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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↗

CONVECTIVE OVERSHOOT MIXING IN MODELS OF THE STELLAR INTERIOR

Convective overshoot mixing plays an important role in stellar structure and evolution. However, overshoot mixing is also a long-standing problem; it is one of the most uncertain factors in stellar physics. As is well known, convective overshoot mixing is determined by the radial turbulent flux of the chemical component. In this paper, a local model of the radial turbulent flux of the chemical component is established based on hydrodynamic equations and some model assumptions and is tested in stellar models. The main conclusions are as follows. (1) The local model shows that convective overshoot mixing could be regarded as a diffusion process and the diffusion coefficient for different chemical elements is the same. However, if the non-local terms i.e., the gradient of the third-order moments, are taken into account, the diffusion coefficient for each chemical element should in general be different. (2) The diffusion coefficient of convective/overshoot mixing shows different behaviors in the convection zone and in the overshoot region because the characteristic length scale of the mixing is large in the convection zone and small in the overshoot region. Overshoot mixing should be regarded as a weak mixing process. (3) The diffusion coefficient of mixing is tested in stellar models, and it is found that a single choice of our central mixing parameter leads to consistent results for a solar convective envelope model as well as for core convection models of stars with masses from 2 M to 10 M.

79 ASTRONOMY AND ASTROPHYSICS↗

ℤ{sub 2} SIMP dark matter

Dark matter with strong self-interactions provides a compelling solution to several small-scale structure puzzles. Under the assumption that the coupling between dark matter and the Standard Model particles is suppressed, such strongly interacting massive particles (SIMPs) allow for a successful thermal freeze-out through N-to-N{sup ′} processes, where N dark matter particles annihilate to N{sup ′} of them. In the most common scenarios, where dark matter stability is guaranteed by a ℤ{sub 2} symmetry, the seemingly leading annihilating channel, i.e. 3-to-2 process, is forbidden, so the 4-to-2 one dominate the production of the dark matter relic density. Moreover, cosmological observations require that the dark matter sector is colder than the thermal bath of Standard Model particles, a condition that can be dynamically generated via a small portal between dark matter and Standard Model particles, à la freeze-in. This scenario is exemplified in the context of the Singlet Scalar dark matter model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Investigations of effect of phase change mass transfer rate on cavitation process with homogeneous relaxation model

The super high fuel injection pressure and micro size of nozzle orifice has been an important development trend for the fuel injection system. Accordingly, cavitation transient process, fuel compressibility, amount of noncondensable gas in the fuel and cavitation erosion have attracted more attention. Based on the fact of cavitation in itself is a kind of thermodynamic phase change process, this paper takes the perspective of the cavitation phase change mass transfer process to analyze above mentioned phenomenon. The two-phase cavitating turbulent flow simulations with VOF approach coupled with HRM cavitation model and U-RANS of standard k-ε turbulence model were performed for investigations of cavitation phase change mass transfer process. It is concluded the mass transfer time scale coefficient in the Homogenous Relaxation Model (HRM) representing mass transfer rate should tend to be as small as possible in a condition that ensured the solver stable. At very fast mass transfer rate, the phase change occurs at very thin interface between liquid and vapor phase and condensation occurs more focused and then will contribute predictably to a more serious cavitation erosion. Both the initial non-condensable gas in fuel and the fuel compressibility can accelerate the cavitation mass transfer process.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Vitrification of Hanford Tank Waste 241-AP-107 in a Continuous Laboratory-Scale Melter

