Publications

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

We present an expression for the spectral gap, opening up new possibilities for performing and accelerating spectral calculations of quantum many-body systems. We develop and demonstrate one such possibility in the context of tensor network simulations. Our approach requires only minor modifications of the widely used simple update method and is computationally lightweight relative to other approaches. We validate it by computing spectral gaps of the 2D and 3D transverse-field Ising models and find strong agreement with previously reported perturbation theory results.

Abstract not provided.

Abstract not provided.

Deep geologic disposal of multiple nuclear waste packages with various heat sources can induce nonuniform hydro-thermal behaviors in the near-field of the repository, consequently influencing the long-term radionuclide transport in the far-field once waste form breach initiates. This study looks into three cases with variation in the spatial order of six groups of heat sources (10th, 50th, 75th, 90th, 95th, and 99th percentiles of heat outputs generated from 1,981 as-loaded dual-purpose canisters in the field site) in a shale-hosted repository with respect to the uni-directional groundwater flow (from west to east): (1) cooler waste packages from west to east, (2) hotter waste packages from west to east, and (3) hottest waste packages in the middle of the repository. Our field-scale PFLOTRAN simulation represents heat-driven multiphysics coupled mechanisms, including multiphase flow, heat transfer, and chemical/radioactive transport, and also, calculates the onset of waste form breach based on temperature-dependent canister vitality. The results from this sensitivity study will quantify the short- (less than 1 × 103 years) and long-term (up to 1 × 106 years) impacts of sporadic heat pulses from waste package on the spatio-temporal perturbation in hydro-thermal flow quantities and the rate of radionuclide transport in both near- and far-field of the repository system.

Abstract not provided.

Abstract: The tetrahedron, as the simplest platonic shape, is a profound building block with the potential to create intricate superstructures. Noteworthy designs utilizing tetrahedral building blocks include the Sierpiński tetrahedron (the most fundamental three-dimensional fractal), a one-dimensional helical structure known as the tetrahelix, and various crystalline and quasicrystalline packings. Historically, the practicality of tetrahedral superstructures has been evident, providing stable, well-defined frameworks for various constructions, including truss bridges, tower cranes, and electricity transmission line pylons. In the field of self-assembled nanocrystal superlattices, tetrahedral nanocrystals, as building blocks, occupy a unique place among all the possible nanoscale particles. Mathematical models, simulation work, and experimental studies using nanocrystals in the laboratory have suggested that self-assembled structures derived from nanoscale tetrahedral building blocks are notably intricate, giving rise to new horizons of high-entropy nanocrystal superlattices. An important implication from previous works is that such tetrahedral nanocrystal superlattices form through highly delicate interparticle interactions, emphasizing the importance of the fine features of these nanocrystals. In this article, we summarize the advances in superlattices assembled from tetrahedral nanocrystals. We first define the tetrahedron and tetrahedron analogues based on Conway’s transformation and graph theory, underscoring their relevance to the crystallization process producing tetrahedral nanocrystals. Then, we showcase previous reports on the synthesis of tetrahedral nanocrystals and the resulting nanocrystal superstructures. Finally, we conclude by offering insights and perspective into the chemical and architectural intricacy that could emerge from tetrahedral nanocrystals. Graphical abstract: (Figure presented.).

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

A clear definition of system dynamics modeling can provide shared understanding and clarify the impact of the field. We introduce a set of characteristics that define quantitative system dynamics, selected to capture core philosophy, describe theoretical and practical principles, and apply to historical work but be flexible enough to remain relevant as the field progresses. The defining characteristics are: (1) models are based on causal feedback structure, (2) accumulations and delays are foundational, (3) models are equation-based, (4) concept of time is continuous, and (5) analysis focuses on feedback dynamics. We discuss the implications of these principles and use them to identify research opportunities in which the system dynamics field can advance. These research opportunities include causality, disaggregation, data science and AI, and contributing to scientific advancement. Progress in these areas has the potential to improve both the science and practice of system dynamics. © 2024 The Authors. System Dynamics Review published by John Wiley & Sons Ltd on behalf of System Dynamics Society.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Long-duration energy storage (LDES) is critical to a stable, resilient, and decarbonized electric grid. While batteries are emerging as important LDES devices, extended, high-power discharges necessary for cost-competitive LDES present new materials challenges. Focusing on a new generation of low-temperature molten sodium batteries, we explore here unique phenomena related to long-duration discharge through a well-known solid electrolyte, NaSICON. Specifically, molten sodium symmetric cells at 110 °C were cycled at 0.1 A cm−2 for 1-23 h discharges. Longer discharges led to unstable overpotentials, reduced resistances, and decreased electrolyte strength, caused by massive sodium penetration not observed in shorter duration discharges. Scanning electron microscopy informed mechanisms of sodium penetration and even “healing” during shorter-duration cycling. Importantly, these findings show that traditional, low-capacity, shorter-duration tests may not sufficiently inform fundamental materials phenomena that will impact LDES battery performance. This case highlights the importance that candidate LDES batteries be tested under pertinent long-duration conditions.

