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Choice of Tuning Parameters on 3D IC Engine Simulations Using G-Equation

3D CFD spark-ignition IC engine simulations are extremely complex for the regular user. Truly-predictive CFD simulations for the turbulent flame combustion that solve fully coupled transport/chemistry equations may require large computational capabilities unavailable to regular CFD users. A solution is to use a simpler phenomenological model such as the G-equation that decouples transport/chemistry result. Such simulation can still provide acceptable and faster results at the expense of predictive capabilities. While the G-equation is well understood within the experienced modeling community, the goal of this paper is to document some of them for a novice or less experienced CFD user who may not be aware that phenomenological models of turbulent flame combustion usually require heavy tuning and calibration from the user to mimic experimental observations. This study used ANSYS® Forte, Version 17.2, and the built-in G-equation model, to investigate two tuning constants that influence flame propagation in 3D CFD SI engine simulations: the stretch factor coefficient, Cms and the flame development coefficient, Cm2. After identifying several Cm2-Cms pairs that matched experimental data at one operating conditions, simulation results showed that engine models that used different Cm2-Cms sets predicted similar combustion performance, when the spark timing, engine load, and engine speed were changed from the operating condition used to validate the CFD simulation. A dramatic shift was observed when engine speed was doubled, which suggested that the flame stretch coefficient, Cms, had a much larger influence at higher engine speeds compared to the flame development coefficient, Cm2. Therefore, the Cm2-Cms sets that predicted a higher turbulent flame under higher in-cylinder pressure and temperature increased the peak pressure and efficiency. This suggest that the choice of the Cm2-Cms will affect the G-equation-based simulation accuracy when engine speed increases from the one used to validate the model. As a result, for the less-experienced CFD user and in the absence of enough experimental data that would help retune the tuning parameters at various operating conditions, the purpose of a good G-equation-based 3D engine simulation is to guide and/or complement experimental investigations, not the other way around. Only a truly-predictive simulation that fully couples the turbulence/chemistry equations can help reduce the amount of experimental work.

42 ENGINEERING↗

First demonstration of radiative power exhaust with impurity seeding in the island divertor at Wendelstein 7-X

Radiative power exhaust by impurity seeding was demonstrated for the first time in island divertor configurations at the stellarator Wendelstein 7-X. Feasibility of stable plasma operation was shown during seeding with both neon (Ne) and nitrogen (N 2 ). High radiative power losses (≥ 80%) were found to reduce the divertor heat loads globally by 2/3 with both seeding gases injected at a single toroidal location into one of five magnetic islands. Heat flux detachment was achieved for the price of a loss of (≥ -15%) in the stored energy. Ne seeding allows for sustained enhancement of edge radiation with a very slow decay of line emission of several tens of seconds after the end of the injection indicating a high recycling of this noble gas at the carbon main plasma facing components. In N 2 seeded discharges it is shown that a response of line emission and plasma parameters is in correlation to the puff duration which indicates a higher level of absorption of this seeding gas in the wall. Continuous N 2 seeding results in global cooling of the scrape-off layer (SOL) and decay of radiation over several seconds after the injection. Damping of counter-streaming SOL flows, and divertor particle fluxes induced by Ne and N 2 seeding have been measured and provide evidence for a reduction of the convective part of the divertor heat fluxes. Losses in density in response to seeding can be compensated by feedback controlled divertor fueling. The controlled reduction of heat fluxes within this complex 3D edge island geometry is a very promising finding concerning detachment control in a future all-metal divertor.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

TUNABLE EOS MATERIAL MODEL IN THE SIMULATION OF PULSED MERCURY SPALLATION TARGET VESSEL

A pulsed spallation target is subjected to very short (~1μs) but intense loads from repeated proton pulses. The effect of this pulsed loading on the stainless-steel target module which contains the flowing mercury target material is difficult to predict. Different simulation approaches and material models for the mercury have been tried. To date the best match of simulation results to experimental data was obtained with an equation of state (EOS) material model with a specified tensile cutoff pressure which simulates the cavitation threshold [1]. The inclusion of a threshold to represent cavitation was a key parameter in achieving successful predictions of stress waves triggered by the high energy pulse striking the mercury and vessel. However, recent measurements of strain responses of target modules show that significant differences between the measured strain and the strain simulated with EOS mercury model still exist. These differences grow to irreconcilable values when non-condensable helium gas is intentionally injected into the flowing mercury. A novel EOS mercury model embedded into ABAQUS VUMAT has been investigated in this project, which introduces the concept of proportional, integral, and derivative (PID) control into the mercury EOS model. By tuning the new introduced PID parameters (Kp, Ki and Kd), we replace the specified cutoff pressure with an adjustable spring-damper-like material behavior which may better match the complex dynamics of the mercury and helium mixture. This approach is expected to reduce the gap between measured and simulated vessel strain responses. Primitive application of this tunable EOS mercury model on prototypic shape experimental target has shown its capability and potentiality of improving mechanical behaviors of EOS mercury with cutoff pressure considered.