Low-activity waste (LAW) stored in underground tanks on the Hanford Site in Washington State is planned to be filtered for solids removal and processed through ion exchange columns for cesium removal. These pretreatment steps will allow the waste to be transferred to the Hanford Tank Waste Treatment and Immobilization Plant’s LAW Facility for immobilization into glass. The liquid waste will be combined with glass-forming chemicals (GFCs) to form a waste feed slurry that can be fed to electric melters for vitrification. The process of continuously converting the aqueous feed slurry into a melt is dynamic and includes multiple reactions, degassing, and dissolution processes that depend on heat from the melt below. In this conversion process, waste components are partitioned into one of two streams: glass and off-gas. Washington River Protection Solutions has requested processing information and chemical information associated with these waste products for actual waste from Hanford tank 241-AP-107 (referred to herein as AP-107). To acquire this type of information, a small-scale melter system was designed that would not require high volumes of input waste or the large resource commitment of a full-scale melter system, while also providing dynamic information that would be difficult to determine from batch reactions in a crucible system. A continuous laboratory-scale melter (CLSM) has been designed to operate with a continuous feeding process while periodically pouring glass product and collecting off-gas. The CLSM vessel has been sized to collect the relevant process and chemical information from obtainable volumes of AP-107 waste samples. A total 8.6 L of actual AP-107 tank waste were received after filtering for solids removal and ion exchange for cesium removal. This volume of AP-107 waste was mixed with GFCs to form an estimated 11.8 L of melter feed slurry. A mass of 7.01 kg of glass product were poured from the CLSM vessel during 10.07 hours of charging the AP-107 melter feed, indicating that about 15.0 kg of melter feed was vitrified into glass. The CLSM system was also designed with the capability to fully divert the flow of off-gas produced in the CLSM vessel to a sampling line that could capture the volatile species of interest, such as technetium-99 ( 99 Tc). This novel sampling system avoided the difficulties of slipstream sampling and could be activated once the feeding reached a steady state within the CLSM vessel. Off-gas product samples captured via high-efficiency particulate air (HEPA) filters using this method, as well as selected glass product samples were sent to an analytical lab for chemical analysis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Process Improvements to Biomass Pretreatment of Fuels and Chemicals

MBI, a 501c(3) company focusing on de-risking and scaling up bio-based technologies, has teamed with Michigan State University and the Idaho National Laboratory to develop and demonstrate process improvements to the ammonia fiber expansion (AFEX) pretreatment process. The logistical hurdles of biomass handling are well known, and the regional depot concept - in which small, distributed bioprocessing operations collect, preprocess, and densify biomass before shipping to a centralized refinery - is a promising alternative to centralized collection. AFEXTM (AFEX is a trademark of MBI) has unique features among pretreatments that would make it desirable as a pretreatment prior to densification at the depot scale. MBI has developed a novel design, using a packed bed reactor for the AFEX process that can be scaled down economically to the depot scale at a lower capital cost as compared to the traditional design (Pandia type reactor). Thus, the purpose of this project was to develop, scale-up, demonstrate, and improve this novel design The key challenges are the recovery of ammonia, consistent and complete pretreatment performance, and the overall throughput of the reactor. In this project an engineering scale packed bed AFEX system with 1-ton per day capacity was installed at MBI’s building. The system has been operational since mid-2013. During that time, MBI has demonstrated the robustness, reliability, and consistency of the process. To date, nearly 500 runs have been performed in the reactors. There have been no incidences of plugging (i.e., inability to remove ammonia from biomass after the treatment), nor has there been any instance of a major ammonia release into the atmosphere. Likewise, the sugar released via enzyme hydrolysis has remained consistent throughout these runs. Our economic model shows a 46% reduction in AFEX capital cost at the 100 ton/day scale compared to the traditional design of AFEX (Pandia type reactor). The key performance factors were demonstrated; >94% ammonia recovery, >75% sugar yields at high solid loading, and complete utilization of the sugars for ethanol production at the 2500 liter scale. Fermentation tests were performed using Zymomonas mobilis 8b and densified AFEX-treated corn stover at >20% solid loading. The obtained titer (~60g/l), productivity (2.5 g/L-h), and yield (330 L/tonne of biomass) exceeded the performance targets set out by NREL. The key findings from these efforts are: no contamination was observed, no cleanup of the sugar stream was required, and no major nutrient addition was required. Our economic model shows that using a packed bed design for the AFEX process and pelleted AFEX-treated biomass reduces the ethanol production cost by 24% when compared to using the traditional AFEX design.

