Results for “Transitional flow” — Page 44

DOE OSTI2021

Vibronic coupling in light-harvesting complex II revisited

A growing body of work has pointed to vibronic mixing as a crucial design principle for efficient energy and charge transfer in natural and artificial systems.= Notable among these studies was the recent observation of vibronically promoted ultrafast energy flow in the major antenna complex of green plants and algae light-harvesting complex II (LHCII)—the most abundant membrane protein on the Earth—via the emerging experimental technique two-dimensional electronic-vibrational (2DEV) spectroscopy. This spectroscopy, which correlates electronic and nuclear degrees-of-freedom, shows promise for providing mechanistic insight into vibronic coupling; however, explicit theoretical input is necessary to extract such a detail. In a separate paper, we have developed a heterodimer model that describes various forms of vibronic coupling—which were speculated to be present in LHCII—resulting from diagonal electron–phonon coupling giving Franck–Condon (FC) activity and the nuclear dependence of the electronic transition dipole moment giving Herzberg–Teller (HT) activity. Here, we draw connections between this theoretical work and recent experimental studies in order to demonstrate how HT activity is leveraged in the function of LHCII.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Demystifying group-4 polyolefin hydrogenolysis catalysis: Gaseous propane hydrogenolysis mechanism over the same catalysts

A kinetic/mechanistic investigation of gaseous propane hydrogenolysis over the single-site heterogeneous polyolefin depolymerization catalysts AlS/ZrNp 2 and AlS/HfNp 2 (AlS = sulfated alumina, Np = neopentyl), is use to probe intrinsic catalyst properties without the complexities introduced by time- and viscosity-dependent polymer medium effects. In a polymer-free automated plug-flow catalytic reactor, propane hydrogenolysis turnover frequencies approach 3,000 h −1 at 150 °C. Both catalysts exhibit approximately linear relationships between rate and [H 2 ] at substoichiometric [H 2 ] with rate law orders of 0.66 ± 0.09 and 0.48 ± 0.07 for Hf and Zr, respectively; at higher [H 2 ], the rates approach zero-order in [H 2 ]. Reaction orders in [C 3 H 8 ] and [catalyst] are essentially zero-order under all conditions, with the former implying rapid, irreversible alkane binding/activation. This rate law, activation parameter, and DFT energy span analysis support a scenario in which [H 2 ] is pivotal in one of two plausible and competing rate-determining transition states—bimolecular metal-alkyl bond hydrogenolysis vs. unimolecular β-alkyl elimination. The Zr and Hf catalyst activation parameters, ΔH ‡ = 16.8 ± 0.2 kcal mol −1 and 18.2 ± 0.6 kcal mol −1 , respectively, track the relative turnover frequencies, while ΔS ‡ = −19.1 ± 0.8 and −16.7 ± 1.4 cal mol −1 K −1 , respectively, imply highly organized transition states. These catalysts maintain activity up to 200 °C, while time-on-stream data indicate multiday activities with an extrapolated turnover number ~92,000 at 150 °C for the Zr catalyst. This methodology is attractive for depolymerization catalyst discovery and process optimization.

03 NATURAL GAS↗

DOE OSTI2022

Misanthropic entropy and renormalization as a communication channel

A central physical question is the extent to which infrared (IR) observations are sufficient to reconstruct a candidate ultraviolet (UV) completion. We recast this question as a problem of communication, with messages encoded in field configurations of the UV being transmitted to the IR degrees of freedom via a noisy channel specified by renormalization group (RG) flow, with noise generated by coarse graining/decimation. We present an explicit formulation of these considerations in terms of lattice field theory, where we show that the “misanthropic entropy” — the mutual information obtained from decimating neighbors — encodes the extent to which information is lost in marginalizing over/tracing out UV degrees of freedom. Our considerations apply both to statistical field theories as well as density matrix renormalization of quantum systems, where in the quantum case, the statistical field theory analysis amounts to a leading-order approximation. As a concrete example, we focus on the case of the 2D Ising model, where we show that the misanthropic entropy detects the onset of the phase transition at the Ising model critical point.

