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DOE OSTI2012

Kinetics of Ni Sorption in Soils: Roles of Soil Organic Matter and Ni Precipitation

The kinetics of Ni sorption to two Delaware agricultural soils were studied to quantitatively assess the relative importance of Ni adsorption on soil organic matter (SOM) and the formation of Ni layered double hydroxide (Ni-LDH) precipitates using both experimental studies and kinetic modeling. Batch sorption kinetic experiments were conducted with both soils at pH 6.0, 7.0, and 7.5 from 24 h up to 1 month. Time-resolved Ni speciation in soils was determined by X-ray absorption spectroscopy (XAS) during the kinetic experiments. A kinetics model was developed to describe Ni kinetic reactions under various reaction conditions and time scales, which integrated Ni adsorption on SOM with Ni-LDH precipitation in soils. The soil Ni speciation (adsorbed phases and Ni-LDH) calculated using the kinetics model was consistent with that obtained through XAS analysis during the sorption processes. Under our experimental conditions, both modeling and XAS results demonstrated that Ni adsorption on SOM was dominant in the short term and the formation of Ni-LDH precipitates accounted for the long-term Ni sequestration in soils, and, more interestingly, that the adsorbed Ni may slowly transfer to Ni-LDH phases with longer reaction times.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2011

Characterization Of Flow Stress Of Different AA6082 Alloys By Means Of Hot Torsion Test

FEM simulations are become the most powerful tools in order to optimize the different aspects of the extrusion process and an accurate flow stress definition of the alloy is a prerequisite for a reliable effectiveness of the simulation. In the paper the determination of flow stress by means of hot torsion test is initially presented and discussed: the several approximations that are usually introduced in flow stress computation are described and computed for an AA6082 alloy in order to evidence the final effect on curves shapes. The procedure for regressing the parameters of the sinhyperbolic flow stress definition is described in detailed and applied to the described results. Then four different alloys, extracted by different casting batches but all namely belonging to the 6082 class, were hot torsion tested in comparable levels of temperature and strain rate up to specimen failure. The results are analyzed and discussed in order to understand if a mean flow stress behavior can be identified for the whole material class at the different tested conditions or if specific testing conditions (chemical composition of the alloy, specimen shape, etc) influence the materials properties to a higher degree.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Analytical results from salt batch 9 routine DSSHT and SEHT monthly samples

Strip Effluent Hold Tank (SEHT) and Decontaminated Salt Solution Hold Tank (DSSHT) samples from several of the “microbatches” of Integrated Salt Disposition Project (ISDP) Salt Batch (“Macrobatch”) 9 have been analyzed for 238 Pu, 90 Sr, 137 Cs, cations (Inductively Coupled Plasma Emission Spectroscopy - ICPES), and anions (Ion Chromatography Anions - IC-A). The analytical results from the current microbatch samples are similar to those from previous macrobatch samples. The Cs removal continues to be acceptable, with decontamination factors (DF) averaging 25700 (107% RSD). The bulk chemistry of the DSSHT and SEHT samples do not show any signs of unusual behavior, other than lacking the anticipated degree of dilution that is calculated to occur during Modular Caustic-Side Solvent Extraction Unit (MCU) processing.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2010

Self-Consistant Numerical Modeling of E-Cloud Driven Instability of a Bunch Train in the CERN SPS

The simulation package WARP-POSINST was recently upgraded for handling multiple bunches and modeling concurrently the electron cloud buildup and its effect on the beam, allowing for direct self-consistent simulation of bunch trains generating, and interacting with, electron clouds. We have used the WARP-POSINST package on massively parallel supercomputers to study the growth rate and frequency patterns in space-time of the electron cloud driven transverse instability for a proton bunch train in the CERN SPS accelerator. Results suggest that a positive feedback mechanism exists between the electron buildup and the e-cloud driven transverse instability, leading to a net increase in predicted electron density. Comparisons to selected experimental data are also given. Electron clouds have been shown to trigger fast growing instabilities on proton beams circulating in the SPS and other accelerators. So far, simulations of electron cloud buildup and their effects on beam dynamics have been performed separately. This is a consequence of the large computational cost of the combined calculation due to large space and time scale disparities between the two processes. We have presented the latest improvements of the simulation package WARP-POSINST for the simulation of self-consistent ecloud effects, including mesh refinement, and generation of electrons from gas ionization and impact at the pipe walls. We also presented simulations of two consecutive bunches interacting with electrons clouds in the SPS, which included generation of secondary electrons. The distribution of electrons in front of the first beam was initialized from a dump taken from a preceding buildup calculation using the POSINST code. In this paper, we present an extension of this work where one full batch of 72 bunches is simulated in the SPS, including the entire buildup calculation and the self-consistent interaction between the bunches and the electrons. Comparisons to experimental data are also given.

