Publications

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The PRO-X program is actively supporting the design of nuclear systems by developing a framework to both optimize the fuel cycle infrastructure for advanced reactors (ARs) and minimize the potential for production of weapons-usable nuclear material. Three study topics are currently being investigated by Sandia National Laboratories (SNL) with support from Argonne National Laboratories (ANL). This multi-lab collaboration is focused on three study topics which may offer proliferation resistance opportunities or advantages in the nuclear fuel cycle. These topics are: 1) Transportation Global Landscape, 2) Transportation Avoidability, and 3) Parallel Modular Systems vs Single Large System (Crosscutting Activity).

Uncertainty quantification (UQ) plays a major role in verification and validation for computational engineering models and simulations, and establishes trust in the predictive capability of computational models. In the materials science and engineering context, where the process-structure-property-performance linkage is well known to be the only road mapping from manufacturing to engineering performance, numerous integrated computational materials engineering (ICME) models have been developed across a wide spectrum of length-scales and time-scales to relieve the burden of resource-intensive experiments. Within the structure-property linkage, crystal plasticity finite element method (CPFEM) models have been widely used since they are one of a few ICME toolboxes that allows numerical predictions, providing the bridge from microstructure to materials properties and performances. Several constitutive models have been proposed in the last few decades to capture the mechanics and plasticity behavior of materials. While some UQ studies have been performed, the robustness and uncertainty of these constitutive models have not been rigorously established. In this work, we apply a stochastic collocation (SC) method, which is mathematically rigorous and has been widely used in the field of UQ, to quantify the uncertainty of three most commonly used constitutive models in CPFEM, namely phenomenological models (with and without twinning), and dislocation-density-based constitutive models, for three different types of crystal structures, namely face-centered cubic (fcc) copper (Cu), body-centered cubic (bcc) tungsten (W), and hexagonal close packing (hcp) magnesium (Mg). Our numerical results not only quantify the uncertainty of these constitutive models in stress-strain curve, but also analyze the global sensitivity of the underlying constitutive parameters with respect to the initial yield behavior, which may be helpful for robust constitutive model calibration works in the future.

In this LDRD we investigated the application of machine learning methods to understand dimensionality reduction and evolution of the Rayleigh-Taylor instability (RTI). As part of the project, we undertook a significant literature review to understand current analytical theory and machine learning based methods to treat evolution of this instability. We note that we chose to refocus on assessing the hydrodynamic RTI as opposed to the magneto-Rayleigh-Taylor instability originally proposed. This choice enabled utilizing a wealth of analytic test cases and working with relatively fast running open-source simulations of single-mode RTI. This greatly facilitated external collaboration with URA summer fellowship student, Theodore Broeren. In this project we studied the application of methods from dynamical systems learning and traditional regression methods to recover behavior of RTI ranging from the fully nonlinear to weakly nonlinear (wNL) regimes. Here we report on two of the tested methods SINDy and a more traditional regression-based approach inspired by analytic wNL theory with which we had the most success. We conclude with a discussion of potential future extensions to this work that may improve our understanding from both theoretical and phenomenological perspectives.

The purpose of this report is to document updates on the apparatus to simulate commercial vacuum drying procedures at the Nuclear Energy Work Complex at Sandia National Laboratories. Validation of the extent of water removal in a dry spent nuclear fuel storage system based on drying procedures used at nuclear power plants is needed to close existing technical gaps. Operational conditions leading to incomplete drying may have potential impacts on the fuel, cladding, and other components in the system during subsequent storage and disposal. A general lack of data suitable for model validation of commercial nuclear canister drying processes necessitates well-designed investigations of drying process efficacy and water retention. Scaled tests that incorporate relevant physics and well-controlled boundary conditions are essential to provide insight and guidance to the simulation of prototypic systems undergoing drying processes. This report documents a new test apparatus, the Advanced Drying Cycle Simulator (ADCS). This apparatus was built to simulate commercial drying procedures and quantify the amount of residual water remaining in a pressurized water reactor (PWR) fuel assembly after drying. The ADCS was constructed with a prototypic 17×17 PWR fuel skeleton and waterproof heater rods to simulate decay heat. These waterproof heaters are the next generation design to heater rods developed and tested at Sandia National Laboratories in FY20. This report describes the ADCS vessel build that was completed late in FY22, including the receipt of the prototypic length waterproof heater rods and construction of the fuel basket and the pressure vessel components. In addition, installations of thermocouples, emissivity coupons, pressure and vacuum lines, pressure transducers, and electrical connections were completed. Preliminary power functionality testing was conducted to demonstrate the capabilities of the ADCS. In FY23, a test plan for the ADCS will be developed to implement a drying procedure based on measurements from the process used for the High Burnup Demonstration Project. While applying power to the simulated fuel rods, this procedure is expected to consist of filling the ADCS vessel with water, draining the water with applied pressure and multiple helium blowdowns, evacuating additional water with a vacuum drying sequence at successively lower pressures, and backfilling the vessel with helium. Additional investigations are expected to feature failed fuel rod simulators with engineered cladding defects and guide tubes with obstructed dashpots to challenge the drying system with multiple water retention sites.

