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DOE OSTI2025

Flux-Closure Domain Structures in Ferroelectric K 0.5 Na 0.5 NbO 3 Thin Films

Topological domain structures in ferroelectric materials have garnered increasing attention due to their intriguing physical properties and promising applications. While most existing topological structures in ferroelectric perovskite oxides originate from tetragonal or rhombohedral bulk phases, much less is understood about their counterparts in orthorhombic ferroelectrics. Here, in this work, we employ ferroelectric K 0.5 Na 0.5 NbO 3 (KNN) thin films as a model system and leverage phase-field simulations to theoretically predict the static structures and dynamic behaviors of three types of flux-closure domain configurations: in-plane (Type-I), out-of-plane (Type-II), and superdomain (Type-III) flux-closure structures. We systematically investigate the effects of finite size, misfit strains, and electrical boundary conditions on the formation and switching of these topological structures. For the Type-I structure, size reduction or small misfit strain facilitates a transition of the flux-closure pattern to polar vortices. Type-II structures emerge under open-circuit electrical boundary conditions of the film, forming at the junctions of specific domain walls with the film surface or the film–substrate interface. The formation mechanisms of these two flux-closure structures are rationalized from an energy perspective. We demonstrated switching capabilities of Type-II and Type-III structures by obtaining polarization–electric field hysteresis loops. Our simulations also reveal a reversible electric-field-induced transition between the orthorhombic and rhombohedral ferroelectric phases with a checkerboard domain pattern, during which the integrity of the flux-closure structure is preserved. These findings provide theoretical insights and practical guidance for identifying and manipulating topological structures in low-symmetry ferroelectrics, paving the way for developing energy-efficient microelectronic devices based on topological structures.

P-E loop↗

DOE OSTI2023

A New Hybrid Mass-Flux/High-Order Turbulence Closure for Ocean Vertical Mixing

While various parameterizations of vertical turbulent fluxes at different levels of complexity have been proposed, each has its own limitations. For example, simple first-order closure schemes such as the K-Profile Parameterization (KPP) lack energetic constraints; two-equation models $k-ε$ like directly solve an equation for the turbulent kinetic energy but do not account for non-diffusive fluxes, and high-order closures that include the high-order transport terms are computationally expensive. To address these, we extend the Assumed-Distribution Higher-Order Closure (ADC) framework originally proposed for the atmospheric boundary layer and apply it to the ocean surface boundary layer. By assuming a probability distribution function relationship between the vertical velocity and tracers, all second-order and higher-order moments are exactly constructed and turbulence closure is achieved in the ADC scheme. In addition, this ADC parameterization has full energetic constraints and includes non-diffusive fluxes without the computational cost of a full higher-order closure scheme. We have tested the ADC scheme against a combination of large eddy simulation (LES), KPP, and $k-ε$ for surface buoyancy-driven convective mixing and found that the ADC scheme is robust with different vertical resolutions and compares well to the LES results.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Closure theory for high-collisionality multi-ion plasmas

A general formalism is developed to construct and solve a system of linearized moment equations for parallel and perpendicular closures in high-collisionality plasmas. It is applicable for multiple ion species with arbitrary masses, temperatures, charges, and densities. The convergence of closure coefficients is evaluated by increasing the number of moments from 2 to 32 for scalar, vector, and rank-2 tensor moments. As an example, the complete set of closure coefficients for a deuterium-carbon plasma over the entire Hall parameter range is presented. Furthermore, the closure coefficients at various temperature ratios show that the one-temperature closure coefficients can differ significantly from the two-temperature coefficients.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2012

Post-Closure Inspection Report for the Tonopah Test Range, Nevada, For Calendar Year 2011