09 BIOMASS FUELS↗

Machine learning with knowledge constraints for process optimization of open-air perovskite solar cell manufacturing

Perovskite photovoltaics (PV) have achieved rapid development in the past decade in terms of power conversion efficiency of small-area lab-scale devices; however, successful commercialization still requires further development of low-cost, scalable, and high-throughput manufacturing techniques. One of the critical challenges of developing a new fabrication technique is the high-dimensional parameter space for optimization, but machine learning (ML) can readily be used to accelerate perovskite PV scaling. Herein, we present an ML-guided framework of sequential learning for manufacturing process optimization. We apply our methodology to the Rapid Spray Plasma Processing (RSPP) technique for perovskite thin films in ambient conditions. With a limited experimental budget of screening 100 process conditions, we demonstrated an efficiency improvement to 18.5% as the best-in-our-lab device fabricated by RSPP, and we also experimentally found 10 unique process conditions to produce the top-performing devices of more than 17% efficiency, which is 5 times higher rate of success than the control experiments with pseudo-random Latin hypercube sampling. Our model is enabled by three innovations: (a) flexible knowledge transfer between experimental processes by incorporating data from prior experimental data as a probabilistic constraint; (b) incorporation of both subjective human observations and ML insights when selecting next experiments; (c) adaptive strategy of locating the region of interest using Bayesian optimization first, and then conducting local exploration for high-efficiency devices. Furthermore, in virtual benchmarking, our framework achieves faster improvements with limited experimental budgets than traditional design-of-experiments methods (e.g., one-variable-at-a-time sampling). This framework shows the capability of incorporating researchers’ domain knowledge into the ML-guided optimization loop; therefore, it has the potential to facilitate the wider adoption of ML in scaling to perovskite PV manufacturing.

14 SOLAR ENERGY↗

Small Scale Field Test Demonstrating CO 2 Sequestration In Arbuckle Saline Aquifer And By CO 2 -Eor At Wellington Field, Sumner County, Kansas

