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FY21 Report on Activities for EBS International

This report summarizes the FY21 Activities for EBS International Collaborations Work Package. The international collaborations work packages aim to leverage knowledge, expertise, and tools from the international nuclear waste community, as deemed relevant according to SFWST “roadmap” priorities. This report describes research and development (R&D) activities conducted during fiscal year 2021(FY21) specifically related to the Engineered Barrier System (EBS) R&D Work Package in the Spent Fuel and Waste Science and Technology (SFWST) Campaign supported by the United States (U.S.) Department of Energy (DOE). It fulfills the SFWST Campaign deliverable M4SF- 21SN010308062. The R&D activities described in this report focus on understanding EBS component evolution and interactions within the EBS, as well as interactions between the host media and the EBS. A primary goal is to advance the development of process models that can be implemented directly within the Generic Disposal System Analysis (GDSA) platform or that can contribute to the safety case in some manner such as building confidence, providing further insight into the processes being modeled, establishing better constraints on barrier performance, etc. Sandia National Laboratories is participating in THM modeling in the international projects EBS Task Force and DECOVALEX 2023. EBS Task Force, Task 11 is on modeling of laboratory-scale High Temperature Column Test conducted at Lawrence Berkeley National Laboratory. DECOVALEX 2023, Task C is on THM modeling of the full-scale emplacement experiment (FE experiment) at the Mont Terri Underground Rock Laboratory, Switzerland. This report summarizes Sandia’s progress in the modeling studies of DECOVALEX 2023, Task C. Modeling studies related to the High Temperature Column Test will be documented in future reports.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

International Collaboration on Spent Fuel Disposition in Crystalline Media: FY17 Progress Report

Active participation in international R&D is crucial for achieving the Spent Fuel Waste Science & Technology (SFWST) long-term goals of conducting “experiments to fill data needs and confirm advanced modeling approaches” and of having a “robust modeling and experimental basis for evaluation of multiple disposal system options” (by 2020). DOE’s Office of Nuclear Energy (NE) has developed a strategic plan to advance cooperation with international partners. The international collaboration on the evaluation of crystalline disposal media at Sandia National Laboratories (SNL) in FY17 focused on the collaboration through the Development of Coupled Models and their Validation against Experiments (DECOVALEX-2019) project. The DECOVALEX project is an international research and model comparison collaboration, initiated in 1992, for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems. SNL has been participating in three tasks of the DECOVALEX project: Task A. Modeling gas injection experiments (ENGINEER), Task C. Modeling groundwater recovery experiment in tunnel (GREET), and Task F. Fluid inclusion and movement in the tight rock (FINITO).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Best Practice: The intersection of HPI and Work Planning and Control

The EFCOG Human Performance Improvement (HPI) Task Team (TT) and the Work Planning & Control (WP&C) TT collaborated to develop a Best Practice that provides examples of how to integrate of HPI into WP&C tasks. This document is a collection of some best practices as determined by team members.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Theoretical and Experimental Studies of Elementary Particle Physics

The elementary particle physics research program at Indiana University spans a broad range of the most interesting topics in this fundamental field, including important contributions to each of the frontiers identified in the recent report of HEPAP's Particle Physics Prioritization Panel: the Energy Frontier, the Intensity Frontier, and the Cosmic Frontier. Experimentally, we contribute to knowledge at the Energy Frontier through our work on the D0 and ATLAS collaborations. We work at the Intensity Frontier on the MINOS and NOvA experiments and participate in R&D for LBNE. We are also very active on the theoretical side of each of these areas with internationally recognized efforts in phenomenology both in and beyond the Standard Model and in lattice QCD. Finally, although not part of this grant, members of the Indiana University particle physics group have strong involvement in several astrophysics projects at the Cosmic Frontier. Our research efforts are divided into three task areas. The Task A group works on D0 and ATLAS; Task B is our theory group; and Task C contains our MINOS, NOvA, and LBNE (LArTPC) research. Each task includes contributions from faculty, senior scientists, postdocs, graduate and undergraduate students, engineers, technicians, and administrative personnel. This work was supported by DOE Grant DE-FG02-91ER40661. In the following, we describe progress made in the research of each task during the final period of the grant, from November 1, 2009 to April 30, 2013.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

