaseous optics elements in realistic experimental conditions.

Oudin, A. [Lawrence Livermore National Laboratory ↗