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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Role of Superlattice Phonons in Charge Localization Across Quantum Dot Arrays

Understanding charge transport in semiconductor quantum dot (QD) assemblies is important for developing the next generation of solar cells and light-harvesting devices based on QD technology. One of the key factors that governs the transport in such systems is related to the hybridization between the QDs. Recent experiments have successfully synthesized QD molecules, arrays, and assemblies by directly fusing the QDs, with enhanced hybridization leading to high carrier mobilities and coherent band-like electronic transport. Here, in this work, we theoretically investigate the electron transfer dynamics across a finite CdSe-CdS core-shell QD array, considering up to seven interconnected QDs in one dimension. We find that, even in the absence of structural and size disorder, electron transfer can become localized by the emergent low-frequency superlattice vibrational modes when the connecting neck between QDs is narrow. On the other hand, we also identify a regime where the same vibrational modes facilitate coherent electron transport when the connecting necks are wide. Overall, we elucidate the crucial effects of electronic and superlattice symmetries and their couplings when designing high-mobility devices based on QD superlattices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Stratification of fluoride uptake among enamel crystals with age elucidated by atom probe tomography

Dental enamel is subjected to a lifetime of de- and re-mineralization cycles in the oral environment, the cumulative effects of which cause embrittlement with age. However, the understanding of atomic scale mechanisms of dental enamel aging is still at its infancy, particularly regarding where compositional differences occur in the hydroxyapatite nanocrystals and what underlying mechanisms might be responsible. Here, we use atom probe tomography to compare enamel from a young (22 years old) and a senior (56 years old) adult donor tooth. Findings reveal that the concentration of fluorine is elevated in the shells of senior nanocrystals relative to young, with less significant differences between the cores or intergranular phases. It is proposed that the embrittlement of enamel is driven, at least in part, by the infusion of fluorine into the nanocrystals and that the principal mechanism is de- and re-mineralization cycles that preferentially erode and rebuild the nanocrystals shells.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Novel method to control explosive shock sensitivity: Formulations, experiments and modeling

The microstructure of a heterogeneous high explosive (HE) affects its shock initiation sensitivity and detonation performance. Alteration of the void content and/or void structure (i.e., bulk heating or mechanical damage) therefore changes the shock initiation behavior. Controlling and predicting the change in shock sensitivity after an HE has undergone microstructural changes addresses an important and challenging goal for the design and understanding of novel energetic material formulations. In this study, we aimed to develop HE systems to precisely tune shock sensitivity by a thermal treatment prior to use. Specifically, we incorporated a small fraction (1 wt% or less) of thermally expandable microspheres (TEMs) during the formulation process of various plastic-bonded explosives (PBX). TEMs typically consist of a thermoplastic acrylonitrile shell (10-50 µm diameter), which encapsulates an inert low boiling hydrocarbon. Upon heating, the TEMs expand as the shell softens while the hydrocarbon gasifies, increasing the internal pressure and expanding the particle by as much as 120 vol% (irreversibly). Here, we present our progress on shock sensitivity comparisons of HE formulations doped with TEMs after heating and expansion. Experiments, using Composition C-4 thermally cycled to 120°C, showed an increase in shock sensitivity. Additionally, mesoscale modeling revealed that the TEM itself does not act as a hotspot, but instead has a secondary effect on the response of nearby voids. We conclude that TEMs indeed do provide a method to tune shock sensitivity. Further, our results emphasize the non-uniformity of shock waves at the mesoscale, and that upstream defects influence the reactivity of downstream defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Impact of hohlraum cooling on ignition metrics for inertial fusion implosions

This paper extends the evaluation of ignition metrics to include the impact of hohlraum cooling before peak implosion velocity in radiation driven implosions. First, we provide an extension of the results for the key hot spot stagnation quantities from the 2018 paper. The modified analytic expressions presented here match the Hydra results for these National Ignition Facility scale implosions both with and without hohlraum cooling before peak velocity if the effective ablation pressure P abl (effective) = P abl (t pv - 0.5 ns) is used in the analytic formulas, where t pv is the time of peak implosion velocity. Second, we provide an analysis that enables a comparison of the Hydra radiation hydrodynamics code calculations utilized here with the predictions of the analytic piston model of an ICF implosion, which focused on sensitivity to time duration of the hohlraum cooling phase before peak velocity (often called the “coast time”) and the shell radius at peak velocity R pv . Third, we provide a set of ignition metrics that are valid across a wide range of capsule designs valid for implosions both with and without hohlraum cooling before peak implosion velocity is reached.