G-Guidance Interface Design for Small Body Mission Simulation

The G-Guidance software implements a guidance and control (G and C) algorithm for small-body, autonomous proximity operations, developed under the Small Body GN and C task at JPL. The software is written in Matlab and interfaces with G-OPT, a JPL-developed optimization package written in C that provides G-Guidance with guaranteed convergence to a solution in a finite computation time with a prescribed accuracy. The resulting program is computationally efficient and is a prototype of an onboard, real-time algorithm for autonomous guidance and control. Two thruster firing schemes are available in G-Guidance, allowing tailoring of the software for specific mission maneuvers. For example, descent, landing, or rendezvous benefit from a thruster firing at the maneuver termination to mitigate velocity errors. Conversely, ascent or separation maneuvers benefit from an immediate firing to avoid potential drift toward a second body. The guidance portion of this software explicitly enforces user-defined control constraints and thruster silence times while minimizing total fuel usage. This program is currently specialized to small-body proximity operations, but the underlying method can be generalized to other applications.

Acikmese, Behcet↗

Model-based, in-situ, non-destructive qualification and certification of parts made by autonomous additive manufacturing

To address the significant productivity challenges associated with the qualification and certification (Q&C) tasks of additively manufactured (AM) parts, which have traditionally relied on rigorous post‐build inspection and testing, we propose an integrated framework that combines model‐based qualification and certification (MBQ&C) with autonomous additive manufacturing (AAM). MBQ&C employs high‐fidelity predictive models, developed within the Integrated Computational Materials Engineering (ICME) paradigm, to simulate process–structure–property–performance relationships for assessing a part’s fitness for use. Since predictive models are commonly machine learning (ML)-based or reduced-order surrogates of validated physics models, they run efficiently, enabling timely inference. In parallel, the self-driving AAM utilises ML-based adaptive, closed‐loop control strategies to avoid, mitigate, or repair defects and anomalies during fabrication, thereby increasing the likelihood of producing acceptable parts. A key feature of the combined AAM-MBQ&C framework is that predictive models explicitly incorporate defects or anomalies that persist after the build, using instance-specific data captured via in-situ sensing. This customisation enables a build‐specific assessment of fitness for use, rather than relying on nominal or generic parameters. Such individualised evaluation provides a robust basis for Q&C-related acceptance decisions relating to each build. Additionally, the rapid solution capabilities of ML or reduced-order models enable the determination of a part’s suitability for service shortly after build completion. As the framework matures, it has the potential to substantially reduce reliance on conventional point‐design approaches—such as time‐consuming post‐build computed tomography scanning and costly destructive testing. Thus, the AAM-MBQ&C framework represents a transformative, scalable strategy for quality assurance of AM components, as parts produced within a stable, validated, and certified envelope can be certified with reduced testing. Key benefits include: (1) significant gains in Q&C productivity through efficient, model-centric assessment; (2) performance-based classification of defects into critical and non-critical categories; (3) the ability to predict potential deviations in the performance of parts affected by real-time, adaptive process control interventions relative to those produced under a certified process, and (4) the enabling of virtual Q&C for service environments that are difficult, hazardous, or impractical to access or reproduce experimentally. Collectively, these capabilities strengthen the business case for AM, particularly for high‐consequence and mission‐critical applications. Finally, although this work focuses on powder-based AM, the proposed techniques could be extended to AM processes employing alternative feedstock forms.

