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At least 361 records · Page 20

Computationally-Aided Design of a Small-Scale Radioactive Waste Glass Melter

To provide mission support to the Hanford Waste Immobilization and Treatment Plant for the vitrification of legacy nuclear tank waste, a reduced-scale vitrification pilot system is being designed to process simulated and actual radioactive tank wastes. The tank waste will be separated into high-level waste (HLW) and low-activity waste (LAW) fractions, where the majority by mass (~90%) is LAW and by activity (>95%) is HLW. The first tank waste to be processed at the WTP will be LAW. Since Hanford tank waste and the resultant melter feed compositions are known to vary widely, pilot-scale operations are essential to identify potential problems, provide needed data, confirm assumptions, and determine impacts to full-scale melters and off-gas systems from these different feeds. In addition, the reduced-scale melter system must be capable of quickly providing results to operations without the typically high costs of radioactive operations and provide an engineering platform in close proximity to local operations staff. The objective is to produce similar process conditions to those encountered in the full-scale LAW melters and minimize the volume of radioactive waste necessary for the evaluations. To this end, melter design features are being explored to increase production without significantly increasing surface area, melter glass volumes or compromising data quality. In support of these objectives, a set of computational fluid dynamic models have been developed to provide insight into the flow patterns within these small melters and evaluate design features to increase production without significantly increasing glass inventory. Computed velocities were evaluated at the interface between the cold cap and the molten glass pool and within the bulk glass pool. A method was developed to correlate results to an estimated melt rate and down-select design features that produce the highest gains.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Computationally-Aided Design of a Small-Scale Radioactive Waste Glass Melter

To provide mission support to the Hanford Waste Immobilization and Treatment Plant for the vitrification of legacy nuclear tank waste, a reduced-scale vitrification pilot system is being designed to process simulated and actual radioactive tank wastes. The tank waste will be separated into high-level waste (HLW) and low-activity waste (LAW) fractions, where the majority by mass (~90%) is LAW and by activity (>95%) is HLW. The first tank waste to be processed at the WTP will be LAW. Since Hanford tank waste and the resultant melter feed compositions are known to vary widely, pilot-scale operations are essential to identify potential problems, provide needed data, confirm assumptions, and determine impacts to full-scale melters and off-gas systems from these different feeds. In addition, the reduced-scale melter system must be capable of quickly providing results to operations without the typically high costs of radioactive operations and provide an engineering platform in close proximity to local operations staff. The objective is to produce similar process conditions to those encountered in the full-scale LAW melters and minimize the volume of radioactive waste necessary for the evaluations. To this end, melter design features are being explored to increase production without significantly increasing surface area, melter glass volumes or compromising data quality. In support of these objectives, a set of computational fluid dynamic models have been developed to provide insight into the flow patterns within these small melters and evaluate design features to increase production without significantly increasing glass inventory. Computed velocities were evaluated at the interface between the cold cap and the molten glass pool and within the bulk glass pool. A method was developed to correlate results to an estimated melt rate and down-select design features that produce the highest gains.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Computationally Aided Design of a Small-Scale Waste-Glass Melter - 20452

To provide mission support to the WTP for the vitrification of legacy nuclear tank waste at the Hanford site, a reduced-scale vitrification pilot system is being designed to process simulated and actual radioactive tank wastes. The waste stored in underground tanks will be separated into HLW and LAW fractions, where the majority is LAW by mass (approximately 90%) and HLW by activity (greater than 95%). The first tank waste to be processed at the WTP will be LAW. Because Hanford tank waste and the resultant melter feed compositions are known to vary widely, pilot-scale operations are essential to identify potential problems, provide needed data, confirm assumptions, and determine impacts to full-scale melters and off-gas systems from these different feeds. In addition, the reduced-scale melter system must be capable of quickly providing results to operations without the typically high cost of full-scale radioactive operations and to provide an engineering platform in close proximity to local operations staff. The objectives of this computational modeling effort are to produce process conditions like those encountered in the WTP LAW melters and to minimize the volume of radioactive waste necessary for the evaluations. To this end, melter design features are being explored to increase production without significantly increasing surface area or melter-glass volumes or compromising data quality. In support of these objectives, a set of computational fluid dynamic models was developed to provide insight into the flow patterns within these small melters and evaluate design features to increase production without significantly increasing glass inventory. Computed velocities were evaluated at the interface between the cold cap and the molten-glass pool and within the bulk-glass pool. Since melt rate correlates with the velocity underneath the cold cap, this information can be used to select design features that produce the highest gains. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Exploring the High-Pressure Phases of Carbon through X-ray Diffraction of Dynamic Compression Experiments on Sandia’s Z Pulsed Power Facility