Physics↗

DOE OSTI2021

A simple model of a strong shock driven by a spherical or cylindrical piston

A simple model of piston-driven spherical and cylindrical shocks is suggested. The model is based on a consistent use of two factors: (a) an almost uniform pressure across the shocked layer and, (b) continuous geometrical stretching of the surface elements of the expanding piston. It turns out that for a uniform pre-shock medium the gas between the piston and the shock behaves essentially as an incompressible fluid. An algebraic equation for the shock vs piston position is obtained. Detailed evaluation of the accuracy of the proposed solution shows that its accuracy is a few percent for the adiabatic index γ = 5/3 (as in ideal plasma). A closed-form solution describing enhancement of a weak ambient magnetic field by the shock is presented. The proposed model of piston-driven shocks goes beyond the classical self-similar solutions in that it: (1) naturally covers an early, non-asymptotic dynamics and its transition to asymptotic regime; (2) allows for smooth radial density variation of an ambient gas of the form of bumps, dimples or ramps between two constant values; and (3) allows for smooth temporal variation of piston velocity of the form of bumps, dimples, or ramps. Furthermore, this simple and versatile model provides some new insights into a classical hydrodynamical problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Integrated System Planning: Emerging Software Requirements in the Power Industry

Power system planning software remains fragmented across organizational boundaries, with specialized tools for capacity expansion, production cost modeling, power flow, and dynamic analysis operating on incompatible data models and assumptions. This article argues that the fragmentation is not merely a technical problem but a predictable consequence of Conway's law: software architectures mirror the departmental structures within which they are developed. Regulatory milestones like Federal Energy Regulatory Commission (FERC) Order 888 formalized these divisions, but the roots trace back to the distinct engineering disciplines-mechanical, chemical, and electrical-that staffed generation and transmission planning departments in vertically integrated utilities. As the industry moves toward integrated system planning (ISP) that coordinates generation, transmission, and distribution investment decisions, the software ecosystem must evolve accordingly. We identify five categories of software requirements to enable this transition: coherent data inputs decoupled from individual applications, unified and extensible data schemas, modular component representations that support multiple abstraction levels, lifecycle management of planning datasets, and well-defined application programming interface (API) contracts that separate data exchange from algorithmic control. We examine how these requirements interact with three common workflow patterns-serial gate clearing, sequential multiapplication, and convergence oriented-and discuss the interface design principles each demands. We then outline a vision for platform-based planning architectures where specialized analytical services compose through standardized interfaces and where artificial intelligence (AI)/machine learning (ML) tools augment decision support within a disciplined software infrastructure. The practices proposed here offer a path from today's siloed tool collections toward collaborative planning ecosystems capable of handling the complexity of modern power system transformation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Experimental Characterization of High-Surface Area Thermal Energy Storage

There is growing interest in energy storage technologies due to the expansion of renewable energy sources that are inherently intermittent and the increasing frequency of extreme weather events that disturb the power grid. Power consumption in buildings makes up approximately 76% of all electricity usage on the grid and is primarily used for thermal applications such as space conditioning, hot water, and cooking. This makes thermal energy storage (TES) an ideal solution for many of these applications. Many TES technologies rely on latent energy storage, which utilizes the melting/solidification of phase change materials (PCM) to store energy. Typically, TES designs suffer from low power density due to their low inherent thermal conductivity. This limitation makes the deployment of TES in active applications difficult as the ease of access to energy is essential for effective use. Common routes for improving power density include high thermal conductivity additives or extended features such as fins that increase cost. This study presents an alternative approach to improving performance through increasing the overall surface area to volume ratio of the device, to increase the available area for convection to occur between the working fluid and PCM. In the study a commercial PCM was selected with a transition temperature ideal for space heating applications. The heat exchanger design utilizes a unique application of triply periodic minimal surfaces (TPMS) for macro-encapsulation of the PCM. The use of TPMS for heat exchangers has been growing in interest due to their high-surface area to volume ratios, which were previously unmanufacturable until the development of additive manufacturing. A modular system was designed and manufactured with a stereolithography resin printing system that is then backfilled with PCM. An experiment test set-up is designed to test the charge and discharge performance of the thermal storage using a conditioned air stream. The pressure drop of the design is tested across a variety of flow rates. When compared to existing experimental data within literature, there is excellent agreement based on the Reynolds number at similar hydraulic diameters. Several inlet temperatures are tested at consistent temperature differences from the phase change temperature for both charging and discharging. Additionally, the volumetric flow rate is varied for each temperature set point. It was found that increasing flow rate had diminishing returns in reducing the overall charge time of the TES. The temperature delta from the melting temperature was the primary contributor to the change in average heat flux with limited variation in average heat transfer rate between charging and discharging at similar inlet temperatures and flow rates. The TPMS heat exchanger design has a high air-side pressure drop but it provides high heat transfer rates. This helps maintain a high outlet temperature during discharge, which is important to thermal comfort applications. The design, manufacturing, and experimental characterization of the TES device will be presented as part of this study.