Gunasegaram, Dayalan↗

Final Report for Research in High Energy Physics (University of Hawaii)

Here we present a final report for the DOE award for the University of Hawaii High Energy Physics Group (UHHEPG) for the period from December 1, 2009 to May 31, 2013 (including a period of no-cost extension). The high energy physics (HEP) group at the University of Hawaii (UH) has been engaged in experiments at the intensity frontier studying flavor physics (Task A: Belle, Belle-II and Task B: BES) and neutrinos (Task C: SuperK, LBNE, Double Chooz, DarkSide, and neutrino R&D). On the energy frontier, new types of pixel detectors were developed for upgrades of the ATLAS experiment at the LHC (Task D). On the cosmic frontier, there were investigations of ultra high-energy neutrino astrophysics and the highest energy cosmic rays using special radio detection techniques (Task E: AMBER, ANITA R\&D) and results of the analysis of ANITA data. In addition, we have developed new types of sophisticated and cutting edge instrumentation based on novel "oscilloscope on a chip'' electronics (Task F). Theoretical physics research (Task G) is phenomenologically oriented and has studied experimental consequences of existing and proposed new theories relevant to the energy, cosmic and intensity frontiers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Orbit transfer rocket engine technology program

An advanced near term (1990's) space-based Orbit Transfer Vehicle Engine (OTVE) system was designed, and the technologies applicable to its construction, maintenance, and operations were developed under Tasks A through F of the Orbit Transfer Rocket Engine Technology Program. Task A was a reporting task. In Task B, promising OTV turbomachinery technologies were explored: two stage partial admission turbines, high velocity ratio diffusing crossovers, soft wear ring seals, advanced bearing concepts, and a rotordynamic analysis. In Task C, a ribbed combustor design was developed. Possible rib and channel geometries were chosen analytically. Rib candidates were hot air tested and laser velocimeter boundary layer analyses were conducted. A channel geometry was also chosen on the basis of laser velocimeter data. To verify the predicted heat enhancement effects, a ribbed calorimeter spool was hot fire tested. Under Task D, the optimum expander cycle engine thrust, performance and envelope were established for a set of OTV missions. Optimal nozzle contours and quick disconnects for modularity were developed. Failure Modes and Effects Analyses, maintenance and reliability studies and component study results were incorporated into the engine system. Parametric trades on engine thrust, mixture ratio, and area ratio were also generated. A control system and the health monitoring and maintenance operations necessary for a space-based engine were outlined in Task E. In addition, combustor wall thickness measuring devices and a fiberoptic shaft monitor were developed. These monitoring devices were incorporated into preflight engine readiness checkout procedures. In Task F, the Integrated Component Evaluator (I.C.E.) was used to demonstrate performance and operational characteristics of an advanced expander cycle engine system and its component technologies. Sub-system checkouts and a system blowdown were performed. Short transitions were then made into main combustor ignition and main stage operation.

Gustafson, N. B.↗

A Low-cost, High-yield Process for the Direct Productin of High Energy Density Liquid Fuel from Biomass