43 PARTICLE ACCELERATORS↗

DOE OSTI2011

Direct Numerical Modeling of E-Cloud Driven Instability of a Bunch Train in the CERN SPS

The simulation package WARP-POSINST was recently upgraded for handling multiple bunches and modeling concurrently the electron cloud buildup and its effect on the beam, allowing for direct self-consistent simulation of bunch trains generating, and interacting with, electron clouds. We have used the WARP-POSINST package on massively parallel supercomputers to study the buildup and interaction of electron clouds with a proton bunch train in the CERN SPS accelerator. Results suggest that a positive feedback mechanism exists between the electron buildup and the e-cloud driven transverse instability, leading to a net increase in predicted electron density. Electron clouds have been shown to trigger fast growing instabilities on proton beams circulating in the SPS and other accelerators. So far, simulations of electron cloud buildup and their effects on beam dynamics have been performed separately. This is a consequence of the large computational cost of the combined calculation due to large space and time scale disparities between the two processes. We have presented the latest improvements of the simulation package WARP-POSINST for the simulation of self-consistent ecloud effects, including mesh refinement, and generation of electrons from gas ionization and impact at the pipe walls. We also presented simulations of two consecutive bunches interacting with electrons clouds in the SPS, which included generation of secondary electrons. The distribution of electrons in front of the first beam was initialized from a dump taken from a preceding buildup calculation using the POSINST code. In this paper, we present an extension of this work where one full batch of 72 bunches is simulated in the SPS, including the entire buildup calculation and the self-consistent interaction between the bunches and the electrons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

Utilization of a Novel Chitosan/Clay/Biochar Nanobiocomposite for Immobilization of Heavy Metals in Acid Soil Environment

An organic–inorganic composite of chitosan, nanoclay, and biochar (named as MTCB) was chosen to develop a bionanocomposite to simultaneously immobilize Cu, Pb, and Zn metal ions within the contaminated soil and water environments. The composite material was structurally and chemically characterized with the XRD, TEM, SEM, BET, and FT-IR techniques. XRD and TEM results revealed that a mixed exfoliated/intercalated morphology was formed upon addition of small amounts of nanoclay (5% by weight). Batch adsorption experiments showed that the adsorption capacity of MTCB for Cu{sup 2+}, Pb{sup 2+}, and Zn{sup 2+} were much higher than that of the pristine biochar sample (121.5, 336, and 134.6 mg g{sup −1} for Cu{sup 2+}, Pb{sup 2+}, and Zn{sup 2+}, respectively). The adsorption isotherm for Cu{sup 2+} and Zn{sup 2+} fitted satisfactorily to a Freundlich model while the isotherm of Pb{sup 2+} was best represented by a Temkin model. That the adsorption capacity increased with increasing temperature is indicative of the endothermic nature of the adsorption process. According to the FTIR analysis, the main mechanism involved in immobilization of metals is binding with –NH{sub 2} groups. Results from this study indicated that modification of biochar by chitosan/clay nanocomposite enhances its potential capacity for immobilization of heavy metals, rendering the bionanocomposite into an efficient heavy metal sorbent in mine-impacted acidic waters and soils.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2022