Lin, Lianshan↗

2025 Status Report - Fiberboard Properties and Degradation Rates for Storage of 9975 Shipping Package in KAC

Fiberboard assemblies in the 9975 package were identified as susceptible to aging and degradation under long-term storage conditions. Thermal, mechanical, and physical properties have been measured on fiberboard samples aging for up to 20 years at accelerated conditions. The aging environments include elevated temperature up to 250 ºF (the maximum allowed service temperature for fiberboard in 9975 packages) and elevated humidity. Accelerated aging results have been analyzed and used to build aging models. Correlations relating several properties (thermal conductivity, energy absorption, weight, dimensions, and density) to their rate of change in potential storage environments have been developed. Combined with an estimate of the actual conditions the fiberboard experiences in K-Area Complex (KAC), these models allow development of service life predictions. KAC completed calculations that supported extending the service life of 9975 packages with 3013 containers in storage from 20 years to 40 years. These calculations addressed the potential for degraded fiberboard properties following 40 years in storage using degradation models. The 40 year storage evaluations assumed the degradation rates from initial values for density, dimensional, and thermal properties were 0.5% per year (i.e., after 40 years, the density, dimensional, and thermal properties of fiberboard were 80% of its initial values). The updated degradation models developed in this report were compared to the assumptions in those calculations, and the current results for fiberboard dimensions, density, axial and radial thermal conductivities, and energy absorption remain consistent with those calculations. Additional data will continue to be collected to permit future refinements to the models and assumptions. Some of the predicted degradation rates presented in this report are purposely high to accelerate aging. These rates relate to environments that do not exist within KAC or are postulated to only occur as upset conditions that are unlikely to persist for an extended period. For a typical package stored in KAC with approximately 10-12 watts internal heat load or less, and ambient temperatures below 90 ºF, the fiberboard assemblies experience storage conditions less severe than any of the aging environments (i.e., under 125 °F) used in this study. Fiberboard in conforming packages with lower internal heat loads should experience little or no degradation and is expected to provide a service life beyond the currently approved 40 year storage period. Packages with higher internal heat loads may not continue to perform their required safety functions beyond 40 years. Ultimately, service life will be determined by the cumulative effect of degradation from all the conditions these packages might encounter. The results and model predictions presented in this report are applicable to 9975 packages with cane or softwood fiberboard overpack assemblies. These degradation models do not address the effects of nonconforming conditions such as the presence of excess moisture and mold or beetle infestations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A methodology for understanding the impacts of large-scale penetration of micro-combined heat and power

Co-generation at small kW-e scale has been stimulated in recent years by governments and energy regulators as one way to increasing energy efficiency and reducing CO 2 emissions. If a widespread adoption should be realized, their effects from a system's point of view are crucial to understand the contributions of this technology. Based on a methodology that uses long-term capacity planning expansion, this paper explores some of the implications for an electric power system of having a large number of micro-CHPs. Results show that fuel cells-based micro-CHPs have the best and most consistent performance for different residential demands from the customer and system's perspectives. As the penetration increases at important levels, gas-based technologies - particularly combined cycle units - are displaced in capacity and production, which impacts the operation of the electric system during summer peak hours. Other results suggest that the tariff design impacts the economic efficiency of the system and the operation of micro-CHPs under a price-based strategy. Finally, policies aimed at micro-CHPs should consider the suitability of the technology (in size and heat-to-power ratio) to meet individual demands, the operational complexities of a large penetration, and the adequacy of the economic signals to incentivize an efficient and sustainable operation. Highlights: Capacity displacements and daily operation of an electric power system are explored; Benefits depend on energy mix, prices, and micro-CHP technology and control scheme; Benefits are observed mostly in winter when micro-CHP heat and power are fully used; Micro-CHPs mostly displace installed capacity from natural gas combined cycle units; and, Tariff design impacts economic efficiency of the system and operation of micro-CHPs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Insights into Chemical Prelithiation of SiO x /Graphite Composite Anodes through Scanning Electron Microscope Imaging