The primary objective and outcome of this project was the development and validation of a novel, low-cost, high-pressure fast-hydropyrolysis/hydrodeoxygenation (HDO) process (H 2 Bioil) using supplementary hydrogen (H 2 ) to produce liquid hydrocarbons from biomass. The research efforts under the various tasks of the project have culminated in the first experimental demonstration of the H 2 Bioil process, producing 100% deoxygenated >C4+ hydrocarbons containing 36-40% of the carbon in the feed of pyrolysis products from biomass. The demonstrated H{sub 2}Bioil process technology (i.e. reactor, catalyst, and downstream product recovery) is scalable to a commercial level and is estimated to be economically competitive for the cases when supplementary H 2 is sourced from coal, natural gas, or nuclear. Additionally, energy systems modeling has revealed several process integration options based on the H 2 Bioilprocess for energy and carbon efficient liquid fuel production. All project tasks and milestones were completed or exceeded. Novel, commercially-scalable, high-pressure reactors for both fast-hydropyrolysis and hydrodeoxygenation were constructed, completing Task A. These reactors were capable of operation under a wide-range of conditions; enabling process studies that lead to identification of optimum process conditions. Model compounds representing biomass pyrolysis products were studied, completing Task B. These studies were critical in identifying and developing HDO catalysts to target specific oxygen functional groups. These process and model compound catalyst studies enabled identification of catalysts that achieved 100% deoxygenation of the real biomass feedstock, sorghum, to form hydrocarbons in high yields as part of Task C. The work completed during this grant has identified and validated the novel and commercially scalable H 2 Bioil process for production of hydrocarbon fuels from biomass. Studies on model compounds as well as real biomass feedstocks were utilized to identify optimized process conditions and selective HDO catalyst for high yield production of hydrocarbons from biomass. In addition to these experimental efforts, in Tasks D and E, we have developed a mathematical optimization framework to identify carbon and energy efficient biomass-to-liquid fuel process designs that integrate the use of different primary energy sources along with biomass (e.g. solar, coal or natural gas) for liquid fuel production. Using this tool, we have identified augmented biomass-to-liquid fuel configurations based on the fast-hydropyrolysis/HDO pathway, which was experimentally studied in this project. The computational approach used for screening alternative process configurations represents a unique contribution to the field of biomass processing for liquid fuel production.

09 BIOMASS FUELS↗

Participation in High Energy Physics at the University of Chicago

This report covers research at the University of Chicago in theoretical high energy physics and its connections to cosmology, over the period Nov. 1, 2009 to April 30, 2013. This research is divided broadly into two tasks: Task A, which covers a broad array of topics in high energy physics; and task C, primarily concerned with cosmology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Saint Joseph's University Institute for Environmental Stewardship

