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At least 199 records · Page 11

Power and particle exhaust in the ST-E1 fusion power plant

Power exhaust challenges and potential solutions for a 5 m major radius, low-aspect ratio burning tokamak have been explored. 1D edge plasma models have been used to screen for access to detachment using short and long outer divertor legs in double and single null configurations, using Ar as the primary impurity and assuming tungsten plasma-facing components (PFCs). These show that detachment access can be accessed for all but the most conservative assumptions on scrape-off layer (SOL) width and power, but that trade-offs will be required between magnet engineering and the size of the acceptable window of as-yet uncertain plasma parameters. SOLPS-ITER was used to further model selected plasma scenarios, confirming that Ar seeding can be used to achieve dissipative divertor scenarios with peak deposited heat fluxes below 15 MWm -2 . Initial scoping of first wall loads and positioning of limiters has been carried out, showing the feasibility of protecting the breeding blanket wall during steady state without impeding tritium breeding. Initial PFC technology selection is also presented, identifying this as a critical area where further work is needed to find an attractive solution for helium-cooled PFCs that can handle high heat fluxes without excessive power requirements. Key questions and trade-offs for concept development have been identified, including: how to achieve high radiation for reduction of SOL power without core performance degradation; whether power exhaust can be well-controlled in a double null plasma; mechanical design and materials challenges of high-heat flux PFCs; and control of material erosion, redeposition and tritium retention.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Nonparametric extensions of nuclear equations of state: Probing the breakdown scale of relativistic mean-field theory

Phenomenological calculations of the properties of dense matter, such as relativistic mean-field theories, represent a pathway to predicting the microscopic and macroscopic properties of neutron stars. However, such theories do not generically have well-controlled uncertainties and may break down within neutron stars. To faithfully represent the uncertainty in this breakdown scale, we develop a hybrid representation of the dense-matter equation of state, which assumes the form of a relativistic mean-field theory at low densities, while remaining agnostic to any nuclear theory at high densities. To achieve this, we use a nonparametric equation of state model to incorporate the correlations of the underlying relativistic mean-field theory equation of state at low pressures and transition to more flexible correlations above some chosen pressure scale. We perform astrophysical inference under various choices of the transition pressure between the theory-informed and theory-agnostic models. Here, we further study whether the chosen relativistic mean-field theory breaks down above some particular pressure and find no such evidence. Using simulated data for future astrophysical observations at about two-to-three times the precision of current constraints, we show that our method can identify the breakdown pressure associated with a potential strong phase transition.

Equations of state of nuclear matter↗

Spatial BCS-BEC crossover in superconducting $\textit{p–n}$ junctions

Here, we present a theory of superconducting $\textit{p–n}$ junctions. To this end, we consider a two band model of doped bulk semiconductors with attractive interactions between the charge carriers and derive the superconducting order parameter, the quasiparticle density of states, and the chemical potential as a function of the semiconductor gap $Δ_0$ and the doping level ε. We verify previous results for the quantum phase diagram for a system with constant density of states in the conduction and valence band, which show BCS-superconductor to Bose-Einstein-condensation (BEC) and BEC-to-insulator transitions as a function of doping level and the size of the band gap. Then, we extend this formalism to a density of states which is more realistic for 3D systems and derive the corresponding quantum phase diagram, where we find that a BEC phase can only exist for small band gaps $Δ_0 < Δ ^{\ast}_0$. For larger band gaps, we find rather a direct transition from an insulator to a BCS phase. Next, we apply this theory to study the properties of superconducting $\textit{p–n}$ junctions. We derive the spatial variation of the superconducting order parameter along the $\textit{p–n}$ junction. As the potential difference across the junction leads to energy band bending, we find a spatial crossover between a BCS and BEC condensate, as the density of charge carriers changes across the $\textit{p–n}$ junction. For the two-dimensional system, we find two possible regimes, when the bulk is in a BCS phase, a BCS-BEC-BCS junction with a single BEC layer in the space charge region, and a BCS-BEC-I-BEC-BCS junction with two layers of BEC condensates separated by an insulating layer. In three dimensions we find that there can also be a conventional BCS-I-BCS junction for semiconductors with band gaps exceeding $Δ^{\ast}_0$. Thus, we find that there can be BEC layers in the well controlled setting of doped semiconductors, where the doping level can be varied to change and control the thickness of BEC and insulator layers, making Bose-Einstein condensates thereby possibly accessible to experimental transport and optical studies in solid-state materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Negative capacitance regime in ferroelectrics demystified from nonequilibrium molecular dynamics