Initial Coulombic efficiency (ICE) is critical for determining the energy density of lithium-ion batteries (LIBs) used for practical applications; however, it is typically disregarded in anode research. We used SiO x and graphite composite anodes for commercial lithium-ion batteries in our preliminary research to achieve a balance between ICE, capacity, and cycling life. ICE reached 88%; however, it needs further improvement for commercial applications. Prelithiation is a process that involves the introduction of extra lithium ions into LIBs during their manufacturing to enhance the overall performance of the LIBs. We applied a chemical prelithiation method on our SiO x /graphite composite anodes, which comprised 95 wt % of the active material mass loading on the electrode. The ICE increased from 88% to 98% using an aryllithium reagent impregnation method within 2 min of prelithiation. The anode’s specific capacity density, rate, and cycle performance also significantly improved. Scanning electron microscopy (SEM) imaging enhanced by an osmium tetroxide staining method indicated that the P-anode contained a stable solid electrolyte interface (SEI) layer after the prelithiation process and cycling electrochemical test. The P-anode’s stable charge differential peak over 500 cycles also showcases a robust artificial SEI layer that was generated by the prelithiation procedure. Here, this prelithiation process has significant potential for adoption in the LIB industry’s current electrode manufacturing process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhancement of CO 2 Uptake and Selectivity in a Metal–Organic Framework by the Incorporation of Thiophene Functionality

The complex [Zn 2 (tdc) 2 dabco] (H 2 tdc = thiophene-2,5-dicarboxylic acid; dabco = 1,4-diazabicyclooctane) shows a remarkable increase in carbon dioxide (CO 2 ) uptake and CO 2 /dinitrogen (N 2 ) selectivity compared to the nonthiophene analogue [Zn 2 (bdc) 2 dabco] (H 2 bdc = benzene-1,4-dicarboxylic acid; terephthalic acid). CO 2 adsorption at 1 bar for [Zn 2 (tdc) 2 dabco] is 67.4 cm 3 ·g -1 (13.2 wt %) at 298 K and 153 cm 3 ·g -1 (30.0 wt %) at 273 K. For [Zn 2 (bdc) 2 dabco], the equivalent values are 46 cm 3 ·g -1 (9.0 wt %) and 122 cm 3 ·g -1 (23.9 wt %), respectively. The isosteric heat of adsorption for CO 2 in [Zn 2 (tdc) 2 dabco] at zero coverage is low (23.65 kJ·mol -1 ), ensuring facile regeneration of the porous material. Enhancement by the thiophene group on the separation of CO 2 /N 2 gas mixtures has been confirmed by both ideal adsorbate solution theory calculations and dynamic breakthrough experiments. The preferred binding sites of adsorbed CO 2 in [Zn 2 (tdc) 2 dabco] have been unambiguously determined by in situ single-crystal diffraction studies on CO 2 -loaded [Zn 2 (tdc) 2 dabco], coupled with quantum-chemical calculations. These studies unveil the role of the thiophene moieties in the specific CO 2 binding via an induced dipole interaction between CO 2 and the sulfur center, confirming that an enhanced CO 2 capacity in [Zn 2 (tdc) 2 dabco] is achieved without the presence of open metal sites. The experimental data and theoretical insight suggest a viable strategy for improvement of the adsorption properties of already known materials through the incorporation of sulfur-based heterocycles within their porous structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reactors as a Source of Antineutrinos: Effects of Fuel Loading and Burnup for Mixed-Oxide Fuels