Task A: Examination of the physiological, morphological, and reproductive responses of Panicum virgatum (switchgrass) cultivars identified as potential biofuel producing cultivars as well as naturally-occurring varieties of switchgrass to projected changes in climate for the central portion of the United States. This project was a multi-year project set in a field site located at the Konza Prairie Biological Station near Manhattan, KS USA. The major objective of the study was to understand the physiological and growth responses of the important biofuel grass species, Panicum virgatum (switch grass) to simulated changes in precipitation expected for the Central Plains region of the United States. Population level adaptation to broad-scale regional climates or within-population variation in genome size of this genetically and phenotypically diverse C4 grass species may influence the responses to future precipitation variability associated with climate change. Therefore, we investigated switchgrass responses to water variability between natural populations collected across latitudinal gradient and populations. P. virgatum plants from natural populations originating from Kansas, Oklahoma, and Texas received frequent, small precipitation events (“ambient’) or infrequent, large precipitation events (‘altered”) to simulate contrasting rainfall variability expected from this region. We measured leaf-level physiology, aboveground biomass varied significantly by population origin but did not differ by genome size. Our results suggest that trait variation in P. virgatum is primarily attributed to population-level adaptation across latitudinal gradient, not genome size, and that neither population-level adaptation nor genome size may be important predictors of P. virgatum responses to future climatic conditions. Based solely on the data presented here, the most important consideration when deciding what varieties of switchgrass to cultivate for biofuel feedstocks under future climate scenarios is local adaptation and not necessarily genome size as has been hypothesized in the literature. Task B: Installation of an extensive green roof system on the Science Center at Saint Joseph's University for research, research-training and educational outreach activities. An experimental green roof system was designed and installed by an outside contractor (Roofmeadows) on the roof of the Science Center at Saint Joseph's University. The roof system includes four test plots, each with a different drainage system, instrumentation to monitor storm water retention, roof deck temperature, heat flux into and out of the building, rain fall, wind speed and direction, relative humidity and heat emission from the roof system. The vegetative roof was planted with 26 species of plants, distributed throughout the roof area, to assess species/variety growth and coverage characteristics, both in terms of the different drain layer systems, and in terms of the different exposures along the north to south axis of the building. Analysis of the drain layer performance, in terms of storm water retention, shows that the aggregate (stone) drainage layer system performed the best, with the moisture management mat system second, and the geotextile drain layer and reservoir sheet layer systems coming in last. This information is of value in the planning and design of vegetative roof systems since the different types of drainage layer systems have different installation costs and different weights. The different drainage layer systems also seem to be having an impact on plant growth and spread with the test plot with the reservoir sheet layer actually having the poorest plant coverage and plant spread of all areas of the roof studied. Plant growth performance analysis is ongoing, but significant differences have been observed in the third growing season ('13) along the north to south axis, with most species doing better towards the northern end of the roof (in terms of percent ground coverage and plant spread and reproduction). Interestingly, plant growth in all four of the test plots was reduced relative to the lower areas of the roof (the lower area was ca. 2 inches lower than the test plots, due to the space needed for sensors under the plots. The lower roof area uses an aggregate drain layer comparable to that in the third test plot), even when accounting for the north to south differences. The reasons for these differences are not clear and studies are underway to examine the impact of wind scour, drainage rates, temperature, and other factors. This information will be of value to planners of extensive vegetative roof systems in the Philadelphia (and broader) region, since plant growth and roof system overall performance is influenced by local climate, making broad generalizations of performance difficult. Task C: Education and community outreach efforts by the IES involving conferences at SJU, presentations by faculty and students off campus, and educational signage. The Institute for Environmental Stewardship hosted three storm water management workshops on the SJU campus in Philadelphia, in collaboration with the Lower Merion Conservancy, a not-for-profit organization located in Montgomery County, PA. These workshops were free and open to the public. The three workshops (held each year in March) drew more than 200 participants total. The presenters included local and state government agencies, not for profit organizations involved in storm water and open space preservation, designers, engineers, planners and others. Feedback was uniformly positive and we plan to continue the workshops for the foreseeable future. Educational signage has been installed at four locations on campus to explain campus infrastructure related to storm water (rain gardens, vegetative roof and green facades), as well as detailed signage installed on the Science Center roof for the vegetative roof system. More than 100 people (from in and outside of SJU) have thus far participated in tours of the roof system. A digital signage system has been installed in the adjacent library and this system provides information about the vegetative roof project and other efforts. A web camera system for the roof has also been installed and the video will be simulcast to the digital signage and with web site (www.sju.edu/ies) in the near future.

09 BIOMASS FUELS↗

International Collaborations Activities on Disposal in Argillite R&D: Bentonite Barrier Characterization Studies and Modeling Investigations

This interim report is an update of the report Jove Colon et al. (2019; M4SF-19SN010301091) describing international collaboration activities pertaining to FEBEX-DP and DECOVALEX19 Task C projects. Although work on these two international repository science activities is no longer continuing by the international partners, investigations on the collected data and samples is still ongoing. Descriptions of these underground research laboratory (URL) R&D activities are given in Jové Colón et al. (2018; 2019) but will repeated here for completeness. The 2019 status of work conducted at Sandia National Laboratories (SNL) on these two activities is summarized along with other international collaboration activities in Birkholzer et al. (2019).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Argillite Disposal R&D International Collaborations Interim Report (2019)

The following interim report describes updates to ongoing international collaboration activities pertaining the FEBEX-DP and DECOVALEX Task C projects. Descriptions of these underground research laboratory (URL) activities are given in Jové Coke et al. (2018) but will repeated here for completeness. The 2018 status of work conducted at Sandia National Laboratories (SNL) on these two activities has been described in Jové Coke et al. (2018) and were summarized along with other international collaboration activities in Birkholzer et al. (2018).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

M4 Summary of EBS International

Thermal-Hydrologic-Mechanical (THM) modeling of DECOVALEX 2023, Task C has continued. In FY2022 the simulations have progressed to Step 1, which is on 3-D modeling of the full-scale emplacement experiment at the Mont Terri Underground Rock Laboratory (Nagra, 2019). This report summarizes progress in Thermal-Hydrologic (TH) modeling of Step 1. THM modeling will be documented in future reports.