Negative capacitance regime in ferroelectrics is associated with the negative slope in the dependence of the polarization on electric field and is prohibited by the laws of equilibrium thermodynamics. Very recently, it developed into a controversial but very productive area with a promise for next generation low-power transistors. At least, in part, the controversies arise from the lack of direct experimental insight into the mechanism for such phenomena. Although the experimental insight is, indeed, challenging at present, we probe the effect in ferroelectric PbTiO 3 bulk and a thin film with realistic first-principles-based nonequilibrium molecular dynamics simulations which model most closely experimental conditions. Here, the following insights emerge from the simulations: (i) the ferroelectric never enters the thermodynamically forbidden region even under extreme rates of electric-field application; (ii) the negative slope naturally arises when the compensating charge is either scarce or slowed down by the external circuitry; (iii) the negative slope is well controlled by the interplay between the applied step pulse field and the amount of the screening charge. The latter can be used to design the negative capacitance regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Self-consistent quasiparticle G W and hybrid functional calculations for Al/InAs/Al heterojunctions: Band offset and spin-orbit coupling effects

The electronic structure of surfaces and interfaces plays a key role in the properties of quantum devices. Here, we study the electronic structure of realistic Al/InAs/Al heterojunctions using a combination of density functional theory with hybrid functionals and state-of-the-art quasiparticle G W (QSGW) calculations. We find a good agreement between QSGW calculations and hybrid functional calculations, which themselves compare favorably well with angle-resolved photoemission spectroscopy experiments. Our paper confirms the need for well-controlled quality of the interfaces to obtain the needed properties of InAs/Al heterojunctions. A detailed analysis of the effects of spin-orbit coupling on the spin splitting of the electronic states shows a linear scaling in k space, related to the two-dimensional nature of some interface states. The good agreement by QSGW and hybrid functional calculations opens the door towards trustable use of an effective approximation to QSGW for studying very large heterojunctions. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗

Detailed study of quark-hadron duality in spin structure functions of the proton and neutron

Background: The response of hadrons, the bound states of the strong force (QCD), to external probes can be described in two different, complementary frameworks: as direct interactions with their fundamental constituents, quarks and gluons, or alternatively as elastic or inelastic coherent scattering that leaves the hadrons in their ground state or in one of their excited (resonance) states. The former picture emerges most clearly in hard processes with high momentum transfer, where the hadron response can be described by the perturbative expansion of QCD, while at lower energy and momentum transfers, the resonant excitations of the hadrons dominate the cross section. The overlap region between these two pictures, where both yield similar predictions, is referred to as quark-hadron duality and has been extensively studied in reactions involving unpolarized hadrons. Some limited information on this phenomenon also exists for polarized protons, deuterons, and 3 He nuclei, but not yet for neutrons. Purpose: In this paper, we present comprehensive and detailed results on the correspondence between the extrapolated deep inelastic structure function g 1 of both the proton and the neutron with the same quantity measured in the nucleon resonance region. Thanks to the fine binning and high precision of our data, and using a well-controlled perturbative QCD (pQCD) fit for the partonic prediction, we can make quantitative statements about the kinematic range of applicability of both local duality and global duality. Method: We use the most updated QCD global analysis results at high x from the Jefferson Lab Angular Momentum Collaboration to extrapolate the spin structure function g 1 into the nucleon resonance region and then integrate over various intervals in the scaling variable x. We compare the results with the large data set collected in the quark-hadron transition region by the CLAS Collaboration, including, for the first time, deconvoluted neutron data, integrated over the same intervals. We present this comparison as a function of the momentum transfer Q 2 . Results: We find that, depending on the integration interval and the minimum momentum transfer chosen, a clear transition to quark-hadron duality can be observed in both nucleon species. Furthermore, we show, for the first time, the approach to scaling behavior for g 1 measured in the resonance region at sufficiently high momentum transfer. Conclusions: Here, our results can be used to quantify the deviations from the applicability of pQCD for data taken at moderate energies and can help with extraction of quark distribution functions from such data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Test of Causal Nonlinear Quantum Mechanics by Ramsey Interferometry with a Trapped Ion

Quantum mechanics requires the time evolution of the wave function to be linear. While this feature has been associated with the preservation of causality, a consistent causal nonlinear theory was recently developed. Interestingly, this theory is unavoidably sensitive to the full physical spread of the wave function, rendering existing experimental tests for nonlinearities inapplicable. Here, in this work, using well-controlled motional superpositions of a trapped ion, we set a stringent limit of 5.4×10 –12 on the magnitude of the unitless scaling factor $\tilde{ε}_γ$ for the predicted causal nonlinear perturbation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Validity of a finite temperature expansion for dense nuclear matter