25 ENERGY STORAGE↗

DOE OSTI2023

CPC data from TAMU TRACER campaign in the Houston, TX region from July to September 2022

During TRACER, the Texas A&M Rapid Onsite Atmospheric Measurements Van (ROAM-V) was deployed to capture airmasses behind (maritime) and ahead (continental) of the passage of the sea-breeze front through Houston. On select sampling days, ROAM-V sampled in the morning/mid-day on the coast and then transited to a second inland site for the afternoon/evening. The suite of instruments deployed on ROAM-V included a Condensation Particle Counter (CPC; GRIMM Model 5.403 CPC), Scanning Mobility Particle Sizer (SMPS; TSI 3750 detector, TSI 3082 classifier, TSI 3088 neutralizer, TSI 3081A Differential Mobility Analyzer), Cloud Condensation Nuclei counter (Droplet Measurement Technologies CCN Counter), micro pulse lidar (Droplet Measurement Technologies Micro Pulse LiDAR (miniMPL)), and a Davis Rotating Uniform size-cut Monitor (DRUM; DRUMAir 4-DRUM). Before sampling at each location, the latitude and longitude were recorded using the GPS on the phone application “My Altitude”. Onboard the ROAM-V, aerosol samples are drawn through a shared isokinetic inlet at a flow rate ranging from 3.5 to 7.0 LPM. A portion of this flow is directed through a cyclone impactor (Brechtel, Inc. Model SCC 0.732) and 0.3 LPM is directed to the CPC. To correct the data for particle losses, we used a two-step method. First, the measured SMPS size distributions were used to calculate total particle loss through the inlet for every SMPS scan at a single deployment location. Second, the CPC data was corrected for particle losses using the average of the total losses per scan. This calculation was done separately for each deployment location due to changes in the measured size distributions between locations. Particle loss from diffusion (based on Kesten, 1991 and Gormley, 1949), inertial impaction in 90-degree bends (based on Aerosol Measurement, 2011 and Crane, 1977), and cyclone impactor efficiency (based on Dirgo, 1985) were included in the loss calculation. When the SMPS was not sampling at a location (in the case of an instrument malfunction or operator error), the reported CPC data was corrected with an average of the total losses for the entire campaign at the specified deployment location (e.g., if we needed to correct Galveston data, then the average of all calculated losses at Galveston was taken). These flatline corrections were used for all data on 22/07/13, 22/07/20, 22/07/22, and the data from Galveston on 22/08/09. An additional flatline correction of 14% was applied to all CPC data based on laboratory calibration prior to and after the campaign. In laboratory calibrations, we identified that for the same sample of air the field CPC (GRIMM Model 5.403 CPC) undercounted the total concentration of particles by 14% compared to the ground truth laboratory CPC (TSI Model 3750). This data was collected for ARM Field Campaign AFC07055 and supported by DOE ASR grant DE-SC0021047. For any further questions, please feel free to contact the instrument PI, Sarah D. Brooks, sbrooks@tamu.edu. Kesten et. al. Calibration of a TSI Model 3025 Ultrafine Condensation Particle Counter. Aerosol Science and Technology, 15:2, 107-111, 1991. Gormley et. al. Diffusion from a Stream Flowing through a Cylindrical Tube. Proceedings of the Royal Irish Academy, Vol 52, 163-169, 1948. Aerosol Measurement: Principles, Techniques, and Applications, Third Edition. John Wiley & Sons, Inc, 2011. Crane et. al. Inertial Deposition of Particles in a Bent Pipe. Journal of Aerosol Science, Vol 8, 161-170, 1977. Dirgo et. al. Cyclone Collection Efficiency: Comparison of Experimental Results with Theoretical Predictions. Aerosol Science and Technology, 4:4, 401-415, 1985.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