The objectives of this project are to understand the processes that occur when a maximum of 70,000 metric tonnes of CO 2 are injected into two different formations to evaluate the response in different lithofacies and depositional environments. The evaluation will be accomplished through the use of both in situ and indirect MVA (monitoring, verification, and accounting) technologies. The project will optimize for carbon storage accounting for 99% of the CO 2 using lab and field testing and comprehensive characterization and modeling techniques. Site characterization and CO 2 injection should demonstrate state-of-the-art MVA tools and techniques to monitor and visualize the injected CO 2 plume and to refine geomodels developed using nearly continuous core, exhaustive wireline logs, and well tests and a multi-component 3-D seismic survey. Reservoir simulation studies will map the injected CO 2 plume and estimate tonnage of CO 2 stored in solution, as residual gas, and by mineralization and integrate MVA results and reservoir models shall be used to evaluate CO 2 leakage. A rapid-response mitigation plan was developed to minimize CO 2 leakage and provide a comprehensive risk management strategy. The CO 2 was intended to be supplied from a reliable facility and have an adequate delivery and quality of CO 2 . However, several unforeseen circumstances complicated this plan: (1) the initially negotiated CO 2 supply facility went offline and contracts associated with CO 2 supply had to be renegotiated, (2) a UIC Class VI permit proved to be difficult to obtain due to the experimental nature of the project. Both subjects are detailed in separate deliverables attached to this report. The CO 2 enhanced oil recovery (EOR) and geologic storage in Mississippian carbonate reservoir was sucessully deployed. Approximately 20,000 metric tons of CO 2 was injected in the upper part of the Mississippian reservoir to verify CO 2 EOR viability in carbonate reservoirs and evaluate a potential of transitioning to geologic CO 2 storage through EOR. A total of 1,101 truckloads, 19,803 metric tons—an average of 120 tonnes per day—were delivered over the course of injection that lasted from January 9 to June 21, 2016. After cessation of CO 2 injection, the KGS 2-32 well was converted to water injector and continues to operate. CO 2 EOR progression in the field was monitored weekly with fluid level, temperature, and production recording and formation fluid composition sampling. It is important to note that normally, CO 2 EOR pilots are less efficient than commercial operations due to lack of directional and precise well control, lack of surface facilities for CO 2 recycling, and other factors. As a result of this pilot CO 2 injection, the observed incremental average oil production increase was ~68% with only ~18% of injected CO 2 produced back. Decline curve analysis forecasts of additional cumulative oil produced were 32.44M STB to the end of 2027. Wellington Mississippian pilot efficiency by the end of forecast calculations is 11 MCF per barrel of produced oil. Using 32M STB oil production and $1,964,063 cost of CO 2 , CO 2 EOR cost per barrel of oil production is ~$60. Simple but robust monitoring technologies proved to be very efficient in detecting and locating CO 2 . High CO 2 reservoir retentions with low yields within an actively producing field could help to estimate real-world risks of CO 2 geological storage for future projects. The Wellington Field CO 2 EOR was executed in a controlled environment with high efficiency. This case study proves that CO 2 EOR could be successfully applied in Kansas carbonate reservoirs if CO 2 sources and associated infrastructure are available. Recent developments in unconventional resources development in Mid-Continent USA and associated large volume disposal of backflow water and the resulting seismic activity have brought more focus and attention to the Arbuckle Group in southern Kansas. Despite the commercial interest, limited essential information about reservoir properties and structural elements has impeded the management and regulation of disposal, an issue brought to the forefront by recent seismicity in and near areas of large volumes and rates of brine disposal. The Kansas Geological Survey (KGS) collected, compiled, and analyzed available data, including well logs, core data, step rate tests, drill stem tests, 2-D and 3-D seismic data, water level measurements, and others types of data. Several exploratory wells were drilled and core was collected and modern suites of logs were analyzed. Reservoir properties were populated into several site-specific geological models. The geological models illustrate the highly heterogeneous nature of the Arbuckle Group. Vertical and horizontal variability results in several distinct hydro-stratigraphic units that are the result of both depositional and diagenetic processes. During the course of this project, it has been demonstrated that advanced seismic interpretation methods can be used successfully for characterization of the Mississippian reservoir and Arbuckle saline aquifer. Analysis of post-stack 3-D seismic data at the Mississippian reservoir showed the response of a gradational velocity transition. Pre-stack gather analysis showed that porosity zones of the Mississippian and Arbuckle reservoirs exhibit characteristic amplitude versus offset (AVO) response. Simultaneous AVO inversion estimated P- and S-impedances. The 3-D survey gather azimuthal anisotropy analysis (AVAZ) provided information about the fault and fracture network and showed good agreement to the regional stress field and well data. Mississippian reservoir porosity and fracture predictions agreed well with the observed mobility of injected CO 2 in KGS well 2-32. Fluid substitution modeling predicted acoustic impedance reduction in the Mississippian carbonate reservoir introduced by the presence of CO 2 . Seismicity in the United States midcontinent has increased by orders of magnitude over the past decade. Spatiotemporal correlations of seismicity to wastewater injection operations have suggested that injection-related pore fluid pressure increases are inducing the earthquakes. In this investigation, we examine earthquake occurrence in southern Kansas and northern Oklahoma and its relation to the change in pore pressure. The main source of data comes from the Wellington Array in the Wellington oil field, in Sumner County, Kansas, which has monitored for earthquakes in central Sumner County, Kansas, since early 2015. The seismometer array was established to monitor CO 2 injection operations at Wellington Field. Although no seismicity was detected in association with the spring 2016 Mississippian CO 2 injection, the array has recorded more than 2,500 earthquakes in the region and is providing valuable understanding to induced seismicity. A catalog of earthquakes was built from this data and was analyzed for spatial and temporal changes, stress information, and anisotropy information. The region of seismic concern has been shown to be expanding through use of the Wellington earthquake catalog, which has revealed a northward progression of earthquake activity reaching the metropolitan area of Wichita. The stress orientation was also calculated from this earthquake catalog through focal mechanism inversion. The calculated stress orientation was confirmed through comparison to other stress measurements from well data and previous earthquake studies in the region. With this knowledge of the stress orientation, the anisotropy in the basement could be understood. This allowed for the anisotropy measurements to be correlated to pore pressure increases. The increase in pore pressure was monitored through time-lapse shear-wave anisotropy analysis. Since the onset of the observation period in 2010, the orientation of the fast shear wave has rotated 90°, indicating a change associated with critical pore pressure build up. The time delay between fast and slow shear wave arrivals has increased, indicating a corresponding increase in anisotropy induced by pore pressure rise. In-situ near-basement fluid pressure measurements corroborate the continuous pore pressure increase revealed by the shear-wave anisotropy analysis over the earthquake monitoring period. This research is the first to identify a change in pore fluid pressure in the basement using seismological data and it was recently published in the AAAS journal Science Advances (Nolte et al., 2017). The shear-wave splitting analysis is a novel application of the technique, which can be used in other regions to identify an increase in pore pressure. This increasing pore fluid pressure has become more regionally extensive as earthquakes are occurring in southern Kansas, where they previously were absent. These monitoring techniques and analyses provide new insight into mitigating induced seismicity’s impact on society.