In this work we provide a new, well-controlled expansion of the equation of state of dense matter from zero to finite temperatures (𝑇) while covering a wide range of charge fractions (𝑌 𝑄 ), from pure neutron to isospin symmetric nuclear matter. Our expansion can be used to describe neutron star mergers using the equation of state inferred from neutron star observations. We discuss how knowledge from low-energy nuclear experiments and heavy-ion collisions can be directly incorporated into the expansion. We also suggest new thermodynamic quantities of interest that can be calculated from theoretical models or directly inferred by experimental data that can be used to infer the finite temperature equation of state. With our new method, we can quantify the uncertainty in our finite 𝑇 and 𝑌 𝑄 expansions without making assumptions about the underlying degrees of freedom. We can reproduce results from a microscopic equation of state up to 𝑇 = 100 MeV for baryon chemical potential 𝜇 𝐵 ≳ 1100 MeV [≈(1–2)⁢𝑛 sat ] within 5% error, with even better results for larger 𝜇 𝐵 and/or lower 𝑇. We investigate the sources of numerical and theoretical uncertainty and discuss future directions of study.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Battle of the Defaults: Extracting Performance Characteristics of HDF5 under Production Load

Popular parallel I/O libraries, such as HDF5, provide tuning parameters to obtain superior performance. However, the selection of effective parameters on production systems is complex due to the interdependence of I/O software and file system layers. Hence, application developers typically use the default parameters and often experience poor I/O performance. This work conducts a benchmarking-based analysis on the HDF5 behaviors with a wide variety of I/O patterns to extract performance characteristics under the production workload. To make the analysis well controlled, we exercise I/O benchmarks on POSIX-IO, MPI-IO, and HDF5 using the same I/O patterns and in the same jobs. To address high performance variability in production environments, we repeat the benchmarks across I/O patterns, storage devices, and time intervals. Based on the results, we identified consistent HDF5 behaviors that appropriate configurations and operations on dataset layout and file-metadata placement can improve performance significantly. We apply our findings and evaluate the tuned I/O library on two supercomputers: Summit and Cori. The results show that our tuned parameters can achieve more than 10× I/O performance speedup than that with default parameters on both systems, suggesting the effectiveness, stability, and generality of our solution.

Xie, Bing↗

A Penalty Scheme for Mitigating Uninstructed Deviation of Generation Outputs From Variable Renewables in a Distribution Market

With rapid growth of distributed renewable generation, the establishment of electricity distribution markets has attracted widespread concerns. Different from existing transmission grid-scale electricity markets, an electricity distribution market is featured by numerous small-scale prosumers, and zero marginal cost and intermittency of renewable generation units. Against this background, this paper first extends an average pricing market (APM) mechanism for pricing renewable generation outputs with zero marginal cost in the distribution network concerned. Then, to mitigate the uninstructed volatility of renewable generation outputs and power demand, a penalty scheme is proposed for deviations between the real-time demand/output and market cleared bid/offer, with frequency regulation service (FRS) from energy storage systems (ESSs) considered. It is proved that the market volatility can be well controlled within an expected limit through properly setting the penalty prices for load demand and generation output fluctuations. Also, with this mechanism a non-negative market surplus could always be attained. Case studies are carried out to demonstrate the feasibility and efficiency of the proposed distribution market mechanism and penalty scheme.

electricity distribution market↗

Quantitative Correction of Ohmic Effects on Square Wave Voltammetry for High-Concentration Soluble-Soluble Redox Reactions in Molten Salts

Molten salts are of particular interest for a variety of industrial applications. As such, accurate characterization of species’ concentrations within the molten salt media is critical to ensure a well-controlled unit operation. Although electroanalytical tools are properly suited for precise in situ monitoring in these systems, uncompensated ohmic resistance R Ω can lead to erroneous, technique-dependent results. Using numerical simulations applied to a model system, this work will first illustrate then quantify the extent to which R Ω attenuates square wave voltammograms. This approach allows for post-experiment correction that leads to converging results across voltammetric techniques and facilitates accurate predictions of species’ concentrations.