This report provides the results of the annual post-closure inspections conducted at the closed Corrective Action Units (CAUs) located on the Tonopah Test Range (TTR), Nevada. This report covers calendar year 2011 and includes inspection and repair activities completed at the following CAUs: (1) CAU 400: Bomblet Pit and Five Points Landfill (TTR); (2) CAU 407: Roller Coaster RadSafe Area (TTR); (3) CAU 424: Area 3 Landfill Complexes (TTR); (4) CAU 453: Area 9 UXO Landfill (TTR); and (5) CAU 487: Thunderwell Site (TTR) Inspections were conducted according to the post-closure plans in the approved Closure Reports. The post-closure inspection plan for each CAU is included in Appendix B. The inspection checklists are included in Appendix C, field notes are included in Appendix D, and photographs taken during inspections are included in Appendix E. The annual post-closure inspections were conducted May 3 and 4, 2011. Maintenance was performed at CAU 424, CAU 453, and CAU 487. At CAU 424, two surface grade monuments at Landfill Cell A3-3 could not be located during the inspection. The two monuments were located and marked with lava rock on July 13, 2011. At CAU 453, there was evidence of animal burrowing. Animal burrows were backfilled on July 13, 2011. At CAU 487, one use restriction warning sign was missing, and wording was faded on the remaining signs. A large animal burrow was also present. The signs were replaced, and the animal burrow was backfilled on July 12, 2011. As a best management practice, the use restriction warning signs at CAU 407 were replaced with standard Federal Facility Agreement and Consent Order signs on July 13, 2011. Vegetation monitoring was performed at the CAU 400 Five Points Landfill and CAU 407 in June 2011, and the vegetation monitoring report is included in Appendix F.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2012

Interim Status Closure Plan Open Burning Treatment Unit Technical Area 16-399 Burn Tray

This closure plan describes the activities necessary to close one of the interim status hazardous waste open burning treatment units at Technical Area (TA) 16 at the Los Alamos National Laboratory (LANL or the Facility), hereinafter referred to as the 'TA-16-399 Burn Tray' or 'the unit'. The information provided in this closure plan addresses the closure requirements specified in the Code of Federal Regulations (CFR), Title 40, Part 265, Subparts G and P for the thermal treatment units operated at the Facility under the Resource Conservation and Recovery Act (RCRA) and the New Mexico Hazardous Waste Act. Closure of the open burning treatment unit will be completed in accordance with Section 4.1 of this closure plan.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2012

Closure Report for Corrective Action Unit 548: Areas 9, 10, 18, 19, and 20 Housekeeping Sites, Nevada National Security Site, Nevada

This Closure Report (CR) documents closure activities for Corrective Action Unit (CAU) 548, Areas 9, 10, 18, 19, and 20 Housekeeping Sites, and complies with the Federal Facility Agreement and Consent Order (FFACO) that was agreed to by the State of Nevada; the U.S. Department of Energy (DOE), Environmental Management; the U.S. Department of Defense; and DOE, Legacy Management (FFACO, 1996 as amended). CAU 548 consists of the following Corrective Action Sites (CASs), located in Areas 9, 10, 12, 18, 19, and 20 of the Nevada National Security Site: · CAS 09-99-02, Material Piles (2) · CAS 09-99-04, Wax, Paraffin · CAS 09-99-05, Asbestos, Vermiculite · CAS 09-99-07, Tar Spill · CAS 10-22-02, Drums · CAS 10-22-05, Gas Block · CAS 10-22-07, Gas Block · CAS 10-22-34, Drum · CAS 10-22-38, Drum; Cable · CAS 12-99-04, Epoxy Tar Spill · CAS 12-99-08, Cement Spill · CAS 18-14-01, Transformers (3) · CAS 19-22-01, Drums · CAS 19-22-11, Gas Block (2) · CAS 19-44-01, Fuel Spill · CAS 20-22-07, Drums (2) · CAS 20-22-09, Drums (3) · CAS 20-22-14, Drums (2) · CAS 20-22-16, Drums (2) · CAS 20-24-09, Battery Closure activities began in July 2011 and were completed in December 2011 and included removal and disposal of material piles, spills, sanitary debris, a lead acid battery, lead and steel shot, and stained soil. Activities were conducted according to the Sectored Clean-up Work Plan for Housekeeping Category Waste Sites (U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office [NNSA/NSO], 2003). Closure activities generated sanitary waste, hydrocarbon waste, low-level waste, hazardous waste, and mixed waste. Some wastes exceeded land disposal limits and required offsite treatment prior to disposal. Other wastes met land disposal restrictions and were disposed in appropriate onsite or offsite landfills. NNSA/NSO requests the following: · A Notice of Completion from the Nevada Division of Environmental Protection to NNSA/NSO for closure of CAU 548 · The transfer of CAU 548 from Appendix III to Appendix IV, Closed Corrective Action Units, of the FFACO