Online Learning and Pricing for Service Systems with Reusable Resources

We consider a price-based revenue management problem with finite reusable resources over a finite time horizon T. Customers arrive following a price-dependent Poisson process, and each customer requests one unit of c homogeneous reusable resources. If there is an available unit, the customer gets served within a price-dependent exponentially distributed service time; otherwise, the customer waits in a queue until the next available unit. In this paper, we assume that the firm does not know how the arrival and service rates depend on posted prices, and thus it makes adaptive pricing decisions in each period based only on past observations to maximize the cumulative revenue. Given a discrete price set with cardinality P, we propose two online learning algorithms, termed batch upper confidence bound (BUCB) and batch Thompson sampling (BTS), and prove that the cumulative regret upper bound is O˜(√PT) , which matches the regret lower bound. In establishing the regret, we bound the transient system performance upon price changes via a novel coupling argument, and also generalize bandits to accommodate subexponential rewards. Here, we also extend our approach to models with balking and reneging customers and discuss a continuous price setting. Our numerical experiments demonstrate the efficacy of the proposed BUCB and BTS algorithms.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Analytical results from routine DSSHT and SEHT monthly samples

Strip Effluent Hold Tank (SEHT) and Decontaminated Salt Solution Hold Tank (DSSHT) samples from several of the “microbatches” of Integrated Salt Disposition Project (ISDP) Salt Batch (“Macrobatch”) 8B have been analyzed for 238 Pu, 90 Sr, 137 Cs, cations (Inductively Coupled Plasma Emission Spectroscopy - ICPES), and anions (Ion Chromatography Anions - IC-A). The analytical results from the current microbatch samples are similar to those from previous macrobatch samples. The Cs removal continues to be excellent, with decontamination factors (DF) averaging 22,100 (114% RSD). The bulk chemistry of the DSSHT and SEHT samples does not show any signs of unusual behavior, other than lacking the anticipated degree of dilution that is calculated to occur during Modular Caustic-Side Solvent Extraction Unit (MCU) processing.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Macroscopic Observation of Soil Nitrification Kinetics Impacted by Copper Nanoparticles: Implications for Micronutrient Nanofertilizer

The potential agricultural use of metal nanoparticles (NPs) for slow-release micronutrient fertilizers is beginning to be investigated by both industry and regulatory agencies. However, the impact of such NPs on soil biogeochemical cycles is not clearly understood. In this study, the impact of commercially-available copper NPs on soil nitrification kinetics was investigated via batch experiments. The X-ray absorption near edge structure spectroscopy analysis showed that the NPs readily oxidized to Cu(II) and were strongly retained in soils with minimum dissolution (<1% of total mass). The Cu 2+ (aq) at 1 mg/L showed a beneficial effect on the nitrification similar to the control: an approximately 9% increase in the average rate of nitrification kinetics (V max ). However V max was negatively impacted by ionic Cu at 10 to 100 mg/L and CuNP at 1 to 100 mg/L. The copper toxicity of soil nitrifiers seems to be critical in the soil nitrification processes. In the CuNP treatment, the suppressed nitrification kinetics was observed at 1 to 100 mg/kg and the effect was concentration dependent at ≥10 mg/L. The reaction products as the results of surface oxidation such as the release of ionic Cu seem to play an important role in suppressing the nitrification process. Considering the potential use of copper NPs as a slow-release micronutrient fertilizer, further studies are needed in heterogeneous soil systems.