CCN data from TAMU TRACER campaign in the Houston TX region from July to September 2022

During TRACER, the Texas A&M Rapid Onsite Atmospheric Measurements Van (ROAM-V) was deployed to capture airmasses behind (maritime) and ahead (continental) of the passage of the sea-breeze front through Houston. On select sampling days, ROAM-V sampled in the morning/mid-day on the coast and then transited to a second inland site for the afternoon/evening. The suite of instruments deployed on ROAM-V included a Condensation Particle Counter (CPC; GRIMM Model 5.403 CPC), Scanning Mobility Particle Sizer (SMPS; TSI 3750 detector, TSI 3082 classifier, TSI 3088 neutralizer, TSI 3081A Differential Mobility Analyzer), Cloud Condensation Nuclei counter (Droplet Measurement Technologies CCN Counter), micro pulse lidar (Droplet Measurement Technologies Micro Pulse LiDAR (miniMPL)), and a Davis Rotating Uniform size-cut Monitor (DRUM; DRUMAir 4-DRUM). Before sampling at each location, the latitude and longitude were recorded using the GPS on the phone application “My Altitude”. Onboard the ROAM-V, aerosol samples are drawn through a shared isokinetic inlet at a flow rate ranging from 3.5 to 7.0 LPM. A portion of this flow is directed through a cyclone impactor (Brechtel, Inc. Model SCC 0.732) and 0.5 LPM is directed to the CCN. To calculate particle losses, we used a two-step method. First, the measured SMPS size distributions were used to calculate particle loss through the inlet during sampling. Second, the corrected SMPS data was used to calculate the average of the total losses per scan down the CCN line. Then, the correction was applied to the CCN data. This calculation was done separately for each deployment location due to changes in the measured size distributions between locations. Particle loss from diffusion (based on Kesten, 1991 and Gormley, 1949), inertial impaction in 90-degree bends (based on Aerosol Measurement, 2011 and Crane, 1977), and cyclone impactor efficiency (based on Dirgo, 1985) were included in the loss calculation. When the SMPS was not sampling at a location (in the case of an instrument malfunction or operator error), the reported CPC data was corrected with an average of the total losses for the entire campaign at the specified deployment location (e.g., if we needed to correct Galveston data, then the average of all calculated losses at Galveston was taken). These flatline corrections were used for all data on 22/07/13, 22/07/20, 22/07/22, and the data from Galveston on 22/08/09. The supersaturation uncertainty is estimated conservatively at +/- 0.03%, where variation in the inlet temperature, pressure, and calibration technique prevents a more accurate measurement. Confidence in the reported supersaturation measurements is based on a pre-campaign calibration (following the methods from our previous work and Deng, 2014 based on Rose, 2008) in addition to inter-comparisons with the DOE for two days (22/08/18 and 22/09/01) where TAMU was co-located with AMF1. The inter-comparisons show good agreement between our instrument and the DOEs instrument on both days at all supersaturations. After the last inter-comparison on 22/09/01, there was no indication of a malfunction by our instrument through the rest of the campaign. Unfortunately, the instrument was dropped during demobilization. A post-campaign calibration was conducted, which showed a substantial departure from the pre-campaign calibration. The drop may have damaged the instrument’s ability to produce the desired supersaturations. Therefore, we do consider the data after 22/09/01 to be correct, but it should be used with caution. The CCN counter sampled for 3 minutes at each supersaturation setpoint (0.2, 0.4, 0.6, 0.8, 1.0, and 1.2%). At the end of a cycle, the instrument was set to 0.01% supersaturation for 5 minutes. The data is comprised of the last 60 seconds of each supersaturation set point (0.2, 0.4, 0.6, 0.8, 1.0, and 1.2%) to ensure the instrument stabilized and was able to reach thermal equilibrium. We removed the data during the periods where there were operational difficulties, setup, or maintenance. This data was collected for ARM Field Campaign AFC07055 and supported by DOE ASR grant DE-SC0021047. For any further questions, please feel free to contact the instrument PI, Sarah D. Brooks, sbrooks@tamu.edu. Rose et. al. Calibration and Measurement Uncertainties of a Continuous-Flow Cloud Condensation Nuclei Counter (DMT-CCNC): CCN Activation of Ammonium Sulfate and Sodium Chloride Aerosol Particles in Theory and Experiment. Atmos. Chem. Phys., 8, 1153-1179, 2008. Deng et. al. Using Raman Microspectroscopy to Determine Chemical Composition and Mixing State of Airborne Marine Aerosols over the Pacific Ocean. Aerosol Science and Technology, Vol 48, Issue 2, 2014. Kesten et. al. Calibration of a TSI Model 3025 Ultrafine Condensation Particle Counter. Aerosol Science and Technology, 15:2, 107-111, 1991. Gormley et. al. Diffusion from a Stream Flowing through a Cylindrical Tube. Proceedings of the Royal Irish Academy, Vol 52, 163-169, 1948. Aerosol Measurement: Principles, Techniques, and Applications, Third Edition. John Wiley & Sons, Inc, 2011. Crane et. al. Inertial Deposition of Particles in a Bent Pipe. Journal of Aerosol Science, Vol 8, 161-170, 1977. Dirgo et. al. Cyclone Collection Efficiency: Comparison of Experimental Results with Theoretical Predictions. Aerosol Science and Technology, 4:4, 401-415, 1985.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