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

Post-Closure Inspection Report for the Tonopah Test Range, Nevada, for Calendar Year 2014

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Post-Closure Inspection Report for the Tonopah Test Range, Nevada. For Calendar Year 2015, Revision 0

This report provides the results of the annual post-closure inspections conducted at the closed corrective action units (CAUs) located on the Tonopah Test Range (TTR), Nevada. This report covers calendar year 2015 and includes inspection and repair activities completed at the following CAUs; CAU 400: Bomblet Pit and Five Points Landfill (TTR); CAU 407: Roller Coaster RadSafe Area (TTR); CAU 424: Area 3 Landfill Complexes (TTR); CAU 453: Area 9 UXO Landfill (TTR); and CAU 487: Thunderwell Site (TTR) Inspections were conducted according to the post-closure plans in the approved closure reports and subsequent correspondence with the Nevada Division of Environmental Protection. The post-closure inspection plans and subsequent correspondence modifying the requirements for each CAU are included in Appendix B. The inspection checklists are included in Appendix C. Field notes are included in Appendix D. The annual post-closure inspections were conducted on May 12, 2015. Maintenance was required at CAU 453. Cracking along the north trench was repaired. One monument is missing at CAU 424; it will be replaced in 2016. Postings at CAUs 407, 424, 453, and 487 contain contact information for TTR Security. It was noted that protocols may not be in place to ensure that the U.S. Department of Energy, National Nuclear Security Administration Nevada Field Office (NNSA/NFO) is notified if access is needed at these sites. NNSA/NFO is working with the U.S. Air Force and Sandia to determine whether more appropriate contact information or new protocols are warranted for each CAU. Based on these inspections, there has not been a significant change in vegetation, and vegetation monitoring was not recommended at CAU 400 or CAU 407 in 2015.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

Taking Closure to the Next Level - 13030

The River Corridor Closure Project (RCCP) is the Hanford Site's first closure project and when it is complete, in 2015, it will have cleaned up 220 mi{sup 2} of contaminated land adjacent to the Columbia River. Washington Closure Hanford (WCH) was selected by the DOE to manage the removal and cleanup of Hanford's nuclear legacy along the River Corridor. Work began in 2005 and is now more than 85% complete with more than 2 years left in the contract. A Closure Team was commissioned in December 2009 and has since issued a closure strategy and a disciplined three-phase approach to transition land parcels to DOE, Richland Operations Office (DOE-RL) as cleanup is completed. This process supports DOE-RL objectives for progressive footprint reduction based on the division of the River Corridor into geographical land parcels. It also allows for incremental area-by-area transition and turnover to the Long-Term Stewardship program. Several important milestones stand between now and the successful end of the RCCP. They include overall funding impacts, working with DOE-RL on new scope additions, meeting regulatory milestones, and maintaining a strong safety performance. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2013

An Initial Evaluation of Characterization and Closure Options for Underground Pipelines within a Hanford Site Single-Shell Tank Farm - 13210

