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DOE OSTI2024

Revisiting leptonic nonunitarity

In the presence of extra neutrino states at high scales, the low-energy effective 3 × 3 leptonic mixing matrix (LMM) is in general nonunitary. We revisit the question of what is our current knowledge of individual LMM matrix elements without assuming unitarity. We first demonstrate that a minimal set of experimental constraints suffices in bounding LMM nonunitarity parameters to the level of O ( 10 − 3 ) , without the use of neutrino oscillation data. We then revisit oscillation results as a complementary cross-check, using different physics and different experimental techniques to probe a similar parameter space. We correct some common misconceptions in the neutrino nonunitarity literature resulting from an incautious treatment of input parameters. We find that neutrino oscillation experiments can constrain LMM nonclosure, but, contrary to claims in the literature, are completely insensitive to the overall normalization of the LMM. Thus, we conclude that oscillation experiments, including the future DUNE experiment, have no power in excluding nonunitarity altogether. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

DOE OSTI2024

Search for Baryon-Number-Violating Processes in B − Decays to the Ξ ¯ c 0 Λ ¯ c − Final State

We report the results of the first search for B − decays to the Ξ ¯ c 0 Λ ¯ c − final state using 711 fb − 1 of data collected at the ϒ ( 4 S ) resonance with the Belle detector at the KEKB asymmetric-energy e + e − collider. The results are interpreted in terms of both direct baryon-number-violating B − decay and Ξ c 0 − Ξ ¯ c 0 oscillations which follow the standard model decay B − → Ξ c 0 Λ ¯ c − . We observe no evidence for baryon number violation and set the 95% confidence-level upper limits on the ratio of baryon-number-violating and standard model branching fractions B ( B − → Ξ ¯ c 0 Λ ¯ c − ) / B ( B − → Ξ c 0 Λ ¯ c − ) to be < 2.7 % and on the effective angular frequency of mixing ω in Ξ c 0 − Ξ ¯ c 0 oscillations to be < 0.76 ps − 1 (equivalent to τ mix > 1.3 ps ). Published by the American Physical Society 2024

Physics↗

DOE OSTI2023

Leaf cell wall properties and stomatal density influence oxygen isotope enrichment of leaf water

Measurements of oxygen isotope enrichment of leaf water above source water (Δ 18 O LW ) can improve our understanding of the interaction between leaf anatomy and physiology on leaf water transport. Models have been developed to predict Δ 18 O LW such as the string-of-lakes model, which describes the mixing of leaf water pools, and the Péclet effect model, which incorporates transpiration rate and the mixing length between unenriched xylem and enriched mesophyll water in the mesophyll (L m ) or veins (L v ). Here, in this work, we compare measurements and models of Δ 18 O LW on two cell wall composition mutants grown under two light intensities and relative humidities to evaluate cell wall properties on leaf water transport. In maize (Zea mays), the compromised ultrastructure of the suberin lamellae in the bundle sheath of the ALIPHATIC SUBERIN FERULOYL TRANSFERASE mutant (Zmasft) reduced barriers to apoplastic water movement, resulting in higher E and, potentially, L v and, consequently, lower Δ 18 O LW . The difference in Δ 18 O LW in cellulose synthase-like F6 (CslF6) mutants and wild-type of rice (Oryza sativa) grown under two light intensities co-varied with stomatal density. These results show that cell wall composition and stomatal density influence Δ 18 O LW and that stable isotopes can facilitate the development of a physiologically and anatomically explicit water transport model.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Analysis of ducted fuel injection at high-pressure transcritical conditions using large-eddy simulations

Ducted fuel injection (DFI) is a proposed fuel injection concept for achieving substantial reductions in emissions. In this concept, the fuel is injected through a coannular duct, resulting in increased fuel-air mixing and minimized formation of soot and other unwanted combustion products. Apart from comprehensive experimental investigations on DFI, so far computational studies have been limited to single-point Reynolds-averaged Navier Stokes simulations. Therefore, the objective of this work is to complement these studies by performing large-eddy simulations using a diffuse-interface method to examine the physical mechanisms and combustion processes of DFI, specifically focusing on the mixing process and the effect of fuel-ducting on combustion and pollutant emissions. To this end, finite-rate chemistry simulations are performed of the DFI configuration corresponding to the Engine Combustion Network Spray A injector at transcritical conditions (n-dodecane fuel, 60 bar pressure and 1000 K temperature chamber conditions). A two-equation soot model is employed for the qualitative analysis of soot emissions. Direct comparisons of averaged and instantaneous flow field results with the Spray A configuration are performed to assess the effect of DFI on the first- and second-stage ignition and soot formation. Compared to the free-spray condition, the results show that the DFI case exhibits a combination of (i) increased mass flow rate and entrained air, (ii) larger pressure drop magnitude and flow velocity, and (iii) a closer-to-stoichiometric mixture composition (both globally and locally), each of which is conjectured to contribute toward reduced soot production.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