SMPS data from TAMU TRACER campaign in the Houston TX region from July to September 2022

During TRACER, the Texas A&M Rapid Onsite Atmospheric Measurements Van (ROAM-V) was deployed to capture airmasses behind (maritime) and ahead (continental) of the passage of the sea-breeze front through Houston. On select sampling days, ROAM-V sampled in the morning/mid-day on the coast and then transited to a second inland site for the afternoon/evening. The suite of instruments deployed on ROAM-V included a Condensation Particle Counter (CPC; GRIMM Model 5.403 CPC), Scanning Mobility Particle Sizer (SMPS; TSI 3750 detector, TSI 3082 classifier, TSI 3088 neutralizer, TSI 3081A Differential Mobility Analyzer), Cloud Condensation Nuclei counter (Droplet Measurement Technologies CCN Counter), micro pulse lidar (Droplet Measurement Technologies Micro Pulse LiDAR (miniMPL)), and a Davis Rotating Uniform size-cut Monitor (DRUM; DRUMAir 4-DRUM). Before sampling at each location, the latitude and longitude were recorded using the GPS on the phone application “My Altitude”. Onboard the ROAM-V, aerosol samples are drawn through a shared isokinetic inlet at a flow rate ranging from 3.5 to 7.0 LPM. A portion of this flow, 1.0 LPM, is directed through TSI's 0.071 cm impactor attached to the classifier of the SMPS setup. The SMPS’s DMA and CPC are connected through a 20.3 cm length of 0.48 cm diameter tubing. Measured SMPS size distributions were used to calculate size-dependent particle losses for each SMPS scan. Particle losses from diffusion (based on Kesten, 1991 and Gormley, 1949) and inertial impaction in 90-degree bends (based on Aerosol Measurement, 2011 and Crane, 1977) were included in the loss calculation. This data was collected for ARM Field Campaign AFC07055 and supported by DOE ASR grant DE-SC0021047. For any further questions, please feel free to contact the instrument PI, Sarah D. Brooks, sbrooks@tamu.edu. Kesten et. al. Calibration of a TSI Model 3025 Ultrafine Condensation Particle Counter. Aerosol Science and Technology, 15:2, 107-111, 1991. Gormley et. al. Diffusion from a Stream Flowing through a Cylindrical Tube. Proceedings of the Royal Irish Academy, Vol 52, 163-169, 1948. Aerosol Measurement: Principles, Techniques, and Applications, Third Edition. John Wiley & Sons, Inc, 2011. Crane et. al. Inertial Deposition of Particles in a Bent Pipe. Journal of Aerosol Science, Vol 8, 161-170, 1977.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Algebraic expressions for estimating the impact depths of a surface barrier over a homogeneous soil