36 MATERIALS SCIENCE↗

DOE OSTI2013

GeoMelt{sup R} ICV{sup TM} Treatment of Sellafield Pond Solids Waste - 13414

Kurion, Inc., in partnership with AMEC Ltd., is demonstrating its GeoMelt{sup R} In-Container Vitrification (ICV){sup TM} Technology to Sellafield Ltd. (SL). SL is evaluating the proposition of directly converting a container (skip/box/drum) of raw solid ILW into an immobilized waste form using thermal treatment, such that the resulting product is suitable for interim storage at Sellafield and subsequent disposal at a future Geological Disposal Facility. Potential SL feed streams include sludges, ion-exchange media, sand, plutonium contaminated material, concrete, uranium, fuel cladding, soils, metals, and decommissioning wastes. The solid wastes have significant proportions of metallic constituents in the form of containers, plant equipment, structural material and swarf arising from the nuclear operations at Sellafield. GeoMelt's proprietary ICV process was selected for demonstration, with the focus being high and reactive metal wastes arising from solid ILW material. A composite surrogate recipe was used to demonstrate the technology towards treating waste forms of diverse types and shapes, as well as those considered difficult to process; all the while requiring few (if any) pre-treatment activities. Key strategic objectives, along with their success criterion, were established by SL for this testing, namely: 1. Passivate and stabilize the raw waste simulant, as demonstrated by the entire quantity of material being vitrified, 2. Immobilize the radiological and chemo-toxic species, as demonstrated via indicative mass balance using elemental analyses from an array of samples, 3. Production of an inert and durable product as evidenced by transformation of reactive metals to their inert oxide forms and satisfactory leachability results using PCT testing. Two tests were performed using the GeoMelt Demonstration Unit located at AMEC's Birchwood Park Facilities in the UK. Post-melt examination of the first test indicated some of the waste simulant had not fully processed, due to insufficient processing time and melt temperature. A second test, incorporating operational experience from the first test, was performed and resulted in all of the 138 kg of feed material being treated. The waste simulant portion, at 41 kg, constituted 30 wt% of the total feed mass, with over 90% of this being made up of various reactive and non-reactive metals. The 95 liters of staged material was volume reduced to 41 liters, providing a 57% overall feed to product volume reduction in a fully passivated two-phase glass/metal product. The GeoMelt equipment operated as designed, vitrifying the entire batch of waste simulant. Post-melt analytical testing verified that 91-99+% of the radiological tracer metals were uniformly distributed within the glass/cast refractory/metal product, and the remaining fraction was captured in the offgas filtration systems. PCT testing of the glass and inner refractory liner showed leachability results that outperform the DOE regulatory limit of 2 g/m{sup 2} for the radiological species of interest (Sr, Ru, Cs, Eu, Re), and by more than an order of magnitude better for standard reference analytes (B, Na, Si). (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Semiconductor Quantum Dots Are Efficient and Recyclable Photocatalysts for Aqueous PET-RAFT Polymerization

This Letter describes the use of CdSe quantum dots (QDs) as photocatalysts for photoinduced electron transfer reversible addition–fragmentation chain transfer (PET-RAFT) polymerization of a series of aqueous acrylamides and acrylates. In this work, the high colloidal solubility and photostability of these QDs allowed polymerization to occur with high efficiency (>90% conversion in 2.5 h), low dispersity (PDI < 1.1), and ultralow catalyst loading (<0.5 ppm). The use of protein concentrators enabled the removal of the photocatalyst from the polymer and monomer with tolerable metal contamination (8.41 ug/g). These isolated QDs could be recycled for four separate polymerizations without a significant decrease in efficiency. By changing the pore size of the protein concentrators, the QDs and polymer could be separated from the remaining monomer, allowing for the synthesis of block copolymers using a single batch of QDs with minimal purification steps and demonstrating the fidelity of chain ends.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Characterisation of sludge for pyrolysis conversion process based on biomass composition analysis and simulation of pyrolytic properties

Highlights: • Characterisation of different types sewage sludge for pyrolytic properties. • Developed analytical procedure to categorise and quantify composition of sludge. • Observed qualitative similarity and quantitative variation on properties of sludge. • Correlated organic components with thermochemical properties of sludge. • Coupled model compounds selection and composition analysis for simulation study. - Abstract: Pyrolytic behaviour of sludge is highly complex and obscure because of its heterogeneous and diverse composition. Therefore, an analytical procedure is proposed to categorise and quantify the main constituents in sludge. In addition, a simulation study of sludge characteristics is carried out to complement the composition analysis and to improve our understanding on the relationship between composition of sludge and its corresponding properties. Different types of sludge samples were collected at different treatment stages from four Water Reclamation Plants in Singapore in two separate batches. Model compounds are selected to represent components identified and are used in simulation of pyrolytic properties of sludge. Constituents of sludge are adequately categorised, quantified and characterised in this study. Qualitative similarities and quantitative variations on characteristics of different sludge samples were identified. Comparison among the samples collected with the simulation provided insights on how differences in organic composition of sludge affected its properties.