42 ENGINEERING↗
DOE OSTI2021

System Configuration Evaluation for Process Settling of Hanford Waste Solid Particles

Direct Feed High-Level Waste (DFHLW) is a potential flowsheet operations approach to initiating high-level waste (HLW) vitrification prior to completion of the Hanford Waste Treatment and Immobilization Plant (WTP) Pretreatment Facility. A settle/decant process has been proposed to concentrate solids prior to delivery to the WTP HLW Facility during DFHLW operations, wherein the solids in a settled layer would be remixed with the supernatant liquid remaining after decanting operations to provide the feed at required solids concentrations. Settling would be used in lieu of purpose-built filtration or other solids separation equipment. Pacific Northwest National Laboratory (PNNL) is providing baseline technical support to the Washington River Protection Solutions (WRPS) Flowsheet Integration group. To support planning for DFHLW, WRPS previously requested that PNNL evaluate the current data set available to predict the time needed for HLW solids to settle and the solids concentration and strength of that settled layer, to identify gaps in the understanding and predictive capability of HLW solids waste settling times, and to provide scoping estimates of the potential settling times. Eight technical gaps were identified for predicting settling times and characteristics of the formed sediment layers. In addition to the data gaps, an overarching observation was made that there is significant variation in behavior of settling rate and settled layer data. The settling time required to concentrate solids via a settle/decant process was determined from the limited data to have a difference of potentially more than a factor of 5,000 in the estimated settling times, varying from 0.2 to 1,060 days for example depending on process vessel depth and final sediment solids concentration. In contrast, successful processes of liquid-forward output streams resulting from in-tank settling and decanting forward liquid have been reported for operations conducted at the Hanford Site. The purpose of this current report is to further support DFHLW planning by evaluating double-shell tank (DST) and alternate vessel equipment and operational configurations to enable optimization of the settle/decant process to concentrate solids. Hanford waste processing behavior specific to liquid feed availability following a slurry transfer in a DST is summarized, including process stream characteristics and process equipment configurations. The performance of DST process equipment configurations is evaluated for possible improvements using computational fluid dynamics (CFD) and simple analytical models. Potential new vessel design(s) specific to enabling effective settle/decant processes, and cursory summary of other separate and inline solids separations processes, are also provided. The CFD results indicated that improvement in outflow solids concentration was promoted by a reduction in the slurry flow rate, angling the distributor nozzles downward, and lifting the transfer pump. The solid-liquid analysis evaluating particle trajectory confirmed that the potential for particle ingestion (in the transfer pump) was decreased with increased radial separation between the inlet and outlet (transfer pump inlet), decreased inlet flow, and decreased liquid density and viscosity for a neutrally buoyant inlet flow. An assessment was also made of the potential for inflow configuration changes to result in the discrete mounding or piling of solids within the tank. Based on the characterization of the settled waste to date, HLW sediments will be unlikely to sustain a substantial angle of repose to facilitate significant variations in the elevation of the settled solids.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

A Comparison of Void-finding Algorithms Using Crossing Numbers

We study how well void-finding algorithms identify cosmic void regions and whether we can quantitatively and qualitatively compare the voids they find with dynamical information from the underlying matter distribution. Using the ORIGAMI algorithm to determine the number of dimensions along which dark matter particles have undergone shell crossing (crossing number) in N-body simulations from the AbacusSummit simulation suite, we identify dark matter particles that have undergone no shell crossing as belonging to voids. We then find voids in the corresponding halo distribution using two different void-finding algorithms: VoidFinder and V 2 , a ZOBOV-based algorithm. The resulting void catalogs are compared to the distribution of dark matter particles to examine how their crossing numbers depend on void proximity. While both algorithms' voids have a similar distribution of crossing numbers near their centers, we find that beyond 0.25 times the effective void radius, voids found by VoidFinder exhibit a stronger preference for particles with low crossing numbers than those found by V 2 . We examine two possible methods of mitigating this difference in efficacy between the algorithms. While we are able to partially mitigate the ineffectiveness of V 2 by using the distance from the void edge as a measure of centrality, we conclude that VoidFinder more reliably identifies dynamically distinct regions of low crossing number.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Extending Magnetic Core Shell Nanoparticle Extraction Technology to Cesium and Antimony Removal from Geothermal Brines in New Zealand - CRADA 440