Engineered surface barriers are used to isolate subsurface contaminants for effective long-term containment of municipal solid waste, other nonhazardous solid and liquid waste, hazardous and toxic wastes, and radioactive waste. The impact depths of a surface barrier are affected by the pre-barrier recharge rate and the properties of the soil beneath the barrier. In this paper, the pore-size-specific (PSS) water velocity is defined and an algebraic expression of PSS velocity is derived based on the stream tube concept and the Brooks and Corey hydraulic retention model. Algebraic expressions are developed to estimate drainage velocities and barrier impact depths after the emplacement of a surface barrier. Four impact depth terms are used to convey the protective effect: drainage front, average drainage, the location with 50% impact, and drainage tail. The drainage front depth is the deepest point at which the barrier has a detectable impact at a specific time (also called the near zero-impact depth). The average-impact depth is the depth at which average drainage occurs. At the 50% impact depth, the water flux rate is reduced by half because of the surface barrier. Lastly, the drainage tail depth (also called the full-impact depth) is the deepest depth at which the water conditions above it are in equilibrium with the barrier. The algebraic expressions show that the average-impact depth is no more than 1/3 of near zero-impact depth, while the 50% impact depth is slightly larger than 1/2 of the near zero-impact depth. The full-impact depth, depending on the final recharge rate from the surface barrier, is usually much smaller than the other impact depths. These differences lead to a very large transition zone beneath a surface barrier. Numerical simulations were conducted to replicate the same conditions. The numerical results corroborated the analytical models by predicting very similar water content profiles and near zero-, average-, 50%, and full-impact depths. The algebraic expressions provided in this paper are useful for quickly identifying sites where the depth of the existing contaminants could be beyond the protection of a surface barrier.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

An interface-aware sub-scale dynamics multi-material cell model for solids with void closure and opening at all speeds

Here, we present a multi-material cell model (closure model) for demanding arbitrary Lagrangian-Eulerian (ALE) simulations of fluids and solids. It is based on the interface-aware sub-scale dynamics (IASSD) approach which utilizes the exact material interface geometry within the computational cell to calculate internal material interactions. Our formulation of the closure model also aims to improve the accuracy in low-speed impact events. Voids are used to represent ambient vacuum and internal free boundaries of the distinct materials. Void regions can close and open at contact surfaces, allowing a transition from contact physics to free motion in vacuum. The coupling of void closure and opening with a new formulation of the IASSD model for solids is tested on several one- and two-dimensional numerical examples, ranging from gas expansion in vacuum to planar and round object impacts at various speeds.

42 ENGINEERING↗

DOE OSTI2025

Cascading from $\mathscr{N}$ = 2 supersymmetric Yang–Mills theory to confinement and chiral symmetry breaking in adjoint QCD

We argue that adjoint QCD in 3 + 1 dimensions, with any SU(N) gauge group and two Weyl fermion flavors (i.e. one adjoint Dirac fermion), confines and spontaneously breaks its chiral symmetries via the condensation of a fermion bilinear. We flow to this theory from pure $\mathscr{N}$ = 2 SUSY Yang–Mills theory with the same gauge group, by giving a SUSY-breaking mass M to the scalars in the $\mathscr{N}$ = 2 vector multiplet. This flow can be analyzed rigorously at small M, where it leads to a deconfined vacuum at the origin of the $\mathscr{N}$ = 2 Coulomb branch. The analysis can be extended to all M using an Abelian dual description that arises from the N multi-monopole points of the $\mathscr{N}$ = 2 theory. At each such point, there are N −1 hypermultiplet Higgs fields h$^{i=1,2}_m$, which are SU(2) R doublets. We provide a detailed study of the phase diagram as a function of M, by analyzing the semi-classical phases of the dual using a combination of analytic and numerical techniques. The result is a cascade of first-order phase transitions, along which the Higgs fields h i m successively turn on, and which interpolates between the Coulomb branch at small M, where all h$^{i}_m$ = 0, and a maximal Higgs branch, where all h$^{i}_m$ ≠ 0, at sufficiently large M. We show that this maximal Higgs branch precisely matches the confining and chiral symmetry breaking phase of two-flavor adjoint QCD, including its broken and unbroken symmetries, its massless spectrum, and the expected large-N scaling of various observables. The spontaneous breaking pattern SU(2) R → U(1) R , consistent with the Vafa–Witten theorem, is ensured by an intricate alignment mechanism for the h$^{i}_m$ in the dual, and leads to a CP 1 sigma model of increasing radius along the cascade.