02 PETROLEUM↗

Nanoscale Fabrication of Microwave Detectors from Commercially-Available CVD-Grown Monolayer Graphene

Using commercially-available monolayer graphene, synthesized by means of chemical vapor deposition, microwave power sensing elements have been nanofabricated and integrated with microwave-grade test structures suitable for on-wafer probing. The graphene, situated on a thermal oxide, was first cleaned of stray contaminants in a forming gas environment briefly held at 250 degrees Celsius using a rapid thermal annealer. Immediately following this step, the graphene was passivated with a protective aluminum oxide layer (approximately S nm in thickness). Micrometer-scale Corbino disc test structures were then fabricated in direct contact with the graphene using a self-aligned process, which relies on the fact that tetramethylammonium hydroxide develops the photoresist while removing the aluminum oxide. Graphene nanoribbons (with widths as small 400 nm) were then fabricated across the Corbino disc gaps using electron-beam writing in conjunction with a negative tone resist. The same developer exposed the majority of the graphene while defining nanometer-scale lines of photoresist stacked upon aluminum oxide. These stacks served as etch-stops while the unprotected graphene was ion-milled in an oxygen plasma. Finally, the photoresist was removed leaving behind passivated graphene nanoribbons. Damage caused by the fabrication was evaluated by comparing the Raman spectra of the grapheme before and after processing.

detectors↗

Vibroacoustic Process Monitoring of 5-Stage Centrifugal Contactors

Vibroacoustic monitoring was investigated to aid in informing process operators with parameters regarding aqueous separation techniques. These techniques have a wide range of applications including nuclear fuel reprocessing. A small-scale solvent extraction system was set up with five magnetic drive contactors and two piston pumps to collect realistic operation. Vibration sensors were placed on three of the contactors and both pumps, and a microphone was placed near the system. Contactor rotational speed and pump flow rate were varied with known values to compare against measured vibroacoustic signatures. Spectral analysis allowed for the determination of contactor rotational speed and the ratio of organic to aqueous flow rate, an important parameter for ensuring optimal extraction. Vibration metrics such as kurtosis and crest factor provided additional details regarding individual rotational speeds and have potential in examination of faults for predictive maintenance. Overall, results indicate the capability of vibroacoustic monitoring to improve operator awareness and process outcomes.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Ultra-fast Boriding for Improved Energy Efficiency and Reduced Emissions in Materials Processing Industries (Final Report)