In a conventional light-water reactor loaded with a range of uranium and plutonium-based fuel mixtures, the variation in antineutrino production over the cycle reflects both the initial core fissile inventory and its evolution. Under an assumption of constant thermal power, we calculate here the rate at which antineutrinos are emitted from variously fueled cores, and the evolution of that rate as measured by a representative ton-scale antineutrino detector. We find that antineutrino flux decreases with burnup for low-enriched uranium cores, increases for full mixed-oxide (MOX) cores, and does not appreciably change for cores with a MOX fraction of approximately 75%. Accounting for uncertainties in the fission yields in the emitted antineutrino spectra and the detector response function, we show that the difference in corewide MOX fractions at least as small as 8% can be distinguished using a hypothesis test. The test compares the evolution of the antineutrino rate relative to an initial value over part or all of the cycle. The use of relative rates reduces the sensitivity of the test to an independent thermal power measurement, making the result more robust against possible countermeasures. This rate-only approach also offers the potential advantage of reducing the cost and complexity of the antineutrino detectors used to verify the diversion, compared to methods that depend on the use of the antineutrino spectrum. A possible application is the verification of the disposition of surplus plutonium in nuclear reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Enabling Coal Technology with Carbon Capture for Future Markets with Flameless Pressurized Oxy-Combustion (FPO)

Future markets for power are expected to require more load following power plants, which reduces output during the night and early morning. This is when the demand for electricity is the lowest, so plants must respond rapidly at any time to peak loads resulting from the variable output of wind and solar power. A coal power plant based on Flameless Pressurized Oxy-combustion (FPO) can go from 5% to 100% of capacity rate in less than 30 minutes in response to fluctuating demand, operating at capacity when power prices are highest. FPO is a proven oxy-combustion technology that was developed to recover energy from low ranking coal, other brown fuels and wastes. ITEA began developing FPO in 2003 on a 5-MWth pilot in Gioia del Colle, Italy, to destroy hazardous industrial waste and as such, design objectives were very high combustion efficiencies and capture of metals in the fuel in the vitreous slag. The technology was subsequently deployed in 2009 at the 15-MWth scale at the Jurong Island petrochemical cluster in Singapore for waste incineration. FPO is an oxy-combustion process whereby oxygen is separated from the air, and it is used in combustion with recirculated flue gas to maintain combustion temperatures at acceptable levels. The resultant flue gas is primarily CO 2 and water, which allows for a relatively simple and cheap CO 2 capture process. This is in contrast to air-combustion systems which require a complex and costly post-combustion capture (PCC) process. Coal is fed to the combustor slurried in water, and the combustor operates at elevated pressure (approximately 12 bar) which improves the overall efficiency and reduces the size and cost of the combustor. Notably, the FPO cycle maintains high efficiency by recovering most of the heat of vaporisation of the contained water. The combustor is designed to coalesce the molten ash particles so that they settle to the chamber walls and drain to the outlet, significantly reducing the particulate content in the exhaust gas and allowing the use of coals with up to 40% alkaline ash content. FPO is a low-emission technology: zero thermal NOx minimises overall NOx; any organic nitrogen is converted to elemental nitrogen (N2). Total organic content (TOC) at combustor exit is hundreds of times lower than for traditional combustion processes, with dioxin and furans close to zero. Work commenced on a DOE funded pilot demonstration project in October 2016 to provide the design for a 50-MWth FPO pilot plant that can fire a wide range of high-to-low rank coals. The project will investigate updating and improving the cycle for power generation with CO 2 capture by incorporating a turbo-expander with a principal steam power island that utilizes a heat recovery steam generator, increasing the overall efficiency of the cycle. A cost study is also performed on the updated FPO design as part of the project. The FPO pilot plant built based on the design will then be demonstrated over a 3-year test program to generate data for the design of a commercial-scale 500 MWth firing module commercial power plant with integral carbon capture and sequestration (CCS), which could start construction in 2025. A discussion of the levelized cost of electricity (LCOE) of various cases are presented, including a comparison of established supercritical with PCC (SCPC) technologies with FPO fitted with CO 2 compression and liquefaction, and FPO ready for carbon capture and sequestration (CCS-ready). This would enable CO 2 capture for use in enhanced oil recovery (EOR) or sequestration when market conditions make it attractive to do so. In addition, a comparison of LCOE of FPO and conventional processes for firing low-ranking coals with high water and ash content will be provided.