How an Autonomous Offshore Power System Can Transform the Ocean Economy - A Hypothetical Case Study Utilizing an Autonomous Offshore Power System in Northern Lights Carbon Capture and Storage Project

An Autonomous Offshore Power System (AOPS) provides in-situ power, energy storage, real-time data and communications support, asset management, and other capabilities at sea. It has applications for all offshore industries: energy, defense and security, aquaculture, science and research, and communications. Furthermore, this paper highlights how an AOPS can reduce cost, complexity, and carbon-intensity for existing offshore operations and enable new capabilities for offshore industry leaders. This new AOPS technology has two primary advantages. First, it unlocks the autonomous, electric future of the ocean economy via ‘local’ power generation and energy storage, in addition to real-time connection to the data cloud. Second, it helps enable a material change in the global energy mix through cost-effective, reliable generation and storage technology for use cases including mobile/static data-gathering and reporting systems, operating equipment, and charging networks for uncrewed surface vessels. AOPS technology will help transform the ocean economy, and thus has implications for offshore industry leaders as they push to reduce costs today and make an autonomous and decarbonized future possible.

16 TIDAL AND WAVE POWER↗

DOE OSTI2023

The Effects of Shallow Cumulus Cloud Shape on Interactions Among Clouds and Mixing With Near-Cloud Environments

Cloud lifecycles are influenced by interactions among clouds and mixing with cloud-free environments. Cloud shapes dictate the length of cloud boundaries, which affects these interactions. This study uses a large eddy simulation to examine the relationships between the shallow cumulus cloud shapes, processes at their boundaries, and lifecycles. To characterize the shape of clouds, two metrics are newly defined: one reflects the overall horizontal cloud shape, and the other defines the cloud edge irregularity. Simulated clouds experience increased irregularity, but little changes in aspect ratio. Irregularity-driven cloud perimeter growth strongly indicates cloud splitting, with a more pronounced effect than aspect ratio-driven perimeter growth. Smaller cloud-shell gradients of properties across cloud boundaries are associated with more irregular clouds, suggesting enhanced mixing of clouds with the cloud-free environment. These findings indicate that the shallow cumulus evolution is partly driven by the irregularity of the cloud edge through lateral mixing and cloud splitting.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Explaining persistent incomplete mixing in multicomponent reactive transport with Eulerian stochastic model

We present an Eulerian stochastic advection–diffusion–reaction (SADR) model and use it to explain incomplete mixing typically observed in transport experiments with bimolecular reactions. Unlike traditional advection– dispersion–reaction (ADR) models, the SADR model describes mechanical and diffusive mixing as two separate processes. In the SADR model, mechanical mixing is driven by random advective velocity whose variance is given by the coefficient of mechanical dispersion. The diffusive mixing is modeled as a Fickian diffusion process with the effective diffusion coefficient. We demonstrate that the sum of the two coefficients is equal to the dispersion coefficient, but only the effective diffusion coefficient contributes to the mixing-controlled reactions. We use experimental results of Gramling et al. * * to show that for transport and bimolecular reactions in porous media, the SADR model is significantly more accurate than the ADR model, which overestimates the concentration of the reaction product by as much as 60%. We also show that the SADR model predicts an experimentally observed bell- shaped spatial distribution of the reactive product concentration, while the ADR model results in a concentration distribution with an unphysical kink.

Bimolecular reactions, incomplete mixing, Stochast↗

DOE OSTI2024

Resonant Emittance Mixing of Flat Beams in Plasma Accelerators

Linear colliders rely on high-quality flat beams to achieve the desired event rate while avoiding potentially deleterious beamstrahlung effects. Here, we show that flat beams in plasma accelerators can be subject to quality degradation due to emittance mixing. This effect occurs when the beam particles' betatron oscillations in a nonlinearly coupled wakefield become resonant in the horizontal and vertical planes. Emittance mixing can lead to a substantial decrease of the luminosity, the main quantity determining the event rate. In some cases, the use of laser drivers or flat particle beam drivers may decrease the fraction of resonant particles and, hence, mitigate emittance deterioration.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Effect of the Precursor Chemistry on the Crystallization of Triple Cation Mixed Halide Perovskites

