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At least 649 records · Page 36

Hitting the Thermal Target for Leptophilic Dark Matter at Future Lepton Colliders

We study future lepton collider prospects for testing predictive models of leptophilic dark matter (DM) candidates with a thermal origin. We calculate experimental milestones for testing the parameter space compatible with freeze-out and the associated collider signals at past, present, and future facilities. This analysis places new limits on such models by leveraging the utility of lepton colliders. At 𝑒+⁢𝑒− machines, we make projections using precision 𝑍 -pole observables from 𝑒+⁢𝑒−→ℓ+⁢ℓ−+𝐸 signatures at large electron-positron collider and future projections for future circular collider (ee) in these channels. Additionally, a muon collider could also probe new thermal relic parameter space in this scenario via 𝜇+⁢𝜇−→𝑋+𝐸 , where 𝑋 is any easily identifiable standard model object. Collectively, these processes can probe much of the parameter space for which DM direct annihilation to ℓ+⁢ℓ− yields the observed relic density in Higgs-like models with mass-proportional couplings to charged leptons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Analysis of heat transfer and AuNPs-mediated photo-thermal inactivation of E. coli at varying laser powers using single-phase CFD modeling

In the wake of the COVID-19 pandemics, the demand for innovative and effective methods of bacterial inactivation has become a critical area of research, providing the impetus for this study. The purpose of this research is to analyze the AuNPs-mediated photothermal inactivation of E. coli. Gold nanoparticles irradiated by laser represent a promising technique for combating bacterial infection that combines high-tech and scientific progress. The intermediate aim of the work was to present the calibration of the model with respect to the gold nanorods experiment. The purpose of this work is to study the effect of initial concentration of E. coli bacteria, the design of the chamber and the laser power on heat transfer and inactivation of E. coli bacteria. Using the CFD simulation, the work combines three main concepts. 1. The conversion of laser light to heat has been described by a combination of three distinctive approximations: a- Discrete particle integration to take into account every nanoparticle within the system, b- Rayleigh-Drude approximation to determine the scattering and extinction coefficients and c- Lambert–Beer–Bourger law to describe the decrease in laser intensity across the AuNPs. 2. The contribution of the presence of E. coli bacteria to the thermal and fluid-dynamic fields in the microdevice was modeled by single-phase approach by determining the effective thermophysical properties of the water-bacteria mixture. 3. An approach based on a temperature threshold attained at which bacteria will be inactivated, has been used to predict bacterial response to temperature increases. The comparison of the thermal fields and temporal temperature changes obtained by the CFD simulation with those obtained experimentally confirms the accuracy of the light-heat conversion model derived from the aforementioned approximations. The results show a linear relationship between maximum temperature and variation in laser power over the range studied, which is in line with previous experimental results. It was also found that the temperature inside the microchamber can exceed 55 °C only when a laser power higher than 0.8 W is used, so bacterial inactivation begins. The experimental data allows to determinate the concentration of nanoparticles. This parameter is introduced into the mathematical model obtaining the same number of AuNPs. However, this assumption introduces a certain simplification, as in the mathematical model the distribution of nanoparticles is uniform. This work is directly connected to the use of gold nanoparticles for energy conversion, as well as the field of bacterial inactivation in microfluidic systems such as lab-on-a-chip. Presented mathematical and numerical models can be extended to the entire spectrum of wavelengths with particular use of white light in the inactivation of bacteria. This work represents a significant advancement in the field, as to the best of the authors’ knowledge, it is the first to employ a single-phase computational fluid dynamics (CFD) approach specifically combined with the thermal inactivation of bacteria. Moreover, this research pioneers the use of a numerical simulation to analyze the temperature threshold of photothermal inactivation of E. coli mediated by gold nanorods (AuNRs). The integration of these methodologies offers a new perspective on optimizing bacterial inactivation techniques, making this study a valuable contribution to both computational modeling and biomedical applications.

36 MATERIALS SCIENCE

Development of a data-driven neural network model for electron thermal transport in NSTX

A data-driven electron thermal transport neural network (ETT-NN) model, trained on TRANSP interpretative analysis results of National Spherical Torus Experiment (NSTX), was developed to enable faster and more accurate ETT computation for spherical tokamaks (STs). The model incorporates both convolutional NNs and recurrent NNs, allowing it to simultaneously account for the spatial and temporal non-localities and multi-scale features of turbulent transport, which have been considered only in a limited manner in conventional models. The model was validated through interpretative analysis and predictive simulations using Tokamak Reactor Integrated Automated Suite for Simulation and Computation, demonstrating relatively high accuracy. Additionally, parameter scans were performed on test discharges known to exhibit specific turbulent modes, such as microtearing mode, trapped electron mode, kinetic ballooning mode, and electron temperature gradient mode. The scanning results revealed that the ETT-NN model exhibits the same trends as those observed in conventional gyrokinetic simulations or theories, while also capturing the global nature of turbulent transport, indicating that the data-driven model accurately reflects the underlying physical characteristics. Furthermore, due to the dimensionless nature of the model, we can feasibly expand its applicability by incorporating data from other devices and uncovering the characteristics of ETT in STs in the future.