The carbon phase diagram is rich with polymorphs which possess very different physical and optical properties ideal for different scientific and engineering applications. An understanding of the dynamically driven phase transitions in carbon is particularly important for applications in inertial confinement fusion, as well as planetary and meteorite impact histories. Experiments on the Z Pulsed Power Facility at Sandia National Laboratories generate dynamically compressed high-pressure states of matter with exceptional uniformity, duration, and size that are ideal for investigations of fundamental material properties. X-ray diffraction (XRD) is an important material physics measurement because it enables direct observation of the strain and compression of the crystal lattice, and it enables the detection and identification of phase transitions. Several unique challenges of dynamic compression experiments on Z prevent using XRD systems typically utilized at other dynamic compression facilities, so novel XRD diagnostics have been designed and implemented. We performed experiments on Z to shock compress carbon (pyrolytic graphite) samples to pressures of 150–320 GPa. The Z-Beamlet Laser generated Mn-Heα (6.2 keV) X-rays to probe the shock-compressed carbon sample, and the new XRD diagnostics measured changes in the diffraction pattern as the carbon transformed into its high-pressure phases. Quantitative analysis of the dynamic XRD patterns in combination with continuum velocimetry information constrained the stability fields and melting of high-pressure carbon polymorphs.

36 MATERIALS SCIENCE↗

In-Process Melt Separation of Depolymerized PET in PET/PE Blends for Upcycling via Twin-Screw Extrusion

Our previous work focused on depolymerizing polyethylene terephthalate (PET) in twin-screw extrusion, as part of a broader project to continuously separate PET from polyolefins in the melt. This study focused on linear low-density polyethylene (LLDPE) and PET films and the use of ethylene glycol (EG), diethylene glycol (DEG), triethylene glycol (TEG), and bis(2-hydroxyethyl) terephthalate (BHET) to depolymerize the PET in the extruder to levels above 90% Mw. In this work, the focus will shift to achieving separation of the two polymers in the twin-screw extruder, which is made possible due to a 90% reduction in the Mw of the PET, which caused a decrease of its viscosity by several orders of magnitude. Owing to the viscosity difference and pressure buildup in the die, the low-viscosity PET preferentially exited a degassing vent instead of going through the die. This is because the flow of the PET would travel through a non-pressure vent rather than through a high-pressure die. However, owing to the higher viscosity of the LLDPE, the pressure was too high to pass through such a small diameter vent hole. Supercritical CO 2 (SCCO 2 ) was used to assist in this extraction, but SCCO 2 negatively impacted the overall degree of separation. Through analysis of the separated materials, it was concluded that a high separation of the two materials was achieved. TGA and FTIR confirmed that the material separated from the vent was 100% PET. The material removed from the die was composed of 95% LLDPE and 5% PET.

36 MATERIALS SCIENCE↗

Solute effects upon dislocation motion and recovery in Mg alloys (Final Report)