01 COAL, LIGNITE, AND PEAT↗

Robust Distributed State Estimator for Interconnected Transmission and Distribution Networks (Final Report RPPR-1)

This project’s objective is to develop a combined transmission and distribution state estimator which accounts for very large system size and model complexity (by way of distributing the computations) and large number of solar PV units connected to the distribution system on multiple feeders. The project not only provides a robust formulation and solution to this problem but also tests the solution by implementing it on a well-established large utility system. It introduces several improvements with respect to the state of the art in existing state estimation software: (a) The developed state estimator (SE) allows robust and accurate monitoring of bidirectional flows in distribution systems which result due to the distributed energy sources which are not observable and thus not incorporated in generation dispatch; (b) Large utility systems with tens of thousands of transmission buses and hundreds of thousands of distribution nodes are difficult to model as a single integrated system. This shortcoming is addressed by developing a “scalable distributed computational framework” which allows splitting the ultra large system models into several small subsystems and coordinating their solution by a robust and practical state estimation formulation; (c) Measurement errors irrespective of their locations are detected and removed by the developed state estimator. Historically, transmission and distribution systems were analyzed and operated as two independent systems. Given the non-transposed short feeder sections, unevenly loaded phases, strictly radial configuration and unidirectional power flows in the absence of remote generation, distribution system analysis was customized to account for these characteristics. However, some of these assumptions are no longer valid (non-radial configuration, bidirectional power flows) and thus distribution system analysis should be revisited. Furthermore, in the past, the interaction between the transmission and distribution systems was quite passive, where distribution substations were modeled as lumped loads in the transmission system model. With substantial generation injected by renewable generation located in the distribution systems, such modeling will no longer be accurate. The developed state estimator facilitates proper monitoring of the interactions between the transmission and distribution systems and enables smart dispatch of these units which are made observable by the state estimator.

24 POWER TRANSMISSION AND DISTRIBUTION↗

The role of local strains from prior cold work on stress corrosion cracking of α-brass in Mattsson's solution

The dynamic strain rate ahead of a crack tip formed during stress corrosion cracking (SCC) under a static load is assumed to arise from the crack propagation. The strain surrounding the crack tip would be redistributed as the crack grows, thereby having the effect of dynamic strain. Recently, several studies have shown cold work to cause accelerated crack growth rates during SCC, and the slip-dissolution mechanism has been widely applied to account for this via a supposedly increased crack-tip strain rate in cold worked material. While these interpretations consider cold work as a homogeneous effect, dislocations are generated inhomogeneously within the microstructure during cold work. The presence of grain boundaries results in dislocation pile-ups that cause local strain concentrations. The local strains generated from cold working α-brass by tensile elongation were characterized using electron backscatter diffraction (EBSD). The role of these local strains in SCC was studied by measuring the strain distributions from the same regions of the sample before cold work, after cold work, and after SCC. Though, the cracks did not always initiate or propagate along boundaries with pre-existing local strains from the applied cold work, the local strains surrounding the cracked boundaries had contributions from both the crack propagation and the prior cold work. - Highlights: • Plastic strain localization has a complex relationship with SCC susceptibility. • Surface relief created by cold work creates its own granular strain localization. • Cold work promotes crack growth but several other factors are involved.

36 MATERIALS SCIENCE↗

Engineering a modular 44 Ti/ 44 Sc generator: eluate evaluation in preclinical models and estimation of human radiation dosimetry