Triple cation, mixed halide perovskite compositions have been reported to be more thermally stable, exhibit fewer phase impurities, and show higher power conversion efficiency and better reproducibility than single cation perovskites. In this work, we explain the formation of Cs0.05FA0.81MA0.14Pb(I0.85Br0.15)3 via a multimodal in situ study combining structural information from synchrotron grazing-incidence wide-angle X-ray scattering (GIWAXS) and optical properties from photoluminescence (PL) spectroscopy with density functional theory calculations (DFT). The focus here is on the effects of the solvent and antisolvent during crystallization. The predominantly used solvents N,N-dimethylformamide (DMF), dimethyl sulfoxide (DMSO), and the antisolvent chlorobenzene (CB) as well as the solvent-antisolvent-precursor interactions are investigated. Given the high elemental complexity and mutual interdependencies between solvent, antisolvent, and perovskite precursors, we found significant differences in the crystallization pathways. DMF-pure precursors show the formation of the DMF-containing intermediate phase and the nucleation of compositionally distinct perovskite phases, while when DMSO is added, only crystalline α- and δ-phases were found. In addition, the presence of DMSO helps the formation of α-perovskite. Coordination energy and bond order (BO) calculations support our experimental findings. Dripping of CB induces nucleation at room temperature, slows the α-phase formation rate, and appears to reduce the nucleation radius. These findings provide novel insights into solvent, antisolvent, and perovskite precursor interactions and their formation pathways. The complexity of interactions between solvents and reagents highlights the importance of understanding these effects to further improve the reproducibility and optimize processing conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

New avenues for |∆ B | = 2 processes beyond neutron-antineutron oscillations

We explore baryon-number-violating (|∆ B | = 2) processes beyond the well-known neutron-antineutron ($n - \bar{n}$) oscillations, focusing on the $Λ - \bar{Λ}$ system. The presence of a strange quark in the Λ baryon introduces a new set of six-quark operators roughly of the form (uds) 2 , which are different from the (udd) 2 operators responsible for oscillations. Using the Standard Model Effective Field Theory (SMEFT), we classify all dimension-9 operators that cause |∆ B | = 2 transitions and study their UV completions mediated by exotic scalar fields with trilinear interactions. We demonstrate that in these models, oscillations can occur at tree level, with $n - \bar{n}$ mixing potentially appearing at higher loop levels. We employ a chiral effective theory to constrain the effective mass mixing δm Λ , deriving bounds from current experimental limits on $n - \bar{n}$ oscillations and dinucleon decays such as pp → K + K + . These bounds indicate that $Λ - \bar{Λ}$ oscillations probe a complementary parameter space, sensitive to baryon-number violation at scales up to 10 2 − 10 3 TeV. We show that the existing indirect bounds make it challenging to provide a competitive bound on δm Λ at BESIII.

Baryon/Lepton Number Violation↗

DOE OSTI2025

Reaction-in-flight neutrons as a diagnostic for hydrodynamical mixing in double shell inertial confinement fusion capsules

We examine reaction-in-flight (RIF) neutrons as diagnostics for hydrodynamical mixing of high-Z shell material into the hotspot of double shell capsules that are designed for the National Ignition Facility. In particular, we consider the effects of different levels of mixing of tungsten shell material into the DT gas on RIF spectra. Using a set of 1D simulations from the radiation hydrodynamic code xRAGE to determine the temperature and density profiles of the mixed W-DT gas, we find that increasing the mass of mix systematically reduces the ratio of RIF neutrons to primary 14 MeV neutrons. The shape of the RIF spectrum also changes with mix, with the predicted spectrum softening in energy with increasing mix.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Combined Effect of the Wegener–Bergeron–Findeisen Mechanism and Large Eddies on Microphysics of Mixed-Phase Stratiform Clouds