NSTX

Low Carbon Intensity Formic Acid Chemical Synthesis from Direct Air Captured CO 2 Utilizing Chemical Plant Waste Heat - Final Technical Report

The primary objective of Low Carbon Intensity Formic Acid Chemical Synthesis from Direct Air Captured CO 2 Utilizing Chemical Plant Waste Heat (ChemFADAC) is to execute and complete a FEED study for an integrated direct air capture (DAC) and carbon conversion system (together, the DACUS system) co-located at a Nutrien nitric acid production facility in Kennewick, WA capable of capturing and converting a minimum of 5,000 MT/year net atmospheric CO 2 to low carbon intensity formic acid (FA) using industrial waste heat and renewable electricity. The goal will be achieved through the completion of four objectives using a collaborative approach with community stakeholders. Objective 1. Conduct a FEED study and Class 3 project cost estimate for the proposed DACUS system that maximizes use of thermal energy from the Nutrien KFO host site to produce low carbon intensity FA from atmospheric CO 2 . Objective 2. Perform a cradle-to-gate life-cycle analysis of the DACUS system to determine the environmental sustainability and carbon intensity (CI) of the proposed project and product from the results of the FEED study. Objective 3. Perform a business case analysis from results of the LCA, FEED study and cost estimate to justify investment to build the DACUS project at the Nutrien KFO site. Objective 4. Quantify how deployment of the proposed technology will promote and prepare a ready workforce for clean energy and manufacturing jobs and coordinate with community stakeholders to perform an environmental justice and a preliminary economic revitalization and job creation outcomes analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Comparative analysis of new crystal and plastic scintillators for fast and thermal neutron detection

This paper considers scintillation and physical properties of efficient organic scintillators tested as single crystals and as components of plastics with pulse shape discrimination (PSD). For the first time, single crystals of 9,9-dimethyl-2-phenyl-9H-fluorene (PhF) were grown for studies of the basic scintillation properties of this new compound. Comparison to classical organic crystals, like anthracene, trans-stilbene, and p-terphenyl, and to more recently introduced organic glass showed that the new crystal belongs to a group of the most efficient scintillators, with light output exceeding that of trans-stilbene and PSD comparable to that of p-terphenyl. Furthermore, additional studies were conducted to evaluate scintillation performance and physical properties, like hardness and dye leaching, of plastic scintillators prepared with PhF, organic glass, and liquid diisopropylnaphthalene (DIPN) that were considered as examples for potential replacement of PPO (2,5-diphenyloxazole) in current commercial PSD plastic scintillators. Comparison of the highest performing plastic scintillators prepared with these dyes shows that PhF formulations produced a record light output (LO) increase of 69 % relative to EJ-200. Similar improvements obtained with 6 Li-loaded formulations showed that future development of PSD plastics should not be limited to use of PPO but must involve the search and exploration of new efficient dyes that may lead to discovery of much brighter organic scintillators with improved physical properties required for fast and thermal neutron detection, fast neutron spectroscopy, and antineutrino detection applications.

9,9-dimethyl-2-phenyl-9H-fluorene

Distinguishing Thermal Fluctuations from Polaron Formation in Halide Perovskites

Recent angle-resolved photoelectron spectroscopy (ARPES) measurements of the hole effective mass in CsPbBr$_3$ revealed an enhancement of $\sim$50 % compared to the bare mass computed from first principles for CsPbBr$_3$ at $T = 0 K$. This large enhancement was interpreted as evidence of polaron formation. Employing accurate finite-temperature first-principles calculations, we show that the calculated hole effective mass of CsPbBr$_3$ at $T = 300 K$ can explain experimental results without invoking polarons. Thermal fluctuations are particularly strong in halide perovskites compared to conventional semiconductors such as Si and GaAs, and cannot be ignored when comparing with experiment. We not only resolve the debate on polaron formation in halide perovskites, but also demonstrate the general importance of including thermal fluctuations in first-principles calculations for strongly anharmonic materials.