09 BIOMASS FUELS↗

DOE OSTI2026

Postanaerobic Digestion Manure Fibers as a Renewable Source of Lignin-Derived Aromatic Compounds for Microbial Upgrading

Abstract Postanaerobic digestion manure fibers are an abundant solid residue that remains underutilized. The substantial lignocellulosic content of digested manure opens the possibility of using it as a renewable resource for producing valuable products. In this study, we performed compositional and nuclear magnetic resonance analyses to determine lignin content and aromatic composition of these fibers. Additionally, alkaline-based treatment and reductive catalytic fractionation were evaluated as two different processes to produce aromatic-rich streams. The liquor from the alkaline treatment was subsequently utilized for microbial upgrading to produce 2-pyrone-4,6-dicarboxylic acid (PDC). The results showed that lignin in manure fibers represents 30% of the biomass (dry weight basis), with a ∼26% abundance of β-ether-linked aromatics and ∼13% p-coumarate moieties, indicating that the amount of lignin in the postanaerobic biomass is comparable to a moderately pretreated plant biomass. The alkaline treatment released 5.6 g aromatics/kg fibers, while reductive catalytic fractionation produced 14.0 g aromatics/kg fibers. A bioreactor operated in fed-batch mode produced a yield of ∼1 mol of PDC/mol measured aromatics at a rate of 0.2 g PDC/L·h and a titer of 2.6 g PDC/L. This study demonstrates how postanaerobic digestion manure fibers could be used in a circular bioeconomy by harnessing their lignocellulosic content to extract aromatic compounds and use them for obtaining valuable chemicals via microbial upgrading.

Riascos, Brayan D. [University of Wisconsin-Madiso↗

DOE OSTI2012

Thermal Removal Of Tritium From Concrete And Soil To Reduce Groundwater Impacts

Legacy heavy-water moderator operations at the Savannah River Site (SRS) have resulted in the contamination of equipment pads, building slabs, and surrounding soil with tritium. At the time of discovery the tritium had impacted the shallow (< 3-m) groundwater at the facility. While tritium was present in the groundwater, characterization efforts determined that a significant source remained in a concrete slab at the surface and within the associated vadose zone soils. To prevent continued long-term impacts to the shallow groundwater a CERCLA non-time critical removal action for these source materials was conducted to reduce the leaching of tritium from the vadose zone soils and concrete slabs. In order to minimize transportation and disposal costs, an on-site thermal treatment process was designed, tested, and implemented. The on-site treatment consisted of thermal detritiation of the concrete rubble and soil. During this process concrete rubble was heated to a temperature of 815 deg C (1,500 deg F) resulting in the dehydration and removal of water bound tritium. During heating, tritium contaminated soil was used to provide thermal insulation during which it's temperature exceeded 100 deg C (212 deg F), causing drying and removal of tritium. The thermal treatment process volatiles the water bound tritium and releases it to the atmosphere. The released tritium was considered insignificant based upon Clean Air Act Compliance Package (CAP88) analysis and did not exceed exposure thresholds. A treatability study evaluated the effectiveness of this thermal configuration and viability as a decontamination method for tritium in concrete and soil materials. Post treatment sampling confirmed the effectiveness at reducing tritium to acceptable waste site specific levels. With American Recovery and Reinvestment Act (ARRA) funding three additional treatment cells were assembled utilizing commercial heating equipment and common construction materials. This provided a total of four units to batch treat concrete rubble and soil. Post treatment sampling verified that the activity in the treated soil and concrete met the treatment standards for each medium which allowed the treated concrete rubble and soil to be disposed of on site as backfill. During testing and operations a total of 1,261-m{sup 3} (1,650-yd{sup 3}) of contaminated concrete and soils were treated with an actual incurred cost of $3,980,000. This represents a unit treatment cost of $3,156/m{sup 3} ($2,412/yd{sup 3}). In 2011 the project was recognized with an e-Star Sustainability Award by DOE's Office of Environmental Management.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2013

Thermal Removal of Tritium from Concrete and Soil to Reduce Groundwater Impacts - 13197