Abstract The process of glaciation in mixed-phase stratiform clouds was investigated by a novel Lagrangian–Eulerian model (LEM) in which thousands of adjoining Lagrangian parcels moved within a turbulent-like velocity field with statistical parameters typical of the Arctic boundary layer. We used detailed bin microphysics to describe the condensation/evaporation processes in each parcel, in which droplets, aerosols, and ice particles were described using size distributions of 500 mass bins. The model also calculated aerosol mass inside droplets and ice particles. Gravitational sedimentation of droplets and ice particles was also accounted for. Assuming that droplet freezing is the primary source of ice particles, the Arctic clouds observed in Indirect and Semi-Direct Aerosol Campaign (ISDAC) were successfully simulated. The model showed that at a low ice particle concentration typical of ISDAC, large vortices (eddies) led to a quasi-stationary regime, in which mixed-phase St existed for a long time. The large eddies controlled the water partitioning in the mixed-phase clouds. Droplets formed and grew in updrafts, typically reaching the cloud top, and evaporated in downdrafts. Ice particles grew in updrafts and downdrafts. The Wegener–Bergeron–Findeisen (WBF) mechanism was efficient in downdrafts and some parts of updrafts, depending on ice concentration and vertical velocity. At low ice concentrations, the effect of ice on the phase partitioning was negligible. In this regime, liquid droplets were found near the cloud top, whereas ice particles precipitated through the cloud base. When ice concentration exceeded about 10 L −1 , the WBF mechanism led to glaciation of almost the entire cloud, with the exception of narrow cloud regions associated with strong updrafts. At ice particle concentrations of a few tens per liter, the oscillatory regime took place due to the ice–liquid interaction. The microphysical structure of mixed-phase St forms as a combined effect of cloud dynamics (large eddies) and the WBF mechanism.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Impact of Rainfall on Tropical Cyclone-Induced Sea Surface Cooling

Tropical cyclones (TCs) are often accompanied by strong winds and torrential rains. While the winds associated with TCs tend to enhance mixing in the upper-ocean, the freshwater input from rain can stratify the water column and limit mixing. However, the extent to which the stabilizing effect of rainfall can compete with wind-induced mixing, and to what degree it modulates TC-induced sea surface cooling, remains unknown. Here we show, using a suite of observations, that heavy rains under weak TCs can significantly reduce the magnitude of cold wakes induced by them. Additionally, when compared to storms with low rain rates, the ocean surface under TCs with high rain rates freshens significantly and cools less. High-resolution climate model simulations and idealized experiments with an ocean mixed layer model support these results and reveal that oceanic mixing processes are primarily responsible for the reduced cooling under TCs, with a lesser role for surface fluxes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Spectral proper orthogonal decomposition of active wake mixing dynamics in a stable atmospheric boundary layer

Recent advancements in the use of active wake mixing (AWM) to reduce wake effects on downstream turbines open new avenues for increasing power generation in wind farms. However, a better understanding of the fluid dynamics underlying AWM is still needed to make wake mixing a reliable strategy for wind farm flow control. In this work, a spectral proper orthogonal decomposition (SPOD) is used to analyze the dynamics of coherent flow structures that are induced in the wake through blade pitch actuation. The data are generated using the ExaWind software suite to perform large eddy simulations of an NREL 2.8 MW turbine operating in a stable atmospheric boundary layer. SPOD tracks the modal behavior of flow structures from their generation in the turbine induction field through their growth in the near-wake region and to their subsequent evolution and energy transfers in the far wake. SPOD is shown to be a useful tool in the context of AWM because it translates the wavenumber and frequency inputs to the turbine controller to structures in the wake. A decomposition of the radial shear stress flux in the wake is also developed using SPOD to measure the contribution of coherent flow structures to mean flow turbulent entrainment and wake recovery. The effectiveness of AWM is connected to its ability to excite inherent structures in the wake of the turbine that arise using baseline controls. The effects of AWM on blade loading are also analyzed by connecting the axial force along the blade to the SPOD analysis of the turbine induction field. Lastly, the performance of different AWM strategies is demonstrated in a two-turbine array.

17 WIND ENERGY↗

DOE OSTI2021

Machine learning assisted modeling of mixing timescale for LES/PDF of high-Karlovitz turbulent premixed combustion

Accurate modeling of mixing in the transported probability density function (PDF) method remains a great challenge, especially for turbulent premixed combustion under extreme conditions such as high Karlovitz number Ka. Recently, a power-law based mixing timescale model was developed for the large-eddy simulations (LES)/PDF modeling of high-Ka number turbulent premixed flames. It is found in this work that the power-law mixing timescale model is highly sensitive to the model parameters. It is thus critically needed to develop accurate calibration of these model parameters. The empirical specification of the model parameters developed in Zhang et. al. is found to be inadequate for accurate modeling of the mixing timescale. Here, machine learning is introduced as an attractive alternative in this work for the specification of the model parameters. A high-Ka number DNS jet flame is used as the training and validation of the machine learning models. The choices of the input parameters are discussed and compared for the machine learning models. The effect of differential molecular diffusion on mixing is examined by including the effect of the Lewis number in the training of the machine learning models. The performance of different machine learning algorithms is compared for the specification of the mixing model parameters. Overall, excellent performance of the machine learning models is observed for assisting the mixing modeling. The feasibility, interpretability, applicability, generality, and portability of using machine learning are discussed in general to provide a perspective on applying data-driven machine learning for turbulent combustion modeling studies.