Geo40 Limited has developed and deployed a process to remove silica from geothermal fluids and produce a high-margin specialty colloidal silica product comparable to market leaders. Geo40 now wishes to explore opportunities to extend their mineral extraction operations to other elements that are present in these brines. Geo40 has identified Cs present in Ohaaki brines at ppm level amounts that could be sold to known customers if it could be produced at an attractive price. With support from DOE’s Geothermal Technologies Office, a simple and highly cost-effective magnetic nanofluid method for extraction of rare earth elements (REEs) from geothermal brine solutions has been developed and demonstrated at the laboratory bench scale at Pacific Northwest National Laboratory (PNNL). Moselle Technologies has acquired a license to the background IP associated with this technology and wishes to foster commercial deployment by supporting applications of the technology beyond REEs, including Cs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Measurements of differential cross-sections in four-lepton events in 13 TeV proton-proton collisions with the ATLAS detector

Measurements of four-lepton differential and integrated fiducial cross-sections in events with two same-flavour, opposite-charge electron or muon pairs are presented. The data correspond to 139 fb -1 of $ \sqrt{s} $ = 13 TeV proton-proton collisions, collected by the ATLAS detector during Run 2 of the Large Hadron Collider (2015–2018). The final state has contributions from a number of interesting Standard Model processes that dominate in different four-lepton invariant mass regions, including single Z boson production, Higgs boson production and on-shell ZZ production, with a complex mix of interference terms, and possible contributions from physics beyond the Standard Model. The differential cross-sections include the four-lepton invariant mass inclusively, in slices of other kinematic variables, and in different lepton flavour categories. Also measured are dilepton invariant masses, transverse momenta, and angular correlation variables, in four regions of four-lepton invariant mass, each dominated by different processes. The measurements are corrected for detector effects and are compared with state-of-the-art Standard Model calculations, which are found to be consistent with the data. The Z → 4 ℓ branching fraction is extracted, giving a value of (4.41 ± 0.30) × 10 -6 . Constraints on effective field theory parameters and a model based on a spontaneously broken B – L gauge symmetry are also evaluated. Further reinterpretations can be performed with the provided information.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Core of 25 F studied by the 25 F(–p) proton-removal reaction

The 9 Be( 25 F(5/2 + ), 24 O)X proton-removal reaction was studied at the NSCL using the S800 spectrometer. The experimental spectroscopic factor for the ground-state to ground-state transition indicates a substantial depletion of the proton d 5/2 strength compared to shell-model expectations, similar to the findings of an inverse-kinematics (p,2p) measurement performed at RIBF. The 25 F to 24 O ground-states overlap is considerably less than anticipated if the core nucleons behaved as rigid, doubly-magic 24 O within 25 F. We interpret the new results within the framework of the Particle-Vibration Coupling (PVC) model, of a d 5/2 proton coupled to a quadrupole phonon of an effective core. This approach provides a good description of the experimental data, requiring an effective 24 O* core with a phonon energy of ℏω 2 = 3.2 MeV and a B(E2) ≈ 2.7 W.u. – softer and more collective than a bare 24 O. Here, both the Nilsson deformed mean field and the PVC models appear to capture the properties of the effective core of 25 F, suggesting that the additional proton polarizes 24 O in such a way that it becomes either slightly deformed or a quadrupole vibrator.