The objective the research was to develop a firmer understanding of the interactions between substitutional solute atoms and dislocations within Mg alloys. These interactions govern the absolute and relative mobilities of various types of dislocations in Mg (e.g., basal < a>, non-basal < a>, and pyramidal < c+a>). Furthermore, they have an impact on dislocation recovery processes (e.g., cross-glide, climb, rearrangement, and annihilation). Ultimately, solute-dislocation interactions strongly impact a) strain hardening, b) strain rate sensitivity, c) plastic anisotropy of textured polycrystals, d) texture evolution, e) dislocation substructures evolution, and even f) recrystallization behavior. It is broadly known that Mg alloys exhibit poor low temperature formability. Since formability is largely governed by properties (a) – (c) in this list, it is critical to develop a better understanding of solute-dislocation interactions, if one hopes to improve the situation. While the theory of static solute strengthening is well developed, especially for alloys with face centered cubic (FCC) crystal structures, there are outstanding questions related to applications to hexagonal close packed (HCP) crystal structures and dynamic strain aging (DSA) in materials of various structures. DSA has far-reaching implications for metal formability and, in the case of Mg alloys, appears to correlate with the so-called rare-earth (RE) texture which has been shown to benefit formability. The Portevin-Le Chatelier (PLC) effect, and associated negative strain rate sensitivity, occur at higher temperatures (>100℃) in Mg alloys as compared with similar Al alloys, even though they have similar melting points and solute diffusivities. Our preliminary research has shown that modern, physics-based models of DSA can be tuned to describe the behavior of Mg alloys if a rather higher activation enthalpy is assumed for cross-core diffusivity. While this partially explains the delay in DSA to higher temperatures, it is also hypothesized that this delay is due in part to the intrinsically more thermally activated (rate sensitive) nature of non-basal < a> dislocation motion which is required for macroscopic flow of Mg alloys, whereas octahedral slip in many FCC metals like aluminum is essentially athermal at room temperature. It was originally proposed to employ a combination of in-situ diffraction-based experimental characterization to validate existing theory. It was envisioned to perform in-situ transmission electron microscopy (TEM) to assess individual dislocation behavior and in-situ high-energy X-ray diffraction (HEXRD) techniques which were showing great promise for elucidating collective dislocation behavior, 2 including recovery, especially if the contributions to various forms of diffraction peak broadening (𝜂𝜂,𝜔𝜔,and 2𝜃𝜃) can be effectively integrated. Finally, it was envisioned to perform discrete dislocation dynamics (DDD) modeling approaches to aide in the interpretation of both TEM and HEXRD experiments. In the end, mechanical tests were performed on more complex Mg alloys which exhibited evidence of dynamic strain aging, and this led to the establishment of another project. Mechanical test data obtained at McMaster University served as the basis of an assessment of the applicability of Bazinski’s “stress equivalence” theory of solute strengthening to polycrystalline alloys of Mg. Although we did not succeed in applying the approach to Mg alloys, we did develop expertise with the HEXRD approach using a BCC, β-Ti alloy and demonstrated numerous new capabilities that may be applied to any polycrystalline material in collaboration with researchers at CHESS and around the world: (1) assessment of details of the elastoplastic transition (yielding) using a combination of HEXRD and full-field polycrystal plasticity modeling, (2) the first-ever experimental observation of strong stress rotation within the individual grains of a polycrystalline material, and (3) a comprehensive analysis of the grain-level dislocation density evolution based upon diffraction peak broadening along 𝜂𝜂,𝜔𝜔,and 2𝜃𝜃 directions. This final aspect allowed us to confirm that dislocations were gliding on multiple plane types and not restricted to {110} type planes, and it also provided clues as to why some grains were unloading during straining, with surprising implications for our understanding of the effects of geometrically necessary dislocations (GNDs). Finally, graduate student, Mohammed Shabana, developed a MATLAB code which confirmed the conclusions of Prof. Catalin Picu (Rensallear Polytechnic Institute, RPI) regarding the effect of solute-trapped, forest dislocations on the breaking stress of Lomer lock junctions in FCC metal alloys. He applied the same anisotropic line-tension model to a variety of dislocation junction configurations and found an inconsistency in the widely cited results of Dupuy and Fivel regarding the Hirth Lock, and he outlined an approach to extend these finding to HCP Mg alloys that we are still pursuing with discretionary fundings at UVA.

36 MATERIALS SCIENCE↗

Product-specific kinetics reveal effect of epoxy crystallization on thermoset thermal degradation

Crystallization is a common problem for epoxy resins, which are ubiquitous in industrial and commercial use. Integration of crystallized epoxy monomers into cured thermosets has been shown to alter the thermosets’ final mechanical properties. However, no studies have investigated the impact of these crystals on the thermal stability of the thermoset. Here we investigate the degradation kinetics of a bisphenol F–based epoxy thermoset with and without crystallized monomers using Product-Specific Kinetic (PSK) analysis coupled with Evolved Gas Analysis-Mass Spectrometry (EGA-MS). PSK analysis revealed significant differences in evolved product ion kinetics, suggesting changes in the degradation kinetics between thermoset configurations. Further, it was concluded that early stages of degradation are influenced most by crystal presence due to the high concentration of unreacted epoxy monomers and lower cross-linking density of the cured network. After post-cure annealing, significant changes are observed in the degradation kinetics of thermosets without crystal inclusions. Conversely, post-cure annealing procedures of crystal integrated thermosets showed little change in the thermoset degradation kinetics across all conversion extents. These findings suggest that post-cure annealing of thermosets with crystals present at the onset does not alter the cross-linking density of the polymer network enough to significantly change the degradation kinetics. We hypothesize this is because the excess monomers from the melted crystals are unable to find suitable reaction sites for complete binding into the polymer network, which has direct implications for the material properties and final thermal stability of the thermoset.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of Fluoride Anions on Nd(III) Electrode Processes and Nd Metal Recovery in LiCl–KCl–NdCl 3