Background: 44 Sc/ 47 Sc is an attractive theranostic pair for targeted in vivo positron emission tomographic (PET) imaging and beta-particle treatment of cancer. The 44 Ti/ 44 Sc generator allows daily onsite production of this diagnostic isotope, which may provide an attractive alternative for PET facilities that lack in-house irradiation capabilities. Early animal and patient studies have demonstrated the utility of 44 Sc. In our current study, we built and evaluated a novel clinical-scale 44 Ti/ 44 Sc generator, explored the pharmacokinetic profiles of 44 ScCl 3 , [ 44 Sc]-citrate and [ 44 Sc]-NODAGA (1,4,7-triazacyclononane,1-glutaric acid-4,7-acetic acid) in naïve mice, and estimated the radiation burden of 44 ScCl 3 in humans. Methods: 44 Ti/ 44 Sc (101.2 MBq) in 6 M HCl solution was utilized to assemble a modular ZR resin containing generator. After assembly, 44 Sc was eluted with 0.05 M HCl for further PET imaging and biodistribution studies in female Swiss Webster mice. Based on the biodistribution data, absorbed doses of 44 / 47 ScCl 3 in human adults were calculated for 18 organs and tissues using the IDAC-Dose software. Results: 44 Ti in 6 M HCl was loaded onto the organic resin generator with a yield of 99.97%. After loading and initial stabilization, 44 ScCl 3 was eluted with 0.05 M HCl in typical yields of 82.9 ± 5.3% (N = 16), which was normalized to the estimated generator capacity. Estimated generator capacity was computed based on elution time interval and the total amount of 44 Ti loaded on the generator. Run in forward and reverse directions, the 44 Sc/ 44 Ti ratio from a primary column was significantly improved from 1038 ± 440 to 3557 ± 680 (Bq/Bq) when a secondary, replaceable, ZR resin cartridge was employed at the flow outlet. In vivo imaging and ex vivo distribution studies of the reversible modular generator for 44 ScCl 3 , [ 44 Sc]-citrate and [ 44 Sc]-NODAGA show that free 44 Sc remained in the circulation significantly longer than the chelated 44 Sc. The dose estimation of 44 ScCl 3 reveals that the radiation burden is 0.146 mSv/MBq for a 70 kg adult male and 0.179 mSv/MBq for a 57 kg adult female. Liver, spleen and heart wall will receive the highest absorbed dose: 0.524, 0.502, and 0.303 mGy/MBq, respectively, for the adult male. Conclusions: A clinical-scale 44 Ti/ 44 Sc generator system with a modular design was developed to supply 44 ScCl 3 in 0.05 M HCl, which is suitable for further radiolabeling and in vivo use. Our data demonstrated that free 44 ScCl 3 remained in the circulation for extended periods, which resulted in approximately 10 times greater radiation burden than stably chelated 44 Sc. Stable 44 Sc/ 47 Sc-complexation will be more favorable for in vivo use and for clinical utility.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Rational Design and Synthesis of Hierarchical Porous Mn–N–C Nanoparticles with Atomically Dispersed MnNx Moieties for Highly Efficient Oxygen Reduction Reaction

Developing transition-metal excluding iron and cobalt–nitrogen–carbon (M–N–C) electrocatalysts for the oxygen reduction reaction (ORR) is critical to substantially promote the development of precious-metal-free metal–air batteries and fuel cells. In the work, Mn–N–C nanoparticles with atomically dispersed MnNx moieties were synthesized by pyrolyzing Mn-ion–dual-pyridine coordinated complex, which was obtained via a simple condensation reaction between 2,6-diamino-pyridine and 2,6-diacetyl-pyridine with MnCl 2 as the Mn source. The precursor features with a characteristic structure of dual-pyridine ligand, which possesses a strong coordinating capability for Mn 2+ , facilitating the formation of highly dispersed nitrogen-coordinated Mn sites (MnN x ). Attributed to the highly active atomic MnN x sites, hierarchical pore structure, and high surface area of the Mn–N–C derived from the new precursor, it exhibits outstanding ORR performance in 0.1 M KOH with an almost direct four-electron reaction path and high selectivity of O 2 into H 2 O (low H2O2 production <3.5%). The half-wave potential of Mn–N–C is 0.88 V vs RHE, which is 20 mV higher than that of commercial Pt/C catalyst and reaches to the level of Fe–N–C catalyst obtained by the same method. Meanwhile, the feasibility of Mn–N–C for practical application is validated by its higher-performance power output in Zn–air battery with a maximum power density of 132 mW cm –2 compared to that of Pt/C (121 mW cm –2 ) using the same catalyst loading of 1.0 mg cm –2 . This work develops a convenient route to develop non-Fe or Co–N–C electrocatalyst for the ORR.

36 MATERIALS SCIENCE↗

Structured light approaches in laser-based plasma diagnostics

There is a growing demand for plasma diagnostics suitable for industrial plasma reactors employed in semiconductor nanofabrication, especially relevant to microelectronics and quantum information systems. Such reactors typically have limited optical access and pose considerable diagnostic challenges, including intense background emission, significant thermal loads, and contamination of optical viewports. In this study, we outline research into structured light techniques (laser beams with tailored spatial, temporal, or phase characteristics) that effectively overcome these issues using laser-induced fluorescence (LIF) as an example. The focus of presented diagnostics is on ion kinetics analysis within an industrial plasma source, although this approach is broadly applicable to other plasma systems and diagnostic contexts. We present a confocal LIF implementation using an axicon-generated Bessel annular beam, achieving spatial resolutions of approximately 5 mm at a focal distance of 300 mm, with potential improvements to about 1 mm. This approach matches conventional orthogonal LIF performance but requires only one optical port. Wavelength-modulation LIF employs nonlinear laser wavelength tuning to measure spectral line derivatives, suppressing background emission and enhancing details of spectral line shape. Additionally, we present new results on applying vortex beams (laser beams carrying orbital angular momentum, OAM) for LIF measurements in an industrial plasma device. These measurements enable simultaneous axial and tangential velocity determination using a single laser beam and have been tested with xenon ion transition. Initial quantification of results was performed. Together, these structured-light approaches provide robust, background-resilient, multi-dimensional diagnostics for complex plasma environments.