20 ≤ A ≤ 38↗
DOE OSTI2023

Low Cost Glass-Ceramic Matrix Composite Heat Exchanger

As part of ARPA-E’s High Intensity Thermal Exchange through Materials and Manufacturing Processes (HITEMMP) program, this project sought to develop novel heat exchanger (HX) capabilities to enable efficient and power dense power generation cycles. This class of HX comes under the category of ceramic/composite materials with the higher temperature goal in the program of ≥1100 °C inlet temperature operation. The enabling capability of this effort is the use of glass-ceramic matrix composite (GCMC) material which provides the high temperature durability of a ceramic, the flaw tolerance of a composite, a significantly faster and lower cost manufacturing process than conventional matrix CMCs and very low porosity levels < 0.5%. For thin-walled HX structures and the need to minimize leakage, the low porosity differentiator is particularly important. RTRC has prior experience with this material system and in the current project advanced the component design and manufacturing methods into new territory to produce features required for effective heat exchange under high pressures. In this approach, silicon carbide fiber is fabricated into a fiber preform using various textile processes. Graphite tooling is used both during the build-up of the fiber preform (interior tooling) and after the fiber preform has been completed (exterior tooling). This tooling assembly is heated to high temperature in an environment that has been evacuated and backfilled with inert gas. A reservoir of specialty glass is present and once the desired temperature has been reached to achieve the desired glass viscosity, an actuator distributes the glass throughout the fiber preform using passageways which are part of the tooling design in a process known as glass transfer molding. After the tooling has been removed, the composite is heat treated to convert the amorphous glass to a crystalline ceramic, providing improved properties. The project was divided into three phases focusing on the following: 1) 10 kW HX design and coupon-level tube sheet fabrication, 2) 10 kW HX fabrication, 3) 50 kW HX fabrication. During Budget Period 1 (BP1), additional risks were encountered and the need for additional funds was agreed upon by ARPA-E program leadership. Due to a variety of factors, the contract modification required nominally 18 months to execute at which time the HITEMMP program was effectively concluding. Because of this and the time that would be required to perform BP2 tasks, it was decided to conclude the project at the end of BP1. During the design of the 10 kW HX, manufacturing constraints were learned and incorporated, leading to a revised configuration for the fiber preform and HX. Heat exchange and pressure drop predictions also played a role in modifying the original design concept to be a higher aspect ratio shell-and-tube HX, simplifying the manufacturing process and improving the heat exchanger performance. Good gravimetric and volumetric thermal power densities of 11.2 kW/kg and 10,200 kW/m3 for the entire HX were projected that involved thermo-structural Finite Element Analysis to determine the structural mass needed for the high operation pressures of 250 bar cold inlet and 80 bar hot inlet. Fiber preforms using textile processes were produced for multiple headered tube sheets. Additional challenges were encountered during the glass transfer molding step for which solutions were identified, but programmatics did not allow them to be implemented in BP1. While complete HX test articles were not fabricated, the benefits of this GCMC material for a variety of high temperature applications remain.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2026

B -Alkyl-borabicyclo[3.3.1]nonane Reagents Promote Closed-Shell Nickel-Catalyzed Alkylarylation Toward Encoded Cyclooctene Monomers

Access to new tailored monomers is essential to explore unprecedented polymer structures and modulate their properties. In previous work, we disclosed an iteroselective diarylation of 1,5-cyclooctadiene as an attractive platform for preparing diverse cyclooctene monomers; however, it was limited to C(sp 2 ) coupling partners. Established difunctionalization methods with C(sp 3 ) fragments rely on carbon-based radical formation, which is incompatible with 1,5-cyclooctadiene. This work describes a two-electron redox manifold for the nickel-catalyzed alkylarylation of 1,5-cyclooctadiene and discloses B -alkyl-borabicyclo[3.3.1]nonane (alkyl-9-BBN) as an effective transmetalating reagent for maintaining a polar reaction mechanism. The method provides 5,6-alkylarylated cyclooctenes suitable for ring-opening metathesis polymerization to obtain new materials. The properties of these polymers are benchmarked and fine-tuned by variation of coupling partners in the nickel catalysis. Density functional theory calculations revealed that destabilization of the pretransmetalation complex promotes the reactivity of alkyl-9-BBN in transmetalation compared to alkylboronic esters.

alkyls↗
DOE OSTI2022

Description for N = 126 Isotones 210 Po and 212 Rn with Particle-Hole Excited Nucleon-Pair Approximation and Realistic Effective Interaction

In this paper, we study yrast states of two N=126 isotones 210 Po and 212 Rn using the nucleon-pair approximation with particle–hole excitations and using a low-momentum interaction V low–k renormalized from the free CD-Bonn NN potential. An overall good agreement with experimental level structures, B(E2)s, and B(E3)s, is achieved. We also calculate the probabilities of neutron particle–hole excitations in these yrast states, with a focus on negative-parity states, which reflect the roles played by the neutron negative-parity configurations of one-particle-one-hole excitations across the N=126 shell gap and the negative-parity configurations of valence proton particles involving the 0i 13/2 orbit. The N=126 shell gap is discussed in terms of energies of neutron one-particle-one-hole excitations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

The Henkin-McGill critical temperature test for explosives revisited: An overview of historical and modern method development