Legacy heavy-water moderator operations at the Savannah River Site (SRS) have resulted in the contamination of equipment pads, building slabs, and surrounding soil with tritium. At the time of discovery the tritium had impacted the shallow (< 3-m) groundwater at the facility. While tritium was present in the groundwater, characterization efforts determined that a significant source remained in a concrete slab at the surface and within the associated vadose zone soils. To prevent continued long-term impacts to the shallow groundwater a CERCLA non-time critical removal action for these source materials was conducted to reduce the leaching of tritium from the vadose zone soils and concrete slabs. In order to minimize transportation and disposal costs, an on-site thermal treatment process was designed, tested, and implemented. The on-site treatment consisted of thermal detritiation of the concrete rubble and soil. During this process concrete rubble was heated to a temperature of 815 deg. C (1,500 deg. F) resulting in the dehydration and removal of water bound tritium. During heating, tritium contaminated soil was used to provide thermal insulation during which it's temperature exceeded 100 deg. C (212 deg. F), causing drying and removal of tritium. The thermal treatment process volatiles the water bound tritium and releases it to the atmosphere. The released tritium was considered insignificant based upon Clean Air Act Compliance Package (CAP88) analysis and did not exceed exposure thresholds. A treatability study evaluated the effectiveness of this thermal configuration and viability as a decontamination method for tritium in concrete and soil materials. Post treatment sampling confirmed the effectiveness at reducing tritium to acceptable waste site specific levels. With American Recovery and Reinvestment Act (ARRA) funding three additional treatment cells were assembled utilizing commercial heating equipment and common construction materials. This provided a total of four units to batch treat concrete rubble and soil. Post treatment sampling verified that the activity in the treated soil and concrete met the treatment standards for each medium which allowed the treated concrete rubble and soil to be disposed of on-site as backfill. During testing and operations a total of 1,261-m{sup 3} (1,650-yd{sup 3}) of contaminated concrete and soils were treated with an actual incurred cost of $3,980,000. This represents a unit treatment cost of $3,156/m{sup 3} ($2,412/yd{sup 3}). In 2011 the project was recognized with an e-Star Sustainability Award by DOE's Office of Environmental Management. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Feasibility Studies on a Hexagonal-Lattice Core for a World-Class Cold Neutron Source

Cold neutrons have kinetic energies less than 5 meV and wavelengths greater than 4 Α. They can be transported over tens of meters through super-reflecting neutron guides with minimal losses. Cold neutrons are used to investigate the structure of larger molecular systems such as biological materials, polymers and aggregates, due to their preferential interaction with light elements and general ignorance towards heavy ones. Intense beams of cold neutrons are obtained from slowing down a source of thermal energy neutrons - which may be from either a research reactor or spallation neutron source - through some cryogenic moderator such as liquid hydrogen or deuterium. The present reactor at the NIST Center for Neutron Research (NCNR) - NBSR - is such a cold neutron source (CNS) facility which provides cold neutron beams for over 2,000 scientists performing various experiments annually. Feasibility studies on a replacement reactor for the NBSR are underway at NCNR with the primary purpose of optimized cold neutron production. Low enriched uranium (LEU) fuel is required for the new reactor to conform to nuclear non-proliferation agreements. The low thermal power rate of 20 MW is taken as a priority with a fuel cycle length designated as 30 days. A horizontal split compact core with a large D{sub 2}O reflector tank is currently proposed and studied, with the expectation of achieving much better cold neutron performance than the present NIST reactor (NBSR). A preliminary core design has been completed using MCNP6 modeling and simulation. The physics performance characteristics of the proposed new core indicate that the new design is competitive with the most notable existing advanced cold neutron sources. In previous studies, only rectangular shaped fuel elements were considered because they have similar external dimensions as the NBSR fuel elements. However, from a compact core standpoint, a square lattice is not the most effective geometry for a tight configuration. Moreover, the previous studies also showed that the square lattice of the fuel elements left little room to accommodate vertical insertion blade-type control elements. As a result, all control blades had to reside in the D{sub 2}O reflector, which made the design cumbersome (in that case the control blades must penetrate the reflector tank) and neutronically uneconomical. In this summary, a preliminary feasibility study on a hexagonal core lattice is performed to render an alternative geometry for the new reactor (HEX core) to provide sufficient space for the control elements. The identical LEU fuel (U{sub 3}Si{sub 2}/Al) with U-235 enrichment 19.75% is used in the new design. The maximum thermal power and fuel management scheme remain the same as the previous investigations (three 30-day cycled batches for each batch of three fuel elements). The horizontal split compact core concept is also applied in the hexagonal lattice core design, with the objective of creating maximum thermal flux traps between the split core halves. A detailed description of the model for the hexagonal lattice core is presented in the following section. The HEX core design achieves a number of successes over the previous split-core design. Given that much of the motivation of this work was based on implementation of control blades into a concept which lacked them, it is notable that neutron economy was well-preserved in the process of achieving conservatively effective reactivity control; start-up k{sub eff} was in fact increased by 0.23% and peak thermal flux increased by ∼25%. A useful metric in determining the efficacy of resources towards creating an environment for the production of cold neutrons - dubbed the 'quality factor' (QF) - is the ratio of peak thermal neutron flux in a system to the total thermal power produced. Because HEX core's objectives are very focused in comparison to existing research reactors, it is fitting to pursue a design which out-performs all others in terms of some specific performance metric, namely this QF term. While HFIR remains the greatest cold neutron source in the world, it does so through use of HEU fuel (which will be replaced with LEU in the near future), and suffers a greater level of fast neutron contamination that is expected from the HEX design. The new core design achieves these successes due to the hexagonal lattice fuel arrangement, a 13.5% reduction in cladding mass, and a 13.1% reduction in fuel element volume. In spite of a 5.5% reduction in fuel mass, no compromises in reactor performance were noted. Provided the favorable characteristics shown of the control blade design, refueling intervals longer than the prescribed 30 days may be considered. It can be speculated that with these quantitative benefits, the overall capital and continuous costs of the HEX core design will be less than the previously proposed split-core concept.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2022