42 ENGINEERING↗

M4 Summary of EBS International Activity

Thermal-Hydrologic (TH) modeling of DECOVALEX 2023, Task C has continued in FY23. This report summarizes progress in TH modeling of Step 1c, with calibration modeling and the addition of shotcrete. The work involves 3-D modeling of the full-scale emplacement experiment at the Mont Terri Underground Rock Laboratory (Nagra, 2019). While Step 1 is focused on modeling the heating phase of the FE experiment with changes in pore pressure in the Opalinus clay resulting from heating, Step 1c is focused on calibration of models using available data.

36 MATERIALS SCIENCE↗

Small Body GN&C Research Report: A G-Guidance Enhancement to Increase Mission Functionality

G-Guidance is a robust G&C (guidance and control) algorithm developed under the small-body GN&C task. The G-Guidance scheme utilizes a model predictive control approach, along with a convexification of the governing dynamics, control constraints, and trajectory/state constraints. This report details an enhancement to the FY2005 G-Guidance algorithm; the addition of a fire-second approach helps to nullify velocity errors and hit desired final velocities much more precisely than the original Fire-first scheme developed in FY2005. The enhancement preserves the primary benefit of the algorithm, which is to ensure required thruster silent times during trajectory maneuvers. The fire-second scheme increases the versatility of the algorithm for missions employing G-Guidance. For instance, a landing sequence could employ the fire-second scheme to ensure a null final velocity at landing, whereas an ascent sequence could utilize a fire-first scheme to ensure there is no drift of the spacecraft toward the ground at the beginning of the maneuver. Examples are provided within to demonstrate a fire-first versus fire-second guidance scheme. As in the existing G-Guidance algorithm, the examples and schemes incorporate gravity models and thruster firing times into discrete dynamics that are solved as a optimal control problem to minimize fuel consumption or thruster energy expenditure.

velocity errors↗

NASA’s Orbital Debris Optical Program: ES-MCAT Nearing Full Operational Capability (FOC)

The NASA JAO/ES-MCAT (Eugene Stansbery Meter Class Autonomous Telescope) Facility is nearing Full Operational Capability, or FOC. ES-MCAT is now fully capable of autonomously running all observations, including: (a) monitoring weather and closing when conditions are not safe, as well as halting observations when conditions are not suitable (e.g. too cloudy) for operations, (b) start-up/shut-down nightly tasking, (c) collecting calibration data and survey or TLE-tracked data, and (d) processing all collected data, including on-chip photometry and astrometry calibrations using the GAIA star catalogue. The processed data are then further analyzed at NASA Johnson Space Center to correlate detections with known objects in the Space Surveillance Network (SSN) catalogue. MCAT can collect data of specific objects with known orbits or can search for objects with orbits similar to those of spacecraft or rocket bodies that have recently broken up. However, the primary goal for ES-MCAT is to survey the geosynchronous (GEO) belt to provide a statistical sample of the GEO debris environment for both engineering models for spacecraft designers and long-term environment evolutionary purposes. The approach for sweeping the sky to statistically survey GEO has been investigated and updated from past surveys taken by NASA and will be reported, herein referred to as the Candy Cane method. ES-MCAT’s optical performance and the limiting magnitude for the full optical system will be discussed. An analysis used to determine which filter to use for GEO surveys (SDSS r′) includes combining the reflectivity of the primary and secondary mirrors, transmission of the field corrector and CCD window, and the quantum efficiency of the CCD detector, resulting in throughput of the full optical path. This throughput is then combined with the expected typical transparency of the atmosphere at ES-MCAT’s altitude/location for the Sloan Digital Sky Survey (SDSS) g′r′i′z′ and Johnson/Kron-Cousins BVRI filters to yield expected relative throughput.

S. M. Lederer↗