D’Hoker, Eric [Univ. of California, Los Angeles, C↗

DOE OSTI2020

Additive Manufacturing Interface Profiles for Jet Studies on the Vertical Shock Tube

Understanding the mixing between two fluids of disparate densities (i.e., variable density mixing) is important for the lab's mission. Experiments are required to validate our codes, such as RAGE, FLAG, and the BHR mix model. The role initial conditions (ICs) have on instability growth and the transition to turbulence is not completely understood and comparisons with experiments are needed. The Extreme Fluids team focuses on experiments at Los Alamos that utilize gases and low shock velocities (Mach <2 in air). These experiments have the advantage of high fidelity diagnostics capable of temporally and spatially resolved velocity and density measurements. One main difficulty is setting up a specific interface profile between the two gases. While attempts have been made to do so without the aid of a solid structure (i.e., a membrane), the results are limited in the range of possible shapes and reproducibility. Membranes provide the best way to provide a deterministic initial condition. However, fragments from the membrane can interfere with the flow and instability growth, as well as the diagnostics. In this project, we focused on exploring the materials and techniques available via modern additive manufacturing (i.e., 3D printing) to test if they could address some of the shortcomings of prior membrane designs. Our goal was to find a material that would have minimal impact on our experiment while also providing us with a means to produce complex initial conditions. This report details our work to explore the range of additive manufacturing capabilities and the jet-like structures we were able to generate using three-dimensional initial conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Integration of physiologically relevant photosynthetic energy flows into whole genome models of light‐driven metabolism

SUMMARY Characterizing photosynthetic productivity is necessary to understand the ecological contributions and biotechnology potential of plants, algae, and cyanobacteria. Light capture efficiency and photophysiology have long been characterized by measurements of chlorophyll fluorescence dynamics. However, these investigations typically do not consider the metabolic network downstream of light harvesting. By contrast, genome‐scale metabolic models capture species‐specific metabolic capabilities but have yet to incorporate the rapid regulation of the light harvesting apparatus. Here, we combine chlorophyll fluorescence parameters defining photosynthetic and non‐photosynthetic yield of absorbed light energy with a metabolic model of the pennate diatom Phaeodactylum tricornutum. This integration increases the model predictive accuracy regarding growth rate, intracellular oxygen production and consumption, and metabolic pathway usage. Through the quantification of excess electron transport, we uncover the sequential activation of non‐radiative energy dissipation processes, cross‐compartment electron shuttling, and non‐photochemical quenching as the rapid photoacclimation strategy in P. tricornutum. Interestingly, the photon absorption thresholds that trigger the transition between these mechanisms were consistent at low and high incident photon fluxes. We use this understanding to explore engineering strategies for rerouting cellular resources and excess light energy towards bioproducts in silico . Overall, we present a methodology for incorporating a common, informative data type into computational models of light‐driven metabolism and show its utilization within the design–build–test–learn cycle for engineering of photosynthetic organisms.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Implications of the isobar-run results for the chiral magnetic effect in heavy-ion collisions

The chiral magnetic effect (CME) is a macroscopic transport phenomenon induced by a quantum anomaly in the presence of chiral imbalance and an external magnetic field. Relativistic heavy ion collisions provide the unique opportunity to look for CME in a non-Abelian plasma, where the chiral imbalance is created by topological transitions similar to those occurring in the early universe. The isobar run at Relativistic Heavy Ion Collider was proposed as a way to separate the possible CME signal driven by magnetic field from the background. The first blind analysis results from this important experiment were recently released by the STAR Collaboration. Notably, under the pre-defined assumption of identical background in RuRu and ZrZr, the results are inconsistent with the presence of CME, as well as with all existing theoretical models (whether including CME or not). However the observed difference of backgrounds must be taken into account before any physical conclusion is drawn. In this paper, we show that once the observed difference in hadron multiplicity and collective flow are quantitatively taken into account, the STAR results could be consistent with a finite CME signal contribution of about (6.8 ± 2.6)%.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Evaluating Pressure‐dependent Discharge Behavior of Foil Versus In situ Plated Lithium Metal Anodes in Solid‐State Batteries

Abstract Anode‐free manufacturing of solid‐state batteries (SSBs) shows promise to maximize energy density by eliminating excess lithium (Li) and simplifying battery production. However, high reversibility during discharge (stripping of Li) is necessary for long‐lifetime SSBs with a limited Li reservoir. Further, the plastic flow of Li changes depending on the Li thickness, leading to possible differences in discharge performance under stack pressure. This work investigates the pressure‐dependent discharge performance of anode‐free manufactured SSBs with in situ plated Li and compares the performance to that of conventional thick Li foil cells. Distinct stripping behavior is observed at low pressures (0–1 MPa), where Li diffusivity and initial interfacial contact may control accessible capacity, compared to high pressures (3–10 MPa) where mechanical deformation of Li likely governs stripping behavior. Analysis of impedance spectra collected during stripping shows that additional stack pressure delays the formation of deep, as opposed to lateral, voids in the Li anode. These results provide insights to guide the transition from thick Li foil anodes to anode‐free manufactured SSBs.