High-temperature treatment processes (such as nitriding, carburizing, and boronizing) are well-established and used widely by numerous industrial sectors to achieve superior mechanical and tribological properties on all kinds of engineering components made out of ferrous materials. Unfortunately, these traditional processes are very slow and energy intensive, and they produce large amounts of CO 2 emissions and liquid/solid wastes to deal with during and after each process run. From economic and environmental points of views, it is highly desirable to develop and implement novel surface treatment technologies that are quick, cheap, clean, and energy efficient. The main objective of this project was to develop an industrial-scale ultra-fast boriding process that realizes all of these desirable attributes. The other objectives of the project were to demonstrate the superior performance, properties, and durability of borided surfaces under relevant test conditions and to transfer optimized technology to industry for large-scale practice. Major research activities included process design, modeling, product optimization, and scale-up. This project has achieved all of its stated objectives, and the industrial-scale boriding process has been successfully transferred to industry. Specifically, all of the original tasks have been completed, and the milestones have been met by scaling up from a small proof-of-concept system (which could only handle about 0.25 kg melt) to a commercial-scale boriding unit that can handle up to 4,000 kg melt. Mechanical and tribological testing of borided test samples and industrial parts has also been carried out, and their superior performance over a broad range of test conditions has been validated. With the large-scale, ultra-fast boriding process, we could achieve thick, hard, and uniform boride layers on all kinds of steel components, even after only 5 min of treatment time. We could also attain excellent uniformity in thickness over the entire exposed surfaces — even in the very sharp corners or interior sections of odd-shaped workpieces. Boriding of numerous nonferrous materials was also demonstrated, and thick boride layers (up to 300 µm in thickness) were achieved on their outer surfaces. With the use of a large-scale boriding unit at Argonne National Laboratory, our research team has successfully treated large numbers of industrial components in a batch-to-batch operation without creating any in-house gaseous emissions or producing solid and/or liquid wastes. With the use of this large unit, our team achieved surface hardness values of 15 to 45 GPa, depending on the type of metal or alloy being treated. The thick boride layers attained on steel components consisted of FeB, Fe 2 B, and Fe 3 B phases, and their hardness values ranged from 16 to 22 GPa. Layers consisting of Fe 2 B phase alone are also possible with this process, and in the case of nonferrous materials. Overall, because of the much superior property and performance improvements in treated products, much lower energy consumption, and nearly zero environmental waste and emissions, the demonstrated boriding technology may find broad applications in many cross-cutting industries. Mechanical wear, abrasion, erosion, corrosion, and scuffing are often life-limiting factors in mechanical systems that are used in manufacturing, transportation, aerospace, agricultural, earth-moving, and mining equipment; but the machine components treated by ultra-fast boriding can effectively prevent such degradations. In this project, the ultra-fast boriding was proven to be most ideal for the treatment of iron and many other ferrous alloys, like stainless steel. We have shown through our experimental studies that our method can also be used for the treatment of many nonferrous metals and alloys. In the case of superalloys and Ni 3 Al intermetallic materials, more than a 300-µm thick boride layer can be achieved with our boriding furnace within 15 to 30 min (which results in five times the hardness of the base materials). Pre-carburized steels and nonferrous alloys can also be treated by the new boriding technique. Overall, very thick (more than a quarter millimeter) and hard surface layers produced by ultra-fast boriding are expected to have a positive impact on the performance and durability of all types of machine components that are subject to corrosive, erosive, abrasive, and adhesive wear. Since the focus of our project was primarily on the large-scale boriding of ferrous materials, in this report, we will broadly cover the results from various ferrous materials that were used in our experiments. Another transformational feature of ultra-fast boriding is that it does not create any greenhouse gas emissions or solid and/or liquid wastes to deal with during or after the treatment; hence, it is an ultra-green technology (no need for expensive waste disposal and/or treatment facilities). It may eliminate the use of natural gas and other carbon-based fuels as the primary energy source in the heat treatment industry (which is the most common practice at present), thus, minimizing the CO 2 , NO x , CO, and SO x emissions that are generated in large quantities by current heat treatment practices. The main ingredient used during boriding is borax, which is a natural mineral. Our demonstrated and scaled-up technology can now be used in a wide range of manufacturing and transportation applications. It can deliver thick and uniform boride layers of more than 200 µm in steels, if needed, over the entire exposed surfaces — even in the very sharp corners or interior sections of workpieces (which are typical of gears, tools, pipes, and other components). Beneath the distinct boride layers is an equally-thick boron diffusion layer or zone, which is comparable to the diffusion zones achieved by carburizing and nitriding processes. In the cases of traditional boriding, nitriding, and/or carburizing methods, achieving such layer thickness and case depths would have taken several hours, and these surfaces would not have achieved the same levels of hardness and other desirable properties as they do with ultra-fast boriding. Some of the key stakeholders of ultra-fast boriding technology include companies that are active in heat-treatment, thermal-diffusion, and hard-coating processes; metal-forming, machining, and other manufacturing processes; and technologies related to transportation (including original equipment manufacturers for autos), mining and oil exploration, agricultural and heavy equipment. Bodycote Thermal Processing was the cost-sharing industrial partner and licensee in this project. They also provided test components and technical and commercial information pertaining to industrial components that are most suitable for ultra-fast boriding. Bodycote also coordinated some of the field tests and metallurgical examinations. Overall, ultra-fast boriding is a transformational technology that can complement, if not replace, many of the energy- and carbon-intensive surface treatment processes that are in use today, such as conventional boriding, carburizing, nitriding, carbo-nitriding, and physical and chemical vapor deposition. In our project, the developed technology was scaled-up and proven to be an ultra-green, ultra-efficient process that can drastically reduce costs, increase productivity, and improve the performance and reliability of machine components used in cross-cutting industrial applications.