Polymeric Microcapsules as Robust Mimics of Emulsion Liquid Membranes for Selective Ion Separations

Selective ion separations are increasingly needed to combat water scarcity, recover resources from wastewater, and enable the efficient recycling of electronics waste. Emulsion liquid membranes (ELMs) have received interest due to rapid kinetics, high selectivities, and low solvent requirements but are too unstable for industrial usage. Here, we demonstrate that polymeric microcapsules can serve as robust, solvent-free mimics of ELMs. As a proof of concept, we incorporated the copper-selective ligand Lix 84-I in the walls of microcapsules formed from a commercial polystyrene-b-polybutadiene-b-polystyrene triblock polymer. The microcapsules were formed from a double-emulsion template, resulting in particles typically 20–120 μm in diameter that encapsulated even smaller droplets of a dilute (≤0.5 M) H 2 SO 4 solution. Batch experiments demonstrated facilitated-transport behavior, with equilibrium reached in as little as 10 min for microcapsules with 1% ligand, and with ~15-fold selectivity for Cu 2+ over Ni 2+ . Furthermore, the microcapsules could be packed readily in columns for flow-through operation, thus enabling near-complete Cu 2+ removal in ~2 min under certain conditions, recovery of Cu 2+ by flowing through fresh dilute H 2 SO 4 , and reuse for at least 10 cycles. The approach in this work can serve as a template for using selective ligands to enable robust and simple flow-through processes for a variety of selective ion separations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2012

Automatic tracking of implanted fiducial markers in cone beam CT projection images

Purpose: This paper describes a novel method for simultaneous intrafraction tracking of multiple fiducial markers. Although the proposed method is generic and can be adopted for a number of applications including fluoroscopy based patient position monitoring and gated radiotherapy, the tracking results presented in this paper are specific to tracking fiducial markers in a sequence of cone beam CT projection images. Methods: The proposed method is accurate and robust thanks to utilizing the mean shift and random sampling principles, respectively. The performance of the proposed method was evaluated with qualitative and quantitative methods, using data from two pancreatic and one prostate cancer patients and a moving phantom. The ground truth, for quantitative evaluation, was calculated based on manual tracking preformed by three observers. Results: The average dispersion of marker position error calculated from the tracking results for pancreas data (six markers tracked over 640 frames, 3840 marker identifications) was 0.25 mm (at iscoenter), compared with an average dispersion for the manual ground truth estimated at 0.22 mm. For prostate data (three markers tracked over 366 frames, 1098 marker identifications), the average error was 0.34 mm. The estimated tracking error in the pancreas data was < 1 mm (2 pixels) in 97.6% of cases where nearby image clutter was detected and in 100.0% of cases with no nearby image clutter. Conclusions: The proposed method has accuracy comparable to that of manual tracking and, in combination with the proposed batch postprocessing, superior robustness. Marker tracking in cone beam CT (CBCT) projections is useful for a variety of purposes, such as providing data for assessment of intrafraction motion, target tracking during rotational treatment delivery, motion correction of CBCT, and phase sorting for 4D CBCT.

62 RADIOLOGY AND NUCLEAR MEDICINE↗