The Hanford Site includes 149 single-shell tanks, organized in 12 'tank farms,' with contents managed as high-level mixed waste. The Hanford Federal Facility Agreement and Consent Order requires that one tank farm, the Waste Management Area C, be closed by June 30, 2019. A challenge to this project is the disposition and closure of Waste Management Area C underground pipelines. Waste Management Area C contains nearly seven miles of pipelines and 200 separate pipe segments. The pipelines were taken out of service decades ago and contain unknown volumes and concentrations of tank waste residuals from past operations. To understand the scope of activities that may be required for these pipelines, an evaluation was performed. The purpose of the evaluation was to identify what, if any, characterization methods and/or closure actions may be implemented at Waste Management Area C for closure of Waste Management Area C by 2019. Physical and analytical data do not exist for Waste Management Area C pipeline waste residuals. To develop estimates of residual volumes and inventories of contamination, an extensive search of available information on pipelines was conducted. The search included evaluating historical operation and occurrence records, physical attributes, schematics and drawings, and contaminant inventories associated with the process history of plutonium separations facilities and waste separations and stabilization operations. Scoping analyses of impacts to human health and the environment using three separate methodologies were then developed based on the waste residual estimates. All analyses resulted in preliminary assessments, indicating that pipeline waste residuals presented a comparably low long-term impact to groundwater with respect to soil, tank and other ancillary equipment residuals, but exceeded Washington State cleanup requirement values. In addition to performing the impact analyses, the assessment evaluated available sampling technologies and pipeline removal or treatment technologies. The evaluation accounted for the potential high worker risk, high cost, and schedule impacts associated with characterization, removal, or treatment of pipelines within Waste Management Area C for closure. This assessment was compared to the unknown, but estimated low, long-term impacts to groundwater associated with remaining waste residuals should the pipelines be left 'as is' and an engineered surface barrier or landfill cap be placed. This study also recommended that no characterization or closure actions be assumed or started for the pipelines within Waste Management Area C, likewise with the premise that a surface barrier or landfill cap be placed over the pipelines. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2013

How the Lean Management System is Working on a Closure Project - 13242

Washington Closure Hanford, LLC (WCH) manages the River Corridor Closure Project (RCCP), a 10-year contract, in which WCH will clean up 220 mi{sup 2} of contaminated land at the Hanford Site in Richland, Washington. Strategic planning sessions in 2009 identified key performance areas that were essential to closure and in which focused change could result in dramatic performance improvement. Lean Management Systems (Lean) was selected as the methodology to achieve the desired results. The Lean Process is built upon the fundamentals of the power of respect for people and the practice of continuous process improvement. Lean uses week-long, focused sessions that teach a selected team the techniques to recognize waste within their own work processes, propose potential solutions, and then conduct experiments during the week to test their solutions. In 2011, the Lean process was implemented in the Waste Operations organization. From there it was expanded to closure documents, field remediation, and decommissioning and demolition. WCH identified the following Lean focus areas: 1) closure document processes that required extensive internal preparation, and lengthy external review and approval cycles; 2) allocation of limited transportation and waste disposal resources to meet aggressive remediation schedules; 3) effective start-of-the-day routines in field operations; 4) improved excavation and load-out processes; and 5) approaches to strengthen safety culture and support disciplined operations. Since the introduction of Lean, RCCP has realized many successes and also gained some unexpected benefits. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

Grout testing to support tank closure at the Savannah River Site - 15370

Final operational closure of the Savannah River Site (SRS) waste tanks is performed by filling the voids inside the tanks with a series of tailored grout formulas thereby stabilizing the remaining residuals. These tailored grout formulas were each developed to meet the demands of the closure process. The needs identified for the closure process include (1) a flowable, self-consolidating, reducing grout for tank fill, (2) a highly flowable grout capable of filling the 7-1/4 kilometers (4-1/2 miles) of 5-centimeter (2-inch) diameter cooling coils inside the tank, and (3) a highly flowable grout capable of filling equipment remaining in the tank. The specific characteristics of each of the grout formulations were tested to ensure they would function as required during implementation. Performance testing was also done on some of the grout formulations to confirm mix effectiveness and improve worker handling proficiency and conducted additional testing on the bulk fill grout to expand the placement capabilities of the grout. This paper focuses on the evolution of the closure process' identified needs, formulation development, and the subsequent testing of the tailored grout formulations utilized in the past tank closure processes at SRS. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