42 ENGINEERING↗

DOE OSTI2020

Implementing Mixed Reality Tools to Support Mission Delivery at Hanford - 20520

Mission Support Alliance's (MSA) Public Works and Information Systems organizations have been working with Microsoft Corporation to develop and implement mixed reality operational solutions using their HoloLens technology. This collaborative effort is intended to drive innovative solutions and significantly improve MSA's efficiency in performing work at the Hanford Site. HoloLens, a mixed reality tool, is a commercial off-the-shelf technology that combines a head-mounted viewing screen with applications to help people and organizations learn, communicate, and collaborate more effectively through the use of mixed reality. https://microsoft.com/en-us/hololens MSA's initial pilot successfully demonstrated its ability to use mixed reality utilizing HoloLens' advanced features in a variety of ways, illustrating the potential efficiency gains previously stated as goals of this pilot. These achievements include the development of proprietary technology that allows synchronization between a HoloLens device and a mobile device or alternate global positioning system (GPS) device. This synchronization enables the HoloLens device to access real time GPS location data anywhere on the Hanford Site. This real time location data, combined with MSA's improved Hanford Geographical Information System (GIS) data, enables the mixed reality pilot application to identify underground utility systems as well as related utility attributes. This ability will aid utility workers in several areas, including excavation activities, the placement of large cranes, identifying interactions and conflicts with future underground utility placements and, eventually, recognizing and de-conflicting tank waste transfer system valve alignments. The HoloLens mixed reality application is also able to provide full or small scale holographic images of a facility's digital twin. This feature will allow MSA's Water and Sewer Utilities team to train and validate procedures associated with the new water treatment facility virtually, before it is constructed. This reduces the amount of time it takes to complete the training and procedure validation, and accelerates the overall construction schedule. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Correlating Electronic Structure and Device Physics with Mixing Region Morphology in High-Efficiency Organic Solar Cells

The donor/acceptor interaction in non-fullerene organic photovoltaics leads to the mixing domain that dictates the morphology and electronic structure of the blended thin film. Initiative effort is paid to understand how these domain properties affect the device performances on high-efficiency PM6:Y6 blends. Different fullerenes acceptors are used to manipulate the feature of mixing domain. It is seen that a tight packing in the mixing region is critical, which could effectively enhance the hole transfer and lead to the enlarged and narrow electron density of state (DOS). As a result, short-circuit current (J SC ) and fill factor (FF) are improved. The distribution of DOS and energy levels strongly influences open-circuit voltage (V OC ). The raised filling state of electron Fermi level is seen to be key in determining device V OC . Energy disorder is found to be a key factor to energy loss, which is highly correlated with the intermolecular distance in the mixing region. A 17.53% efficiency is obtained for optimized ternary devices, which is the highest value for similar systems. The current results indicate that a delicate optimization of the mixing domain property is an effective route to improve the V OC , J SC , and FF simultaneously, which provides new guidelines for morphology control toward high-performance organic solar cells.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Phased array-based nonlinear wave mixing technique: Application to lack-of-fusion porosity characterization in additively manufactured metals

The objective of this research is to demonstrate the effectiveness of a phased array-based nonlinear wave mixing technique to characterize internal, localized microscale damage in an additively manufactured (AM) component. By using phased arrays for the generation of the incident waves, it is possible to produce a nonlinear wave mixing scanning technique without the need for immersion or changing coupling conditions. The phased arrays can be configured to generate incident waves in multiple directions that meet the resonance conditions required for nonlinear wave mixing at a variety of internal locations. This allows for the scanning of a specimen without the removal and re-coupling of the source transducers, leading to greater scanning speed and repeatability. To demonstrate the accuracy of this phased array wave mixing approach, measurements of acoustic nonlinearity in an AM component are first made with a bulk wave second harmonic generation through thickness measurement. Next, nonlinear wave mixing measurements are made with single element transducers to confirm the sensitivity of the proposed nonlinear wave mixing approach to lack-of-fusion porosity in AM metals. Finally, phased arrays are used to highlight the effectiveness of the proposed nonlinear wave mixing technique in these same AM components.

Acoustics↗