Many overarching standards, regulations, or other requirements necessitate that the critical temperature (T crit ) of an energetic material be known or estimate prior to operations such as heating. However, they rarely, if ever, provide a specific method for doing so. While other methods exist to calculate T crit , such as the Frank-Kamenetskii equation, computer simulation, etc., these cannot be readily utilized for energetics that are physical mixtures (i.e. most pyrotechnics) or materials where detailed material properties required for such calculations are lacking. Here, in this study, a COTS (commercial off-the-shelf) SBAT (Simulated Bulk Auto-ignition Test) apparatus is modified to perform Henkin cookoff tests. This creates a simple, efficient, and cost-effective solution to estimate required T crit values for energetic materials. After a historical overview of the evolution of the Henkin test, several common energetic materials (PETN, RDX, etc.) for which T crit has been readily calculated, and historical data is available, were analyzed for comparison and verification purposes. This was followed by a variety of pyrotechnic mixtures and other materials to where calculation methods cannot be readily used. The modified apparatus, as well as an updated sample shell sealing method, produced results that aligned well with historical data. It also produced reasonable T crit estimates for those materials where the Frank-Kamenetskii equation cannot be applied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Binding of noble gas atoms by superhalogens

Because of their closed shells, noble gas (Ng) atoms (Ng = Ne, Ar, Kr, and Xe) seldom take part in chemical reactions, yet finding such mechanisms not only is of scientific interest but also has practical significance. Following a recent work by Mayer et al. [Proc. Natl. Acad. Sci. U. S. A. 116, 8167–8172 (2019)] on the room temperature binding of Ar to a superelectrophilic boron site embedded in a negative ion complex, B 12 (CN) 11 - , we have systematically studied the effect of cluster size and terminal ligands on the interaction of Ng by focusing on B 12 X 11 (Ng) (X = H, CN, and BO) and B 12 X 10 (Ng) 2 (X = CN and BO) whose stabilities are governed by the Wade–Mingos rule and on C 5 BX 5 (Ng) (X = H, F, and CN) and C 4 B 2 (CN) 4 (Ng) 2 whose stabilities are governed by the Huckel’s aromaticity rule. Our conclusion, based on density functional theory, is that both the cluster size and the terminal ligands matter—the interaction between the cluster and the Ng atoms becomes stronger with increasing cluster size and the electron affinity of the terminal ligands. Our studies also led to a counter-intuitive finding—removing multiple terminal ligands can enable electrophilic centers to bind multiple Ng atoms simultaneously without compromising their binding strength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Numerical modeling and parametric study of a dual purpose underground thermal battery

We report integrating thermal energy storage with building energy systems can enable flexible building electric demands at buildings to help mitigate the mismatch between electricity supply and demand. A novel building heating and cooling system that integrates a dual-source heat pump with hybrid thermal storage named dual-purpose underground thermal battery (DPUTB) has been developed for reshaping building electric demands. The proposed DPUTB integrated geothermal heat pump system is an original innovation that enables Grid-interactive Energy Efficient buildings. This paper focuses on the study of the novel DPUTB. The DPUTB works as both a thermal storage tank (an inner tank) and a ground heat exchanger (an outer tank separated from the inner tank by the insulation material). High fidelity and computationally effective models are needed to predict the performance of the novel DPUTB. This study has developed a simplified dynamic model for the DPUTB according to heat transfer and energy conservation principles and validated it by using experimental data obtained from testing a small-scale DPUTB apparatus. A parametric study was conducted to identify a design that can achieve the target thermal storage performance of load shift and energy efficiency. The parametric study results show that the inner tank shell thermal conductivity and the phase change material's melting point are the two most influencing factors on the performance of the DPUTB. One single full-size DPUTB with the identified design could provide 1-ton cooling (3.51 kW) with the supply temperature lower than 11 °C for 4 hours in summer after being fully charged in 8 hours. The inner tank filled with phase change material is for cooling thermal storage as a latent tank in the design. However, its capacity can be as high as 60 MJ as a sensible water tank for heating storage in winter. In the future study, the DPUTB model will be incorporated into the dual-source heat pump system for evaluating the overall system performance of demand side management in the long term.