Here, this work investigated the impact of fluoride anions on Nd metal recovery in LiCl–KCl–NdCl 3 electrolytes by introducing LiF at a molar F/Nd ratio of 9 at 773 K. The voltammetric measurements confirmed that the fluoride ions facilitated single-step Nd(III)/Nd reduction by promoting the stability of the Nd(III) state compared to two-step reduction (Nd(III)/Nd(II) and Nd(II)/Nd) in all-chloride electrolytes. The stabilized Nd(III) state in the LiF-containing electrolyte effectively suppressed partial Nd(III)/Nd(II) reduction and the back-dissolution of Nd metal via comproportionation. By suppressing these reactions, high round-trip Coulombic efficiencies of 77–86% were achieved in the LiF-containing electrolyte during selective Nd deposition–removal cycles compared to 53–59% in all-chloride electrolytes. The Faradaic yield for Nd metal recovery was estimated at 38.6% in the LiF-containing electrolyte following long-term electrolysis, more than three times higher than 11.3% in all-chloride electrolytes. These results confirm the beneficial effect of fluoride ions on Nd metal recovery in low-melting chloride-based electrolytes, promising efficient Nd recovery at low temperatures.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

HEAT TRANSFER ASPECTS OF TWO PISTON SPLAT QUENCHING

This thesis investigates the heat transfer aspects of the two-piston splat quench system by modifying surface roughness and by using copper and stainless steel platens. In additive manufacturing, specifically selective laser melting (SLM), metal is subjected to a very rapid heating and cooling that produces cooling rates in the range from 105-106 °C/s. This rapid solidification produces microstructures that deviate far from equilibrium. Splat quenching is an experimental method that produces rapidly solidified structures under cooling rates that are comparable to those found in additive manufacturing. The splat quenching approach allows for more efficient testing of the rapid solidification behavior of a wide variety of alloys. In this thesis, two platen characteristics, surface roughness and material thermal conductivity, were examined to determine their role in controlling the heat transfer and the subsequent cooling rate during splat quenching of austenitic stainless steel 316L. To that objective, 5 surface finishes were produced using metallographic techniques, from 7046-203 Å Rms. Copper and 316L stainless steel platen material were used to reach different levels of thermal conductance. The combination of these 2 variables created 10 scenarios, which were examined using, backscatter imaging, secondary imaging, and electron back scatter diffraction. Cooling rates were estimated using cell sizing obtained through electrolytic etching and secondary imaging. This thesis determined that both surface modification and changes in material type had a statistically significant impact on the cell sizes observed. Where material type far outweighed surface roughness in its effect on cell size.

Roze, Jonathan↗

Biocomposite thermoplastic polyurethanes containing evolved bacterial spores as living fillers to facilitate polymer disintegration

The field of hybrid engineered living materials seeks to pair living organisms with synthetic materials to generate biocomposite materials with augmented function since living systems can provide highly-programmable and complex behavior. Engineered living materials have typically been fabricated using techniques in benign aqueous environments, limiting their application. In this work, biocomposite fabrication is demonstrated in which spores from polymer-degrading bacteria are incorporated into a thermoplastic polyurethane using high-temperature melt extrusion. Bacteria are engineered using adaptive laboratory evolution to improve their heat tolerance to ensure nearly complete cell survivability during manufacturing at 135 °C. Furthermore, the overall tensile properties of spore-filled thermoplastic polyurethanes are substantially improved, resulting in a significant improvement in toughness. The biocomposites facilitate disintegration in compost in the absence of a microbe-rich environment. Finally, embedded spores demonstrate a rationally programmed function, expressing green fluorescent protein. This research provides a scalable method to fabricate advanced biocomposite materials in industrially-compatible processes.