Evaluating convective parameterization closures using cloud‐resolving model simulation of tropical deep convection

Abstract Closure is an important component of a mass flux‐based convective parameterization scheme, and it determines the amount of convection with the aid of a large‐scale variable (closure variable) that is sensitive to convection. In this study, we have evaluated and quantified the relationship between commonly used closure variables and convection for a range of global climate model (GCM) horizontal resolutions, taking convective precipitation and mass flux at 600 hPa as measures for deep convection. We have used cloud‐resolving model simulation data to create domain averages representing GCM horizontal resolutions of 128 km, 64 km, 32 km, 16 km, 8 km, and 4 km. Lead‐lag correlation analysis shows that except moisture convergence and turbulent kinetic energy, none of the other closure variables evaluated in this study show any relationship with convection for the six subdomain sizes. It is found that the correlation between moisture convergence and convective precipitation is largest when moisture convergence leads convection. This correlation weakens as the subdomain size decreases to 8 km or smaller. Although convective precipitation and mass flux increase with moisture convergence at a given subdomain size, as the subdomain size increases, the rate at which they increase becomes smaller. This suggests that moisture convergence‐based closure should scale down the predicted mass flux for a given moisture convergence as GCM resolution increases.

Suhas, E.↗

DOE OSTI2019

Closure of Internal Porosity in Continuous Casting Bloom During Heavy Reduction Process

To investigate the closure behavior of internal porosity (also referred to as internal void) in continuous casting bloom during heavy reduction (HR) and thus provide theoretical guidance for minimizing this kind of internal defect more effectively with HR, a three-dimensional (3D) mechanical model was developed based on the predicted temperature field by a 2D heat transfer model. With this 3D mechanical model, closure behaviors of internal porosity in continuous casting bloom during HR at and after the strand solidification end under different process conditions were numerically studied. It was found that the void axis length decreased significantly along the bloom thickness direction and increased slightly along the casting and bloom width directions after HR, and the influence of the initial void size on the void closure was not obvious. With a decrease of temperature difference between the bloom surface and center, HR efficiency for minimizing internal void decreased, while the required reduction force significantly increased. Compared with blooms with a uniform temperature distribution of 1100 °C, the void closure index after HR implemented at the strand solidification end was increased by ~ 25 pct. Compared with a conventional flat roll, the application of a convex roll during HR could contribute to minimizing the internal porosity more effectively and significantly enhance the reduction capacity of the withdrawal and straightening units. The void closure index of η{sub s} and η{sub v} (where η{sub s} and η{sub v} were defined based on the variation of the void aspect ratio and the void volume, respectively) was closely related to the equivalent strain (ε{sub eq}) and the hydrostatic integration parameter (Q), respectively, and two mathematical equations were derived to quantitatively describe the relationship of η{sub s} − ε{sub eq} and η{sub v} − Q.

36 MATERIALS SCIENCE↗

DOE OSTI2022

SAM-ML: Integrating data-driven closure with nuclear system code SAM for improved modeling capability