36 MATERIALS SCIENCE

Microwave-Assisted Production of Polycarbonate Diols using Carbon Dioxide

Carbon dioxide (CO2) is a cheap and readily available resource that can be converted to value-added chemicals including fuels, polymers, and other products. One lucrative option is polycarbonate diols, which are the precursor to polyurethanes that find wide applications in automotive and aerospace industries. The traditional process for the synthesis of polycarbonate diols involves using hazardous phosgene and alcohols in a strongly basic medium that generates significant amounts of salt. Alternately, CO2 can be reacted with alkanediols over CeO2 catalysts to produce polycarbonate diols. For the current work, a microwave-assisted atmospheric flow system was investigated for converting CO2 into polycarbonate diols and was compared against a thermal system. Various parameters such as type and ratio of solvents, and the addition of dehydrating agents for the microwave system was tested. The different CeO2 catalysts used were characterized using Brunauer–Emmett–Teller (BET) surface area analysis, Raman spectroscopy, X-ray diffraction, and temperature programmed desorption (NH3-TPD and CO2-TPD).

CO2 utilization

Enhancement of PyARC for Westinghouse Electric Company’s Lead Fast Reactor Design and Modeling (Final TCF Report)

Westinghouse Electric Company is a nuclear reactor vendor headquartered in the U.S. that is developing advanced reactor technology for the U.S. and global markets. Westinghouse has been relying on the neutronics Argonne Reactor Codes (ARC) executed through the NEAMS Workbench and its PyARC module that are developed under the DOE-NE Nuclear Energy Advanced Modeling and Simulation (NEAMS) and Advanced Reactor Technology (ART) – Fast Reactor programs. Through this user experience, Westinghouse identified several enhancements that would benefit the ARC codes’ usability by the US industry and therefore its commercialization potential. The enhancements were proposed to deliver both improvements in workflow and analysis capabilities to better support effective fast reactor core design and analysis to the nuclear industry. The PyARC workflow was extended in this project by integrating non-neutronic ARC codes DASSH and NUBOW-3D. The Ducted Assembly Steady-State Heat equation (DASSH) code is developed at ANL to perform steady-state thermal hydraulic sub-channel analysis in liquid metal fast reactor assemblies to determine optimized coolant flow and temperature distributions, which in this project was updated and validated for lead fast reactor (LFR) applications. The interface between REBUS and NUBOW-3D were improved in this project to assess the impact of the core restraint design and thermal induced expansion effects on the reactivity of the core, and to model the deformations of the fuel assemblies induced by temperature and irradiation. Finally, the ARC models that were extensively verified and validated through various SFR-based modeling benchmarks are extended in this project through code-to-code comparison on relevant LFR-specific neutronics benchmarks against Monte-Carlo neutronic solutions. Overall, this work enables verification of the capability of the ARC codes for a wide range of Generation-IV reactor designs. The outcome of this project is the release of a comprehensive modeling toolkit of validated, robust and efficient codes, as well as their user interface, that enables industry to perform a wide range of fast reactor analyses for design and licensing of their concepts.

22 GENERAL STUDIES OF NUCLEAR REACTORS

Erbium-Implanted WS 2 Flakes with Room-Temperature Photon Emission at Telecom Wavelengths

Optically addressable spin impurities in crystals along with device engineering provide an attractive route to realizing quantum technologies in the solid state, but reconciling disparate emitter and host material constraints for a given target application is often challenging. Rare-earth ions in two-dimensional (2D) materials could mitigate this problem given the atomic-like transitions of the emitters and the versatile nature of van der Waals systems. Here we combine ion implantation, confocal microscopy, and ab initio calculations to examine the photon emission of Er-doped WS 2 flakes. Optical spectroscopy reveals narrow, long-lived photoluminescence lines in the telecom band, which we activate after low-temperature thermal annealing. Spectroscopic and polarization-selective measurements show a uniform response across the ensemble, while the fluorescence brightness remains mostly unchanged with temperature, suggesting nonradiative relaxation channels are inefficient. Our results create opportunities for novel solid state devices coupling 2D-hosted, telecom-band emitters to photonic heterostructures separately optimized for photon manipulation.