Erdemir, Ali↗

Determination of the Contact Angle Based on the Casimir Effect

On a macroscopic scale, a nonreactive liquid partially covering a homogeneous solid surface will intersect the solid at an angle called the contact angle. For molten metals and semiconductors, the contact angle is materially dependent upon both the solid and liquid and typical values fall in the range 80-170 deg, depending on the crucible material. On a microscopic scale, there does not exist a precise and sharp contact angle but rather the liquid and solid surfaces merge smoothly and continuously. Consider the example of the so called detached Bridgman crystal growth process. In this technique, a small gap is formed between the growing crystal and the crucible. At the crystal/melt interface, a meniscus ring is formed. Its width can be in the range of a few micrometers, approaching a microscopic scale. It then becomes questionable to describe the shape of this meniscus by the contact angle. A more advanced treatment of the interface is needed and here we propose such a refined model. The interaction of the liquid surface with the solid can be calculated by considering two forces: a short-range repulsive force and a longer range (up to a few micrometers) Casimir or van der Waals force.

Mazuruk, Konstantin↗

Compositional Variation Tests on DuraMelter 100 with LAW Sub-Envelope C1 Feed (LAWC22) Glass in Support of the LAW Pilot Melter (Final Report)

The Vitreous State Laboratory at The Catholic University of America (VSL) is developing and testing glass formulations for RPP-WTP waste envelopes to provide data to meet the RPP-WTP contract requirements and to support system design activities. That work is based upon small-scale batch melts (“crucible melts”) using waste envelope simulants. Selected formulations have also been tested in small-scale continuously-fed joule-heated melters (DM10 and DM100 systems) and, ultimately, in the LAW Pilot Melter. Such melter tests provide information on key process factors such as feed processing behavior, dynamic effects during processing, sulfate incorporation, processing rates, off-gas amounts and compositions, foaming control, etc., that cannot be reliably obtained from crucible melts. This sequential scale-up approach in the vitrification testing program ensures that maximum benefit is obtained from the more costly pilot-scale tests and that the most effective use is made of that resource. The principal objective of the work described in this report was to collect the necessary small-scale melter test data with a LAW Sub-Envelope C1 waste simulant in order to support the next series of tests with the same melter feed on the LAW Pilot Melter. This work was conducted under a corresponding Test Specification and Test Plan.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A Deep Learning-Aided Workflow for Decoding the Stress Regime of Southern Nevada

The Rock Valley fault zone in southern Nevada has a notable history of seismic activity and is the site of a future direct comparison experiment of explosion and earthquake sources. This study aims to gain insight into regional tectonic processes by leveraging recent advances in seismic monitoring capabilities to elucidate the local stress regime. A crucial step in this investigation is the accurate determination of P-wave first-motion polarities, which play a vital role in resolving earthquake focal mechanisms of small earthquakes. Here, we deploy a deep learning-based method for automatic determination of first-motion polarities to vastly expand the polarity dataset beyond what has been reviewed by human analysts. By the integrating P-wave polarities with new measurements of S/P amplitude ratios, we obtain robust focal mechanism estimates for 1306 earthquakes with a local magnitude of 1 and above occurring between 2010 and 2023 in southern Nevada. We then use the focal mechanism catalog to examine the regional stress orientation, confirming an overall trans-tensional stress regime with smaller scale complexities illuminated by individual earthquake sequences. These findings demonstrate how detailed analyses of small earthquakes can provide fundamental information for understanding earthquake processes in the region and inform future experiments at the Nevada National Security Site.