Romadanov, Ivan [Princeton Plasma Physics Laborato↗

Development of a 6DOF robotic motion phantom for radiation therapy

Purpose: The use of medical technology capable of tracking patient motion or positioning patients along 6 degree-of-freedom (6DOF) has steadily increased in the field of radiation therapy. However, due to the complex nature of tracking and performing 6DOF motion, it is critical that such technology is properly verified to be operating within specifications in order to ensure patient safety. In this study, a robotic motion phantom is presented that can be programmed to perform highly accurate motion along any X (left–right), Y (superior–inferior), Z (anterior–posterior), pitch (around X), roll (around Y), and yaw (around Z) axes. In addition, highly synchronized motion along all axes can be performed in order to simulate the dynamic motion of a tumor in 6D. The accuracy and reproducibility of this 6D motion were characterized. Methods: An in-house designed and built 6D robotic motion phantom was constructed following the Stewart–Gough parallel kinematics platform archetype. The device was controlled using an inverse kinematics formulation, and precise movements in all 6 degrees-of-freedom (X, Y, Z, pitch, roll, and yaw) were performed, both simultaneously and separately for each degree-of-freedom. Additionally, previously recorded 6D cranial and prostate motions were effectively executed. The robotic phantom movements were verified using a 15 fps 6D infrared marker tracking system and the measured trajectories were compared quantitatively to the intended input trajectories. The workspace, maximum 6D velocity, backlash, and weight load capabilities of the system were also established. Results: Evaluation of the 6D platform demonstrated translational root mean square error (RMSE) values of 0.14, 0.22, and 0.08 mm over 20 mm in X and Y and 10 mm in Z, respectively, and rotational RMSE values of 0.16°, 0.06°, and 0.08° over 10° of pitch, roll, and yaw, respectively. The robotic stage also effectively performed controlled 6D motions, as well as reproduced cranial trajectories over 15 min, with a maximal RMSE of 0.04 mm translationally and 0.04° rotationally, and a prostate trajectory over 2 min, with a maximal RMSE of 0.06 mm translationally and 0.04° rotationally. Conclusions: This 6D robotic phantom has proven to be accurate under clinical standards and capable of reproducing tumor motion in 6D. Such functionality makes the robotic phantom usable for either quality assurance or research purposes.

60 APPLIED LIFE SCIENCES↗

Stochastic microstructural analysis of ceramic matrix composites using a high-fidelity multiscale framework

This paper presents a high-fidelity multiscale framework to simulate the mechanical behavior of ceramic matrix composites (CMCs), accounting for the complex micromorphology captured using detailed material characterization. First, high-resolution micrographs are obtained for the specific carbon fiber silicon-carbide-nitride matrix (C/SiNC) CMC to characterize the variability of the architectural features and manufacturing-induced defects at the microscale. An image processing algorithm is then used to precisely estimate the size and distribution of all subscale features and defects from the micrographs. The information is then used to generate a three-dimensional stochastic representative volume element (SRVE) to reconstruct microscale constituents accounting for the variability. As a result, the generated SRVEs are simulated using the high-fidelity generalized method of cells (HFGMC) micromechanics theory to investigate the effects of defects on the elastic properties of C/SiNC CMCs.

Ceramic Matrix Composites↗

Ion Exchange Column Thermal Modeling: Prevention of Process Effluent Boiling - 18577