36 MATERIALS SCIENCE↗

Consortium for Production of Affordable Carbon Fibers in the United States (Final Report)

Various feedstocks from coal, petroleum and bio-based acrylonitrile were investigated for their ability to produce carbon fiber within DOE strength (250 ksi), modulus (25 Msi), elongation (>1%) and cost (≤$5/lb) goals for wider utilization in light-weight vehicles for the automotive industry. The overarching approach was to chemically identify and map the various feedstocks, understand the molecular transformation to produce carbon fiber precursors (mesophase for pitch materials of polyacrylonitrile polymer) and how these impact carbon fiber quality. Predictive models were built to relate the feedstocks and precursors to carbon fiber properties using atomistic and micro-scale modeling within ±15%. Using tow-level carbon fiber epoxy composites, carbon fibers tow-level predictions of elastic components of the carbon fibers were also successfully modeled within ±15%, using finite element analysis to confirm single filament carbon fiber properties. These models were validated with tow-level epoxy composite experiments from carbon fibers produced in this study.

01 COAL, LIGNITE, AND PEAT↗

Chemically and mechanically recyclable polyester-based multilayer plastics

Approximately 100 million tons of multilayered plastics (MLPs) are produced each year worldwide but are not recycled due to their complex structure. Here, this work aims to design polyester-based multilayer plastics (80–100 % polyester) that provide barrier performance comparable to typical 9–12-layer commercial MLPs, while also enabling both chemical recycling (back to parent monomer) and mechanical recycling (grind-and-melt reprocessing). Such dual recyclability is not achievable with non-polyester multilayers, such as all-polyolefin systems. Furthermore, we emphasize how the multilayer architecture was tailored to balance barrier properties, mechanical integrity, and end-of-life recyclability for both flexible and rigid packaging applications. Two main categories of polyester-based MLPs are reported; in the first type, poly(butylene adipate-co-terephthalate) (PBAT)-70 % polyglycolic acid (PGA) is used as middle barrier layer, while in second type, middle barrier layer is Ethylene-vinyl alcohol (EVOH) copolymers. Polyethylene terephthalate (PET) was used as a structural layer, while either PBAT or poly(butylene succinate) (PBS) was used to enable thermal sealing and serve as the product contact layer. These MLPs are recycled by both chemical and mechanical recycling processes. Techno-economic analysis (TEA) shows that MLPs incorporating EVOH as barrier layer have similar or lower selling costs (0.32 $\$$/m 2 ) than commercial MLPs. Life cycle assessment (LCA) indicates EVOH-based MLPs have a lower carbon footprint and lower energy consumption relative to commercial MLP benchmarks. This work offers simplified MLPs that are easy to manufacture and ready to recycle, which will significantly reduce environmental impact of MLP packaging while also providing a cost-effective and practical solution for industry.

Barrier properties↗

Theory-guided Design of Refractory MPEAs for High-Temperature, Harsh-Service Conditions

Focusing on novel materials for harsh-service environments (oxidation, corrosion, and load), durability, higher operational temperature, and direct impact on power-generation technology, the goal was, using a quantitative theory-guided design approach integrated with high-throughput synthesis and characterization for validation, to accelerate by 50% the development of high temperature, refractory-based multi-principal element alloys (MPEAs) materials platforms (with co-designed oxidation-resistant, self-healing coatings) that demonstrate phase-stable operation with desired properties at 10-20% higher temperatures in oxidizing environments over state-ofthe- art systems (like Ni-stainless steels, i.e., Haynes 282 – used in critical gas turbine applications, and refractory TZM, i.e., molybdenum-rich Mo99.4-Ti0.5-Zr0.08-C0.02 in wt%). Notably, refractory MPEAs may achieve higher operational temperatures with superior creep strength and offer 50-100% larger thermal conductivity (140-170 W/m-K) than Ni-based systems, potentially eliminating active cooling, reducing system weight, complexity, and cost. Achieving this goal addresses DOE material challenges in energy generation and efficiency (higher-temperature operation), reduced lifecycle energy (waste-heat recovery), and accelerating materials development in support of AMO’s Strategic Plan and QTR goals. DOE’s Advanced Manufacturing Office (AMO) goal of reducing industrial energy intensity and GHG emissions is addressed by development of coated refractory MPEAs exhibiting 20%+ higher operational temperature (direct increase of Carnot efficiency), higher melting temperatures (better phase stability), superior creep strength (better lifetime with creep rate lower by factor of 10), larger (50-100%) thermal conductivity (improved cooling without active cooling), reduced complexity (single-phase alloys), self-healing coating (reliable oxidation-resistance) and cost.