Advanced reactors often involve complicated thermal-fluid (T-F) phenomena. Modeling such phenomena with the traditional one-dimensional (1-D) system code is a challenging task. The System Analysis Module (SAM), a modern nuclear system code, has developed a coarse mesh multi-dimensional (multi-D) flow model to capture the spatial effect of T-F phenomena in advanced reactors. As a coarse mesh solver, constitutive relations are required for SAM's multi-D model for unresolved fine-scale physics, such as turbulence. Here this work presents a novel approach that integrates neural networks as data-driven closure for SAM's multi-D flow model. The data-driven closure is trained with fine-resolution data to ensure its accuracy while maintaining a coarse mesh setup to ensure its efficiency and consistency with SAM. We demonstrate the applicability of this SAM-ML capability in an open volume thermal stratification problem, where a neural network model serves as the eddy viscosity closure. A customized interface between the neural network and SAM is developed to ensure flexible and efficient data exchange. The SAM-ML results demonstrate superior performance compared to SAM's built-in zero-equation eddy viscosity closure. The case study shows that although the generalization capability of the data-driven closure still needs to be improved for different transient case or different geometric setup, SAM -ML demonstrates good potential for challenging simulation problems with improved accuracy and computational efficiency.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Implications of a weakening N = 126 shell closure away from stability for r -process astrophysical conditions

The formation of the third r-process abundance peak near A ∼ 195 is highly sensitive to both nuclear structure far from stability and the astrophysical conditions that produce the heaviest elements. In particular, the N = 126 shell closure plays a crucial role in shaping this peak. Experimental data hints that the shell weakens as proton number departs from Z = 82, a trend largely missed by global mass models. To investigate its impact on r-process nucleosynthesis, we employ both standard global models with strong closures and modified Duflo-Zuker (DZ) models that reproduce the weakening, combined with three sets of β − -decay rates. Strong shell closures generate sharply peaked abundances, whereas weakened closures consistent with the experimental trend produce broader, flatter patterns. Accurately reproducing the solar third peak under weakened shell strength requires sufficiently neutron-rich conditions that significant fission occurs, and slower decay rates. These results demonstrate that a weakening N = 126 shell closure away from stability imposes significant constraints on the astrophysical environments of the r-process and underscores the need for precise mass measurements and improved characterization of β − -decay properties in this region.

N = 126 closed shells↗

DOE OSTI2020

Assessing CLUBB PDF Closure Assumptions for a Continental Shallow-to-Deep Convective Transition Case Over Multiple Spatial Scales

Assumed-PDF (probability density function) higher-order turbulence closures (APHOCs) are now widely used for parameterizing boundary layer turbulence and shallow convection in Earth system models (ESMs). A better understanding of the resolution-dependent behavior of APHOCs is essential for improving the performance of next-generation ESMs with intended horizontal resolutions finer than 10 km. In this study, we evaluate the PDF family of Analytic double-Gaussian 1 implemented in Cloud Layers Unified By Binormals (CLUBB) over a range of spatial scales (Dx) from 2 to 100 km. A 120-km-wide large eddy simulation (LES) for a continental convection case during 2016 Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecosystems (HI-SCALE) field campaign serves as benchmark to evaluate the PDF closure using an off-line approach. We find during the shallow convection period, the CLUBB PDF closure tends to produce positive biases of cloud properties and liquid water flux near cloud base for all scales of analysis. It produces negative biases for these variables near cloud top that are more severe for Dx larger than 25 km. Results show that replacing the CLUBB-parameterized moisture and temperature skewnesses with LES-derived ones can fix most of the biases if clipping of input moments is allowed to prevent the occurrence of unrealizable solutions. Overall, the performance of the PDF closure is better for smaller Dx = 2–5 km than for larger Dx = 50–100 km; for a given grid spacing, it is better when the convective clouds become deeper in the late afternoon. Likely causes for the resolution dependence and implications for improving the PDF closure are discussed.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Variable-moment fluid closures with Hamiltonian structure

Abstract Based on ideas due to Scovel–Weinstein, I present a general framework for constructing fluid moment closures of the Vlasov–Poisson system that exactly preserve that system’s Hamiltonian structure. Notably, the technique applies in any space dimension and produces closures involving arbitrarily-large finite collections of moments. After selecting a desired collection of moments, the Poisson bracket for the closure is uniquely determined. Therefore data-driven fluid closures can be constructed by adjusting the closure Hamiltonian for compatibility with kinetic simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