25 ENERGY STORAGE↗
DOE OSTI2020

Internal Insulation and Corrosion Control of Molten Chloride Storage Tanks

The National Renewable Energy Laboratory (NREL) is leading a multi-national team to validate the potential of a chloride-based molten-salt system that uses a ternary blend of MgCl2/KCl/NaCl to provide higher temperature thermal energy storage capability, thereby allowing for higher efficiency in the power block of next-generation concentrating solar power systems. While higher thermal stability, greater operating temperature, and a more efficient power cycle are possible, the molten chlorides present several unique challenges, including the design of internal liners to prevent the corrosion and thermal stress of alloy tank shells. This work discusses issues and potential solutions related to containment of molten chloride salt, specifically the design of the molten salt storage tanks.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2020

Synthesis and Characterization of Pd-based Nanomaterials

Bimetallic nanoparticles (BNPs) consist of two different types of metals or alloys that are bonded together. Unique properties such as optical, electronic, thermal, and catalytic effects differ for each type of BNP. Important BNPs range from Au-Pd, Ag- Pt, Au-Pt, and Ag-Ni. Pd bimetallic nanoparticles are of interest due to their many applications such as catalysis and sensing. Bimetallic catalysts have increase reaction rates and have improved catalyst stability through the geometry and ligand distribution. Pd nanoparticles are considered to be a strong catalyst due to their high activity at low temperatures and high tolerance to moisture. The catalytic properties of bimetallic nanoparticles depend on the structural properties such as size and shape. Core-shell, hollow structure, and multi-shell alloy are three possible structures nanoparticles can form as bimetallic catalysts. BNPs can be synthesized through different methods to control the size, shape, and structure. To obtain different morphologies, a variety of methods can be performed. Different methods can range from the usage of the glancing angle deposition (GLAD) to the galvanic replacement reaction, but the methods all depend on the properties of the metals. The galvanic displacement reaction was the method used to obtain Pd-based nanoparticles. This reaction is best know for obtaining hollow shaped NPs. To determine what redox process was preformed, the activity series of metals was used. From the activity series of metals, silver (Ag) was selected to preform Pd-based nanoparticles. Objectives: Synthesize Ag nanoparticles and Ag-Pd nanoparticles to understand the morphology. Characterize the synthesized nanoparticles using scanning electron microscopy (SEM), phase analysis light scattering (PALS), dynamic light scattering (DLS), energy dispersive X-ray spectroscopy (EDS), and UV-Vis spectroscopy. Results: In the UV-Vis spectrum, the Ag-Pd bimetallic NP's plasmon band decreased as the volume of palladium increased. The surface charge increases as the concentration of palladium increases. The Pd{sup 2+} ions interact with the sodium citrate surface, and decrease the negative charge. Conclusion: Ag-Pd nanoparticles were successfully created and stabilized with sodium citrate. The addition of Pd decreased the prominent plasmon band of the Ag nanoparticles. The SEM analysis showed that Ag nanoparticles had a well-defined structure, while the Ag-Pd nanoparticles showed hollow and rough structure. The EDX analysis confirmed the presence of silver and palladium. This material can be used in many industrial and research fields such as organic synthesis, fuel cells, and environmental sensing and remediation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Development of an ab initio learned model of electron deposition range in deuterium-tritium plasmas through time-dependent density functional theory calculations and machine learning

Accurate hydrodynamic modeling for laser-direct-drive (LDD) inertial-confinement-fusion (ICF) relies on precise calculations of the electron thermal conduction in all target materials. The nonlocal stopping range of electrons in ICF plasmas directly influences thermal conduction; yet, no first principles model exists for the electron mean free path in the conduction-zone regime. This work utilized time-dependent stochastic density-functional theory (TD-sDFT) to calculate the electron stopping power in deuterium-tritium (DT) plasmas at (ρ, T) conditions relevant to the conduction zone and the compressed shell in ICF. Using a combination of our TD-sDFT data and already established analytical models, we developed and trained an artificial neural network to create a global model for the nonlocal electron deposition range, λ E . We compared our machine-learning (ML) based model for λ E to the currently-used modified-Lee-More model in LDD radiation-hydrodynamic codes, such as lilac, and saw an overall decrease in the deposition range. To understand the effects of λ E on LDD ICF implosion dynamics, we implemented the ML-based model into lilac; specifically, we looked at designs consistent with a current experiment on the OMEGA laser and for a newly designed LDD-ICF target for the future OMEGA-Next facility. In both cases, we saw an overall drop in predicted ablation pressure, peak areal density, and neutron yield due to the reduced thermal conduction (smaller λ E ) in DT plasmas. Comparisons with the experiment on OMEGA are also made.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