77 NANOSCIENCE AND NANOTECHNOLOGY

Salt-Induced Polymorphs Observed in Colloidal Single Crystals

Polymorphs are solid materials with the same chemical composition but different crystallographic structures. A unique aspect of polymorphs is that they exhibit different physical properties, such as solubility, melting point, density, color, hardness, and bioavailability. Here, we synthesized polymorphs of colloidal crystals engineered with DNA by slow-cooling gold nanoparticle-core programmable atom equivalents (PAEs, particles with DNA sequences that control their bonding characteristics) under salt concentrations ranging from 0.5 to 4 M NaCl. This approach yielded a diverse set of single-crystalline phases with cubic, tetragonal, and hexagonal lattice symmetries. The structural transitions observed here arise solely from the modulation of interparticle repulsion via ionic strength and thermal processing. Notably, in certain cases, we observed diffusionless phase transformations, wherein the superlattices evolve from cubic to lower-symmetry tetragonal lattices. By tuning the thermal stability and salt concentration, we captured intermediate, metastable body-centered tetragonal structures during the slow-cool process, indicating that subtle changes in free energy can direct crystallization to low-symmetry phases. In conclusion, this study demonstrates that thermal and ionic parameters can be tuned to access and stabilize colloidal crystal polymorphs with emergent structures and interesting functional properties.

Colloidal crystallization

Hydronic Shell: An Affordable Solution for Multifamily Deep Energy Retrofit

Approximately 42% of multi-family buildings in the United States have do not have insulation as required by the building codes. Envelope retrofits of these buildings are needed to improve their thermal performance, provide thermal resilience, and enable a pathway to electrification of space heating systems. Hydronic shell (HS) is a retrofit technique where a stud wall layer is added to a masonry wall along with a convective coil and a fan coil unit fitted in the façade cavity which can provide both heating and cooling to the space. The HS system serves a dual purpose of 1) retrofitting the building envelope and 2) retrofitting the HVAC system and enabling electrification of space heating. The electrification of space heating is possible from the installation of a combination of hydronic system/fan coil unit system which uses a central heat pump as a source of heating water in the cavity between the existing wall and retrofit insulation layer. This study evaluates the performance of the HS system at varying outdoor conditions mimicked by a climate chamber and hot water supply temperature from a water bath. During the ramp-up period, the indoor chamber temperature could be increased from 66 ºF to 69.5 ºF within an hour using heating water at 120 ºF when the outdoor chamber temperature was at 0 ºF. When the indoor chamber temperature was maintained within a deadband, variation in cavity air temperature was mostly influenced by the duration when water was flowing through the cavity convector. It was seen from the testing that the hydronic system alone without use of fan in the system is able to maintain the space temperature at coldest outdoor condition used in the experiment (0 ºF) even at lowest hot water supply temperature chosen (90 ºF). During the ramp-down period, the fastest decline in temperature took 6.4 hours from temperature to drop from 69.6 ºF to 66 ºF which shows tremendous potential of thermal resilience and peak load shifting.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Innovative Nuclear Materials Outboard-A Project Specimen Preparation Guide

The Innovative Nuclear Materials (INM) Program was recently established by the U.S. Department of Energy (DOE) to develop advanced material technologies for use in nuclear reactors. The INM program is presently focused on researching in-core non-fueled materials for application in fast spectrum nuclear reactors. The widespread deployment of fast reactors continues to be a prominent aspiration for advanced nuclear technology developers. However, companies working to license these reactors have no choice but to rely on historic material technologies since further optimization and advancement of these materials is impeded by the lack of fast neutron irradiation test facilities. INM-OA is a non-fueled drop-in experiment which will irradiate material specimens of interest to fast reactor applications. This experiment will be irradiated at Idaho National Laboratory (INL) in the Advanced Test Reactor (ATR) outboard-A (OA) position during normal and high temperature steady state (HTSS) cycles. It will include material specimens supplied by members of the INM program and will utilize a cadmium-lined basket to filter out incident thermal neutrons, thus simulating a faster neutron energy spectrum. Material specimens will undergo post-irradiation examination including microscopy and mechanical testing. In addition to absorption reactions, fast neutrons cause microstructural damage in materials by atom displacement, which can cause exacerbated changes in physical properties and behavior. Thus, the data obtained from the INM-OA experiment will be crucial for understanding the engineering-scale behavior of reactor materials. This document is intended for the Principal Investigators providing samples for this project. Topics included are a general description of the experiment, the irradiation experiment/capsule design, sample geometries, number of samples to be provided, documentation to be provided, a brief list potentially useful characterization methods that can be leveraged at INL, and other miscellaneous requirements specific to this project. This document is intended for informational use only.

innovative nuclear materials

Embedding Fiber Optic Sensors in Stainless Steel using Spark Plasma Sintering for Structural Health Monitoring in Harsh Environments