Shaheen, Nora A. [Argonne National Laboratory (ANL↗

A multimodal and integrated approach to interrogate human kidney biopsies with rigor and reproducibility: guidelines from the Kidney Precision Medicine Project

Comprehensive and spatially mapped molecular atlases of organs at a cellular level are a critical resource to gain insights into pathogenic mechanisms and personalized therapies for diseases. The Kidney Precision Medicine Project (KPMP) is an endeavor to generate three-dimensional (3-D) molecular atlases of healthy and diseased kidney biopsies by using multiple state-of-the-art omics and imaging technologies across several institutions. Obtaining rigorous and reproducible results from disparate methods and at different sites to interrogate biomolecules at a single-cell level or in 3-D space is a significant challenge that can be a futile exercise if not well controlled. Here we describe a “follow the tissue” pipeline for generating a reliable and authentic single-cell/region 3-D molecular atlas of human adult kidney. Our approach emphasizes quality assurance, quality control, validation, and harmonization across different omics and imaging technologies from sample procurement, processing, storage, shipping to data generation, analysis, and sharing. We established benchmarks for quality control, rigor, reproducibility, and feasibility across multiple technologies through a pilot experiment using common source tissue that was processed and analyzed at different institutions and different technologies. A peer review system was established to critically review quality control measures and the reproducibility of data generated by each technology before their being approved to interrogate clinical biopsy specimens. The process established economizes the use of valuable biopsy tissue for multiomics and imaging analysis with stringent quality control to ensure rigor and reproducibility of results and serves as a model for precision medicine projects across laboratories, institutions and consortia.

59 BASIC BIOLOGICAL SCIENCES↗

Extreme Miller cycle with high intake boost for improved efficiency and emissions in heavy-duty diesel engines

This study experimentally investigates the impact of extreme Miller cycle strategies paired with high intake manifold pressures on the combustion process, emissions, and thermal efficiency of heavy-duty diesel engines. Well-controlled experiments isolating the effect of Miller cycle strategies on the combustion process were conducted at constant engine speed and load (1160 rpm, 1.76 MPa net IMEP) on a single cylinder research engine equipped with a fully-flexible hydraulic valve train system. Late intake valve closing (LIVC) timing strategies were compared to a conventional intake valve profile under either constant cylinder composition, constant engine-out NO x emission, or constant overall turbocharger efficiency (η TC ) to investigate the operating constraints that favor Miller cycle operation over the baseline strategy. Furthermore, utilizing high boost with conventional intake valve closing timing resulted in improved fuel consumption at the expense of sharp increases in peak cylinder pressures, engine-out NO x emissions, and reduced exhaust temperatures. Miller cycle without EGR at constant λ demonstrated LIVC strategies effectively reduce engine-out NO x emissions by up to 35%. However, Miller cycle associated with very aggressive LIVC timings led to fuel consumption penalties due to increased pumping work and exhaust enthalpy. LIVC strategies allowed for increased charge dilution at the baseline NO x constraint of 3.2 g/kWh, resulting in significant fuel consumption benefits over the baseline case without compromising exhaust temperatures or peak cylinder pressures. As Miller cycle implementation was shown to affect the boundary conditions dictating η TC , the LIVC and conventional IVC cases were studied at an equivalent η TC point representative of high boost operation. With high boost, LIVC yielded reduced NO x emissions, reduced peak cylinder pressures, and elevated exhaust temperatures compared to the conventional IVC case without compromising fuel consumption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Deep learning-based temporal deconvolution for photon time-of-flight distribution retrieval

The acquisition of the time of flight (ToF) of photons has found numerous applications in the biomedical field. Over the last decades, a few strategies have been proposed to deconvolve the temporal instrument response function (IRF) that distorts the experimental time-resolved data. However, these methods require burdensome computational strategies and regularization terms to mitigate noise contributions. Herein, we propose a deep learning model specifically to perform the deconvolution task in fluorescence lifetime imaging (FLI). The model is trained and validated with representative simulated FLI data with the goal of retrieving the true photon ToF distribution. Its performance and robustness are validated with well-controlled in vitro experiments using three time-resolved imaging modalities with markedly different temporal IRFs. The model aptitude is further established with in vivo preclinical investigation. Overall, these in vitro and in vivo validations demonstrate the flexibility and accuracy of deep learning model-based deconvolution in time-resolved FLI and diffuse optical imaging.