CTE (coefficient of thermal expansion) mismatch between two wafers has potential for brittle failure when large areas are bonded on top of one another (wafer to wafer or wafer to die bonds). To address this type of failure, we proposed patterning a polymer around metallic interconnects. For this project, utilized benzo cyclobutene (BCB) to form the bond and accommodate stress. For the metal interconnects, we used indium. To determine the benefits of utilizing BCB, mechanical shear testing of die bonding with just BCB were compared to die bonded just with oxide. These tests demonstrated that BCB, when cured for only 30 minutes and bonded at 200°C, the BCB was able to withstand shear forces similar to oxide. Furthermore, when the BCB did fail, it experienced a more ductile failure, allowing the silicon to crack, rather than shatter. To demonstrate the feasibility of using BCB between indium interconnects, wafers were pattered with layers of BCB with vias for indium or ENEPIG (electroless nickel, electroless palladium, immersion gold). Subsequently, these wafers were pattered with a variety of indium or ENEPIG interconnect pitches, diameters, and heights. These dies were bonded under a variety of conditions, and those that held a bond, were cross-sectioned and imaged. Images revealed that certain bonding conditions allow for interconnects and BCB to achieve a void-less bond and thus demonstrate that utilizing polymers in place of oxide is a feasible way to reduce CTE stress.

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). A high priority for SFWST disposal R&D is disposal system modeling (Sassani et al. 2021). The SFWST Geologic Disposal Safety Assessment (GDSA) work package is charged with developing a disposal system modeling and analysis capability for evaluating generic disposal system performance for nuclear waste in geologic media. This report describes fiscal year (FY) 2022 advances of the Geologic Disposal Safety Assessment (GDSA) performance assessment (PA) development groups of the SFWST Campaign. The common mission of these groups is to develop a geologic disposal system modeling capability for nuclear waste that can be used to assess probabilistically the performance of generic disposal options and generic sites. The modeling capability under development is called GDSA Framework (pa.sandia.gov). GDSA Framework is a coordinated set of codes and databases designed for probabilistically simulating the release and transport of disposed radionuclides from a repository to the biosphere for post-closure performance assessment. Primary components of GDSA Framework include PFLOTRAN to simulate the major features, events, and processes (FEPs) over time, Dakota to propagate uncertainty and analyze sensitivities, meshing codes to define the domain, and various other software for rendering properties, processing data, and visualizing results.

A key objective of the United States Department of Energy’s (DOE) Office of Nuclear Energy’s Spent Fuel and Waste Science and Technology (SFWST) Campaign is to better understand the technical basis, risks, and uncertainty associated with the safe and secure disposition of spent nuclear fuel (SNF) and high-level radioactive waste. Commercial nuclear power generation in the United States has resulted in thousands of metric tons of SNF, the disposal of which is the responsibility of the DOE (Nuclear Waste Policy Act of 1982, as amended). Any repository licensed to dispose of SNF must meet requirements regarding the long-term performance of that repository. For an evaluation of the long-term performance of the repository, one of the events that may need to be considered is the SNF achieving a critical configuration during the postclosure period. Of particular interest is the potential behavior of SNF in dualpurpose canisters (DPCs), which are currently licensed and being used to store and transport SNF but were not designed for permanent geologic disposal.

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy Office of Nuclear Energy, Office of Spent Fuel and Waste Disposition (SFWD), has been conducting research and development on generic deep geologic disposal systems (i.e., geologic repositories). This report describes specific activities in the Fiscal Year (FY) 2022 associated with the Geologic Disposal Safety Assessment (GDSA) Repository Systems Analysis (RSA) work package within the SFWST Campaign. The overall objective of the GDSA RSA work package is to develop generic deep geologic repository concepts and system performance assessment (PA) models in several host-rock environments, and to simulate and analyze these generic repository concepts and models using the GDSA Framework toolkit, and other tools as needed.

This document provides very basic background information and initial enabling guidance for computational analysts to develop and utilize GitOps practices within the Common Engineering Environment (CEE) and High Performance Computing (HPC) computational environment at Sandia National Laboratories through GitLab/Jacamar runner based workflows.

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