36 MATERIALS SCIENCE↗

Binderjet Additive Manufacturing for Complex Heat Exchanger Geometries

Concentrated Solar Power (CSP) systems play a role in the worlds development of renewable energy. Mirrors are used to concentrate sunlight that is converted into electricity or other forms of useful energy. CSP impact depends significantly on its overall economics. The U.S. Department of Energy’s (DOE’s) Solar Energy Technology Office (SETO) cost goals for 2030include $0.05/kWh levelized cost of electricity (LCOE) for a baseload plant [1]. The power cycle cost goal is $900/kWe [1]. The envisioned recompression supercritical carbondioxide (sCO2) power cycle includes four heat exchangers, which together are at least ¾ of the total power cycle cost. Meeting the cost target requires reducing the heat exchanger cost. The 260 bar and 588 °C heat exchanger requirements are challenging. Shell and tube heat exchangers can meet the requirements, but the size and cost are prohibitive. State-of-the-art diffusion bonded printed circuit heat exchanger designs are 3 m3 or larger and expensive to manufacture. Additive manufacturing enables novel heat exchanger geometries that can reduce heat exchanger size and mass [2]. Binderjet technology is an additive manufacturing modality. It selectively deposits binder material onto the powder bed to form a solid part one layer at a time. Once applied, the binder is cured, the remaining powder removed, and the part heat treated in steps to remove the binder, sinter the metal powder, and densify the part. The Binderjet printing process is more than 10x faster than the best-known metal additive modality, direct metal laser melting (DMLM), thus enabling 10x the part through-put rate [3]. The high throughput rate results in a low-cost manufacturing process capable of creating complex heat exchanger geometries. This paper introduces a complex heat exchanger geometry and methods of Binderjet processing to fabricate the geometry.

Barua, Ananda↗

Projected changes in extreme streamflow and inland flooding in the mid-21st century over Northeastern United States using ensemble WRF-Hydro simulations

Study region: Northeastern United States (NEUS). Study focus: We investigate the potential impacts of climate change on precipitation, streamflow, and inland flooding in the NEUS during the mid-21st century. Dynamically downscaled climate projections from three global climate models for historical (1995-2004) and future (2045-2054) periods under business-as-usual scenarios were used to force the hydrologic model WRF-Hydro at 200-meter resolution and create ensemble hydrologic simulations. Additionally, an extreme value model was developed to project the risks associated with low-frequency hydrologic events. New hydrological insights for the region: Results from four major watersheds indicate a significantly wetter regime in winter months and potential drier conditions during late spring to early summer. Discharges in fall are projected to decrease in the northern watersheds and increase toward the south. Extreme flow and water depths resulting from extreme inland flooding are projected to increase by 5-20% and > 100%, respectively. The extent of the total flooded area is likely to be 20% greater by the mid-century. These increased risks can be attributed to (i) an approximate 25% increase in decadal mean and > 40% increase in decadal extreme precipitation intensity, (ii) up to 30% lower snow availability and 5-25% higher evapotranspiration throughout the year, and (iii) a projected 5% increase in soil moisture in all seasons except summer. Furthermore, rapid snow melting in winter will likely cause an earlier peak flow in the rivers.

54 ENVIRONMENTAL SCIENCES↗

Multiscale Physics of Atomic Nuclei from First Principles

Atomic nuclei exhibit multiple energy scales ranging from hundreds of MeV in binding energies to fractions of an MeV for low-lying collective excitations. As the limits of nuclear binding are approached near the neutron and proton drip lines, traditional shell structure starts to melt with an onset of deformation and an emergence of coexisting shapes. It is a long-standing challenge to describe this multiscale physics starting from nuclear forces with roots in quantum chromodynamics. Here, we achieve this within a unified and nonperturbative quantum many-body framework that captures both short- and long-range correlations starting from modern nucleon-nucleon and three-nucleon forces from chiral effective field theory. The short-range (dynamic) correlations which account for the bulk of the binding energy are included within a symmetry-breaking framework, while long-range (static) correlations (and fine details about the collective structure) are included by employing symmetry projection techniques. Our calculations accurately reproduce—within theoretical error bars—available experimental data for low-lying collective states and the electromagnetic quadrupole transitions in 20−30 Ne. In addition, we reveal coexisting spherical and deformed shapes in 30 Ne, which indicates the breakdown of the magic neutron number 𝑁 = 20 as the key nucleus 28 O is approached, and we predict that the drip line nuclei 32,34 Ne are strongly deformed and collective. By developing reduced-order models for symmetry-projected states, we perform a global sensitivity analysis and find that the subleading singlet 𝑆-wave contact and a pion-nucleon coupling strongly impact nuclear deformation in chiral effective field theory. The techniques developed in this work clarify how microscopic nuclear forces generate the multiscale physics of nuclei spanning collective phenomena as well as short-range correlations and allow one to capture emergent and dynamical phenomena in finite fermion systems such as atom clusters, molecules, and atomic nuclei.