Pandey, Vikas (ORCID:0000000154771095)↗

In vitro and in vivo NIR fluorescence lifetime imaging with a time-gated SPAD camera

Near-infrared (NIR) fluorescence lifetime imaging (FLI) provides a unique contrast mechanism to monitor biological parameters and molecular events in vivo . Single-photon avalanche diode (SPAD) cameras have been recently demonstrated in FLI microscopy (FLIM) applications, but their suitability for in vivo macroscopic FLI (MFLI) in deep tissues remains to be demonstrated. Herein, we report in vivo NIR MFLI measurement with SwissSPAD2, a large time-gated SPAD camera. We first benchmark its performance in well-controlled in vitro experiments, ranging from monitoring environmental effects on fluorescence lifetime, to quantifying Förster resonant energy transfer (FRET) between dyes. Next, we use it for in vivo studies of target-drug engagement in live and intact tumor xenografts using FRET. Information obtained with SwissSPAD2 was successfully compared to that obtained with a gated intensified charge-coupled device (ICCD) camera, using two different approaches. Our results demonstrate that SPAD cameras offer a powerful technology for in vivo preclinical applications in the NIR window.

47 OTHER INSTRUMENTATION↗

Utah FORGE 5-2419: Temperature Testing of Proppants for EGS and Stimulation of Electromagnetic Fracture Mapping Using Electrically-Conducive Proppants - 2024 Annual Workshop Presentation

This is a presentation on the Temperature Testing of Proppants for EGS and Stimulation of Electromagnetic Fracture Mapping Using Electrically-Conducive Proppants by Stevens Institute of Technology, presented by Cheng Chen. This video slide presentation discusses well controlled laboratory experiments testing the high-temperature performance of electrically-conductive and non-electrically-conductive proppants in maintaining fractures hydraulic and electrical conductivities to understand and quantify the thermal-hydrologic-mechanical-chemical mechanisms that regulate the observed behaviors. This will be tested using proppant/fracture imaging via borehole electromagnetic measurements. This presentation was featured in the Utah FORGE R&D Annual Workshop on August 15, 2024.

15 GEOTHERMAL ENERGY↗

Benchmarking the Use of BPM Quadrupole Moments to Measure Emittance

For the PIP-II program, transverse emittance in the Fermilab Booster must remain well controlled at higher bunch intensities. 4-plate beam position monitors (BPMs) have a small but measurable quadrupole moment, making it possible to infer transverse emittance. By compositing many BPMs together, it becomes possible to improve the quality of the quadrupole signal. The Fermilab Booster BPM system has been used to measure these quadrupole moments in the past year and derive emittances from them. Recent benchmarks show that the derived BPM emittances show similar emittance evolution and value to IPM and Multiwire data. This approach can both supplement and complement existing non-intercepting emittance monitors in accelerators.

Balcewicz, M. A. [Fermilab]↗

Deep Learning–Assisted Multiobjective Optimization of Geological CO 2 Storage Performance under Geomechanical Risks

In geological CO 2 storage, designing the optimal well control strategy for CO 2 injection to maximize CO 2 storage while minimizing the associated geomechanical risks is not trivial. This challenge arises due to pressure buildup, CO 2 plume migration, the highly nonlinear nature of geomechanical responses to rock-fluid interaction, and the high computational cost associated with coupled flow and geomechanics simulations. In this paper, we introduce a novel optimization framework to address these challenges. The optimization problem is formulated as follows: maximize total CO 2 storage while minimizing geomechanical risks by adjusting the injection schedules within bounded constraints. The geomechanical risks are primarily driven by injection-induced pressure build-up, which is characterized by ground displacement and the induced microseismicity. We used the Fourier neural operator (FNO)-based deep learning model to construct surrogate models, replacing the time-consuming coupled flow and geomechanics simulations for evaluating the aforementioned objective functions. The developed surrogate models have been incorporated into a multiobjective optimization framework through a genetic algorithm to reduce the computational burden. The proposed optimization framework reduces the computational cost from approximately 2,400 hours, when using objective function evaluations based on physics-based simulations, to around 20 minutes. A set of Pareto-optimal solutions of the proposed workflow yields nontrivial optimal decisions, reducing the microseismicity potential and the vertical displacement. This Pareto front highlights the optimal trade-offs between CO 2 storage amount, safety, and ground displacement, emphasizing the need for careful optimization and management of injection strategies to achieve a balanced outcome. The novelty of this work is twofold. First, we demonstrate the importance of incorporating the minimization of the geomechanical risks as objective functions into the CO 2 storage optimization workflow to mitigate the potential risk of induced microseismicity and ground displacement. Second, we leverage the FNO-based surrogate models to optimize a real-field CO 2 storage operation.

42 ENGINEERING↗