Embedded fiber optic sensors such as fiber Bragg gratings (FBGs) offer a unique route for distributed real-time in-situ imaging of various engineering parameters for numerous purposes. This study advanced the current sensor embedding approaches by exploring a spark plasma sintering (SPS)-assisted technology to embed FBGs in high-temperature structural materials and demonstrated the capability of temperature measurement. In this approach, single-mode FBGs were integrated into stainless steel (SS) 316L components using SPS, followed by the evaluation of the bonding quality between the FBGs and matrix, the optical attenuation of the fibers induced by embedding, and the sensing characters of the FBGs under temperature stimuli. The results demonstrated that superior bonding was achieved between the FBGs and highly-densified SS316L. Examination of the behavior of Bragg gratings validated signal fidelity after embedding. Real-time thermal imaging under temperature cycling using the FBGs demonstrated the effectiveness of the technique for smart materials manufacturing.

36 - MATERIALS SCIENCE

SciDAC ISEP: Integrated Simulation of Energetic Particles in Burning Plasmas

The objective of the SciDAC Center for Integrated Simulation of Energetic Particles in Burning Plasmas (ISEP) is to improve physics understanding of energetic particle (EP) confinement and EP interactions with burning thermal plasmas through large-scale simulations. The ISEP center will develop a multiscale and multiphysics ISEP framework for a predictive capability of EP physics and deliver an EP module incorporating both first-principles simulations and high fidelity reduced transport models to the fusion whole device modeling (WDM) project. The ISEP framework will enable us to perform long time, global kinetic simulations of EP physics in burning plasmas, by utilizing the full power of the next generation supercomputers. Our research and development activities will build on fruitful collaborations with computer scientists and applied mathematicians to offer enabling technologies for performance scalability, portability, solvers, coupling for integration with the fusion WDM project, and long-term preservation of data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Digital light processing of porous LLZTO scaffolds for Li-garnet solid-state batteries

Li 7 La 3 Zr 2 O 12 (LLZO)-based solid-state electrolytes (SEs) are promising materials for next-generation solid-state batteries. In this work, digital light processing (DLP), an emerging additive manufacturing technology, is employed to produce porous Ta-doped LLZO (LLZTO) scaffolds. The self-standing scaffolds are 100 μm thick and have 40% porosity. The scaffolds demonstrate symmetric cell cycling stability exceeding 1,500 h at 0.1 mA/cm2 current density, with a capacity of 0.1 mAh/cm 2 (1 h for each half cycle). At higher current densities, reversible soft shorts frequently happen, while immediate hard shorts are prevented due to Li dendrite growth being hindered by the tortuous pore network. In addition to the cycling stability, the phase stability of LLZTO is investigated during the post-printing thermal process for printing resin removal. We discovered that the LLZTO partially decomposes into Li 2 Zr 2 O 7 and other impurity phases from 400°C to 800°C, but the pure LLZTO phase is restored upon the completion of resin removal beyond 800°C.

Li-metal anode

Basic Physical Processes Involving Dust in Fusion Plasmas

This report presents the main outcomes of our research focused on understanding the behavior and effects of dust particles in fusion plasmas, particularly in the edge regions of tokamaks and stellarators. We conducted computer modeling studies of burst injections of carbon and tungsten dust particles in DIII-D like divertor plasmas. The studies investigated effects of transient influx of the low- and high-Z material plasma contaminants in form of dust on the edge plasma dynamics in a modern mid-size tokamak. We also performed theoretical and computational studies of the forces acting on non-spherical dust grains in magnetized and nonmagnetized plasmas. In addition, we cooperated with General Atomics slag management group on development of DIII-D dust injection experiments to measure trajectories of dust grains in the divertor plasma and compare them with DUSTT code predictions for validation of the dust modeling capabilities. We collaborated with JET experimentalists on evaluation of radiative losses induced by injection of mixed neon-deuterium ice pellets for disruption and run-away electron generation mitigation during thermal and current quench phases. We also cooperated with experimentalists at LHD fusion device (Japan) on modeling support of experiments on injection of boron granules in fusion plasma discharges to assess their dynamics and effectiveness for in situ dynamic wall conditioning.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

To investigate the reciprocal interactions between dielectric barrier discharges and different biological targets in cell culture medium

The objective of this project was to investigate the dynamic interactions between non-thermal plasma (NTP) and biological targets suspended in a physiological liquid medium. The experiments under this collaborative study were designed to combine theoretical and experimental approaches to test the hypothesis that when living cells (and the growth medium surrounding them) encounter plasma, they reciprocally and dynamically modify each other.

59 BASIC BIOLOGICAL SCIENCES