74 ATOMIC AND MOLECULAR PHYSICS↗

Assessing Global Ocean Circulation Sensitivity to Changes in Antarctic Ice Discharge

The principal goal of this research is to assess how projected increases in meltwater discharge and iceberg calving from the Antarctic Ice Sheet will impact climate in the next 250 years. In short, the sensitivity of the global ocean circulation and climate, and in particular the Atlantic Meridional Overturning Circulation (AMOC), to large increases in iceberg calving and meltwater discharges to the Southern Ocean are poorly understood. The requirement to investigate this topic is heightened by growing evidence that the West Antarctic Ice Sheet (WAIS) is vulnerable to rapid retreat and collapse through marine-ice-sheet-instability (MISI) on multidecadal-to-centennial timescales. Future model simulations of the AIS show the potential for rapid ice sheet retreat in the next 50 – 300 years, with such a collapse associated with the discharge of enormous volumes of ice and meltwater to the Southern Ocean. This project uses a combination of an ice sheet/shelf model and a fully coupled (ocean-atmosphere-seaice) model (CESM 1.2) to explore the sensitive of global climate to future changes in runoff from the Antarctic continent under future greenhouse gas emissions scenarios IPCC RCP4.5 and 8.5. Overall, accounting for Antarctic meltwater reduces the projected global mean anthropogenic greenhouse warming by up to 2 deg C. during peak WAIS collapse and by ~1 deg. for most of the simulation. In addition, the increased meltwater contribution raises sub-surface ocean temperatures at the Antarctic ice sheet margin by more than 1ºC, such that the ice shelf basal melt rates increase beyond those currently projected. In contrast, the model predicts a strong cooling of both the surface air and ocean temperatures over the Southern Ocean that results in a massive expansion and thickening of the perennial sea-ice. The slow-down in anthropogenic warming also results in the onset of ice-free conditions in the Arctic being delayed in the model by several decades, and the projected slowdown in the AMOC to reduce.

58 GEOSCIENCES↗

Thermomechanical Processing of Uranium Alloys with 10 and 50 Weight Percent Zirconium

This work focuses on casting and thermomechanical processing for moderate sized (500-1000g) 10% by weight and 50% by weight uranium-zirconium alloys. Three castings of uranium – 10wt% zirconium and a fourth casting of uranium – 50wt% zirconium were completed using different castings processes. The first casting process relied on only induction mixing within the VIM system thereby eliminating the need for an arc-melting feedstock preparation step. The second casting process used the arc-melting process prior for feedstock to the same VIM system. In this study, the induction mixing process alone with a graphite crucible appears insufficient for the fabrication of UZr alloys. Graphite is suitable with the use of master alloy UZr feedstock produced by arc-melting. There was a moderate increase of approximately 100 ppm of carbon within the U10Zr alloys. However, there was a near 1000 ppm increase of carbon in the U50Zr alloy. This carbon content is considered too high for forming processes, and therefore, warrants the use of a ceramic crucible for UZr castings near 50wt% zirconium. Zirconia does not appear suitable for UZr castings near 50wt% zirconium. The use of Beryllia or Thoria may be a more suitable option. However, due to the significantly lower liquidus and lower zirconium content, Zirconia crucibles do appear viable for carbon reduction in the U10Zr system. Two thermomechanical processes are also studied in this work - hot extrusion of the U50Zr system and heat treatment in an argon atmosphere. This work demonstrated that extrusion of the U50Zr alloy near 680°C is a viable choice even with +1000 ppm carbon. Extrusion of the U50Zr system near 630°C was unsuccessful and does not appear viable unless significant force and tooling strength is available. There appears to be a moderate increase in extrudate hardness when compared to as-cast. Heat-treatment reduced the hardness of as-cast alloys in the U10Zr castings as well as resolve some variance in the microstructures. However, for the U50Zr billet that did not successfully extrude at 630°C, heat treatment at 900°C for 96 hours did not have a significant impact on hardness or microstructure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