58 GEOSCIENCES↗

Scale interactions and anisotropy in Rayleigh–Taylor turbulence

We study energy scale transfer in Rayleigh–Taylor (RT) flows by coarse graining in physical space without Fourier transforms, allowing scale analysis along the vertical direction. Two processes are responsible for kinetic energy flux across scales: baropycnal work Λ, due to large-scale pressure gradients acting on small scales of density and velocity; and deformation work Π, due to multiscale velocity. Our coarse-graining analysis shows how these fluxes exhibit self-similar evolution that is quadratic-in-time, similar to the RT mixing layer. We find that Λ is a conduit for potential energy, transferring energy non-locally from the largest scales to smaller scales in the inertial range where Π takes over. In three dimensions, Π continues a persistent cascade to smaller scales, whereas in two dimensions Π rechannels the energy back to larger scales despite the lack of vorticity conservation in two-dimensional (2-D) variable density flows. This gives rise to a positive feedback loop in 2-D RT (absent in three dimensions) in which mixing layer growth and the associated potential energy release are enhanced relative to 3-D RT, explaining the oft-observed larger α values in 2-D simulations. Despite higher bulk kinetic energy levels in two dimensions, small inertial scales are weaker than in three dimensions. Moreover, the net upscale cascade in two dimensions tends to isotropize the large-scale flow, in stark contrast to three dimensions. Furthermore, our findings indicate the absence of net upscale energy transfer in three-dimensional RT as is often claimed; growth of large-scale bubbles and spikes is not due to ‘mergers’ but solely due to baropycnal work Λ.

42 ENGINEERING↗

Kinetic simulations of plasmoid chain dynamics

The dynamics of a plasmoid chain is studied with three dimensional Particle-in-Cell simulations. The evolution of the system with and without a uniform guide field, whose strength is 1/3 the asymptotic magnetic field, is investigated. The plasmoid chain forms by spontaneous magnetic reconnection: the tearing instability rapidly disrupts the initial current sheet generating several small-scale plasmoids that rapidly grow in size coalescing and kinking. The plasmoid kink is mainly driven by the coalescence process. It is found that the presence of guide field strongly influences the evolution of the plasmoid chain. Without a guide field, a main reconnection site dominates and smaller reconnection regions are included in larger ones, leading to an hierarchical structure of the plasmoid-dominated current sheet. On the contrary in presence of a guide field, plasmoids have approximately the same size and the hierarchical structure does not emerge, a strong core magnetic field develops in the center of the plasmoid in the direction of the existing guide field, and bump-on-tail instability, leading to the formation of electron holes, is detected in proximity of the plasmoids.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

COMPLEX STRUCTURE IN CLASS 0 PROTOSTELLAR ENVELOPES. II. KINEMATIC STRUCTURE FROM SINGLE-DISH AND INTERFEROMETRIC MOLECULAR LINE MAPPING

We present a study of dense molecular gas kinematics in 17 nearby protostellar systems using single-dish and interferometric molecular line observations. The non-axisymmetric envelopes around a sample of Class 0/I protostars were mapped in the N{sub 2}H{sup +} (J = 1 {yields} 0) tracer with the IRAM 30 m, CARMA, and Plateau de Bure Interferometer, as well as NH{sub 3} (1,1) with the Very Large Array. The molecular line emission is used to construct line-center velocity and linewidth maps for all sources to examine the kinematic structure in the envelopes on spatial scales from 0.1 pc to {approx}1000 AU. The direction of the large-scale velocity gradients from single-dish mapping is within 45{sup 0} of normal to the outflow axis in more than half the sample. Furthermore, the velocity gradients are often quite substantial, the average being {approx}2.3 km s{sup -1} pc{sup -1}. The interferometric data often reveal small-scale velocity structure, departing from the more gradual large-scale velocity gradients. In some cases, this likely indicates accelerating infall and/or rotational spin-up in the inner envelope; the median velocity gradient from the interferometric data is {approx}10.7 km s{sup -1} pc{sup -1}. In two systems, we detect high-velocity HCO{sup +} (J = 1 {yields} 0) emission inside the highest-velocity N{sub 2}H{sup +} emission. This enables us to study the infall and rotation close to the disk and estimate the central object masses. The velocity fields observed on large and small scales are more complex than would be expected from rotation alone, suggesting that complex envelope structure enables other dynamical processes (i.e., infall) to affect the velocity field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