Haslam, Catherine G.↗

DOE OSTI2021

On the violation of the zeroth law of turbulence in space plasmas

The zeroth law of turbulence states that, for fixed energy input into large-scale motions, the statistical steady state of a turbulent system is independent of microphysical dissipation properties. This behaviour, which is fundamental to nearly all fluid-like systems from industrial processes to galaxies, occurs because nonlinear processes generate smaller and smaller scales in the flow, until the dissipation – no matter how small – can thermalise the energy input. Using direct numerical simulations and theoretical arguments, we show that in strongly magnetised plasma turbulence such as that recently observed by the Parker Solar Probe spacecraft, the zeroth law is routinely violated. Namely, when such turbulence is ‘imbalanced’ – when the large-scale energy input is dominated by Alfvénic perturbations propagating in one direction (the most common situation in space plasmas) – nonlinear conservation laws imply the existence of a ‘barrier’ at scales near the ion gyroradius. This causes energy to build up over time at large scales. The resulting magnetic-energy spectra bear a strong resemblance to those observed in situ , exhibiting a sharp, steep kinetic transition range above and around the ion-Larmor scale, with flattening at yet smaller scales. The effect thus offers a possible solution to the decade-long puzzle of the position and variability of ion-kinetic spectral breaks in plasma turbulence. The existence of the ‘barrier’ also suggests that, how a plasma is forced at large scales (the imbalance) may have a crucial influence on thermodynamic properties such as the ion-to-electron heating ratio.

Physics↗

DOE OSTI2025

Cyanobacterial circadian regulation enhances bioproduction under subjective nighttime through rewiring of carbon partitioning dynamics, redox balance orchestration, and cell cycle modulation

Abstract Background The industrial feasibility of photosynthetic bioproduction using cyanobacterial platforms remains challenging due to insufficient yields, particularly due to competition between product formation and cellular carbon demands across different temporal phases of growth. This study investigates how circadian clock regulation impacts carbon partitioning between storage, growth, and product synthesis in Synechococcus elongatus PCC 7942, and provides insights that suggest potential strategies for enhanced bioproduction. Results After entrainment to light-dark cycles, PCC 7942 cultures transitioned to constant light revealed distinct temporal patterns in sucrose production, exhibiting three-fold higher productivity during subjective night compared to subjective day despite moderate down-regulation of genes from the photosynthetic apparatus. This enhanced productivity coincided with reduced glycogen accumulation and halted cell division at subjective night time, suggesting temporal separation of competing processes. Transcriptome analysis revealed coordinated circadian clock-driven adjustment of the cell cycle and rewiring of energy and carbon metabolism, with over 300 genes showing differential expression across four time points. The subjective night was characterized by altered expression of cell division-related genes and reduced expression of genes involved in glycogen synthesis, while showing upregulation of glycogen degradation pathways, alternative electron flow components, the pentose phosphate pathway, and oxidative decarboxylation of pyruvate. These molecular changes created favorable conditions for product formation through enhanced availability of major sucrose precursors (glucose-1-phosphate and fructose-6-phosphate) and maintained redox balance through multiple mechanisms. Conclusions Our analysis of circadian regulatory rewiring of carbon metabolism and redox balancing suggests two potential approaches that could be developed for improving cyanobacterial bioproduction: leveraging natural circadian rhythms for optimizing cultivation conditions and timing of pathway induction, and engineering strains that mimic circadian-driven metabolic shifts through controlled carbon flux redistribution and redox rebalancing. While these strategies remain to be tested, they could theoretically improve the efficiency of photosynthetic bioproduction by enabling better temporal separation between cell growth, carbon storage accumulation, and product synthesis phases.

59 BASIC BIOLOGICAL SCIENCES↗