The Savannah River Site treats and disposes of legacy high-level waste, which resulted from 60 years of nuclear material production, medical research, and other nuclear related work. Complex mixtures of soluble and insoluble solids occupy tanks of which the South Carolina Department of Health and Environmental Control recognizes as the single largest environmental risk state-wide. The risk is reduced through removal, treatment, and solidification of decontaminated salt waste. Presently, SRS decontaminates the soluble salt component of the waste, a solution containing actinides and cesium, via implementation of the Actinide Removal Process and the Modular Caustic Side Solvent- Extraction Unit. Caustic solvent extraction is set to increase in scale by late 2018, with startup of the newly constructed Salt Waste Processing Facility. In conjunction with Salt Waste Processing Facility startup, Savannah River Remediation has been tasked by the Department of Energy to demonstrate modular ion exchange technology. The Tank Closure Cesium Removal project aims to demonstrate the feasibility of modular ion exchange processes for future Department of Energy applications. The Tank Closure Cesium Removal system is scheduled to begin operation in mid-2018. Dissolved salt solution, or influent, will be fed through a filter and ion exchange columns in lead-lag configuration, producing effluent. The effluent is fed to a separate high-level waste tank, for future disposition at Salt-stone Production Facility. Once the demonstration project is complete, the loaded ion exchange columns will be purged, dried, and placed in interim safe storage, awaiting final disposition. The ion exchange media selected for the Tank Closure Cesium Removal system is Honeywell UOP IONSIV{sup C} R-9120. The media is a prime candidate for separation of cesium from radioactive high-level waste. UOP R-9120{sup C} is inorganic and has high capacity, selectivity, and affinity for cesium. During operation, influent is fed to the ion exchange columns, contacting UOP R-9210{sup C} packed within the media vessel. Contact initiates loading of isotopes, and given ample time the solid phase (ion exchange media) and solution achieve thermodynamic equilibrium. UOP R-9120{sup C} is a prime candidate for separation of cesium and dissolved fission products. Although the properties of UOP R-9120{sup C} are favorable for separation, the same properties lead to accumulation of a heat source in the ion exchange bed. Cesium-137 and its daughter product, barium-137 m, generate a clear majority of heat (i.e. ∼ 94%). During operation salt solution flows through each column and transports heat from the ion exchange bed. Once operation is terminated, the effluent contained within the porous bed volume becomes essentially static. In the absence of engineering controls, the heat generated may boil the effluent. Rapid vaporization of aqueous salt solution would lead to bed over pressurization. Over pressurization and an associated release of high-level waste would result in adverse impacts to human health and the environment. This paper focuses on modeling the heat transfer associated with the Tank Closure Cesium Removal system ion exchange column. The model evaluates the maximum heat generation and the associated radionuclide loadings that prevent boiling within of the media vessel, under no flow conditions. A safety significant control, maintaining loadings less than the established loading limit ensures associated impacts to human health and the environment are prevented. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Extraction of lithium from battery recycling wastewater using synergistic D2EHPA and TBP

The recycling of spent lithium-ion batteries (LIBs) poses significant challenges, including the generation of large volumes of chemically complex wastewater. The composition of this wastewater is influenced by both the intrinsic chemistry of the batteries and the specific recycling processes employed. Notably, this wastewater contains economically valuable components, such as lithium, which can be recovered. Here, in this study, a solvent extraction (SX) process was investigated as a method to recover lithium from battery recycling wastewater, especially from anode-washing stage. Initially, various commercial extractants were evaluated, including di(2-ethylhexyl)phosphoric acid (D2EHPA), mono-2-ethylhexyl (2-ethylhexyl)phosphonate (PC88A), bis(2,4,4-trimethylpentyl)phosphinic acid (Cyanex 272), 2-hydroxy-5-nonylacetophenone oxime (LIX 84-I), tri-butyl phosphate (TBP), and their combinations. Among these, D2EHPA + TBP demonstrated a synergism to advance and maximize the lithium extraction. Subsequently, the effects of key parameters, including D2EHPA concentration, TBP concentration, contact time, initial pH, and aqueous-to-organic (A/O) phase ratio, were systematically investigated and optimized. A two-stage SX approach was employed to enhance lithium recovery. Under the optimized conditions of 30.0 vol% D2EHPA, 10.0 vol% TBP, 10 min of contact time, and a 1:1 A/O phase ratio, a lithium extraction efficiency of more than 88% in a two-stage solvent extraction was achieved. Lithium was subsequently stripped from the loaded organic solution using sulfuric acid (H 2 SO 4 ). Using 2.0 M H 2 SO 4 , lithium stripping was achieved after two counter-current stripping stages at an organic-to-aqueous (O/A) phase ratio of 6:1. This stripping process enriched the lithium concentration by a factor of four compared to the original lithium concentration in the anode-washing wastewater. The recyclability of the synergistic D2EHPA + TBP system was also evaluated over four extraction-stripping cycles. The results demonstrated that the system maintained high extraction and stripping efficiencies.

D2EHPA↗