Abstract not provided.

Abstract not provided.

Abstract not provided.

This article describes the implementation of a new numerical model of the power take-off system installed in the Monterey Bay Aquarium Research Institute wave energy converter, a device developed to provide power to various oceanic research missions. The simultaneous presence of hydraulic, pneumatic, and electrical subsystems in the power take-off system represents a significant challenge in forging an accurate model able to replicate the main dynamic characteristics of the system. The validation of the new numerical model is addressed by comparing simulations with the measurements obtained during a series of bench tests. Data from the bench tests show good agreement with the numerical model. The validated model provides deeper insights into the complex nonlinear dynamics of the power take-off system and will support further performance improvements in the future.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

This abstract presents a comprehensive analysis of total ionizing dose (TID) response in GlobalFoundries' (GFs) 12LP 12 nm bulk Fin-based field effect transistor (FinFET) technology using 10 keV X-rays. Devices with higher threshold voltages (VTs) demonstrated lower increases in OFF-state leakage current (I_ DS, OFF ) post-irradiation, highlighting the mitigating role of high VT in TID response. Our data show that transistors with fewer fins exhibit superior TID resistance, implying lower susceptibility to radiation effects. Our study also probed two bias conditions, 'Gate-On' and 'Pass-Gate,' with the former displaying more severe TID degradation. Interestingly, p-type devices displayed negligible degradation, underscoring their inherent resilience to TID effects. Additionally, medium thick n-type devices echoed the fin-count-dependent TID response observed in other transistor types, further strengthening our findings. These results underscore the importance of strategic transistor selection and design for enhancing the TID resilience of future complementary metal-oxide semiconductor (CMOS) FinFET architectures, particularly critical in radiation-intense environments.

We compare the suitability of various magnesium-based liquid metal alloy ion sources (LMAISs) for scalable focused-ion-beam (FIB) implantation doping of GaN. We consider GaMg, MgSO4●7H2O, MgZn, AlMg, and AuMgSi alloys. Although issues of oxidation (GaMg), decomposition (MgSO4●7H2O), and excessive vapor pressure (MgZn and AlMg) were encountered, the AuMgSi alloy LMAIS operating in a Wien-filtered FIB column emits all Mg isotopes in singly and doubly charged ionization states. We discuss the operating conditions to achieve <20 nm spot size Mg FIB implantation and present Mg depth profile data from time-of-flight secondary ion mass spectrometry. We also provide insight into implantation damage and recovery based on cathodoluminescence spectroscopy before and after rapid thermal processing. Prospects for incorporating the Mg LMAIS into high-power electronic device fabrication are also discussed.

Abstract not provided.

The overall goal of this investigation was to develop an innovative high-temperature chloride molten salt flow control valve capable of operation up to 750 °C. The team developed an integrated active and passive thermal management system to ensure robust design for freeze-thaw cycles, with either a bellows-sealed configuration, a high-temperature stuffing box, or combination of the two. The STM system is unique in the industry.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Additive manufacturing (AM) maintains a wide process window that enables complex designs otherwise unattainable via conventional production technologies. However, the lack of confidence in qualifying AM parts that leverage AM process–structure–property–performance (PSPP) relationships stymies design optimization and adoption of AM. While continuing efforts to map fundamental PSPP relationships that cover the potential design space, we first need pragmatic and then long-term solutions that overcome challenges associated with qualifying AM-designed parts. Two pragmatic solutions include: (1) AM material specifications to substantiate process reproducibility, and (2) component risk categorization to associate system risk relative to part performance and required part quality. A novel qualification paradigm under development involves efficient prediction of part performance over wide-ranging PSPP relationships through targeted testing and computational simulation. This paper describes projects at Sandia National Laboratories on PSPP relationship discovery, these pragmatic approaches, and the novel qualification approach.

Abstract not provided.

Hydrogen continues to show promise as a viable contributor to achieving energy storage goals such as energy security and decarbonization in the United States. However, many new and expanded hydrogen use applications will require identifying methods of larger-scale storage than the solutions that currently exist for smaller storage applications. One possibility is to store large quantities of gaseous hydrogen below ground level. Underground storage of other fuels such as natural gas is already currently utilized, so much of the infrastructure and basic technologies can be used as a basis for underground hydrogen storage (UHS). A few commercial UHS facilities currently exist in the United States, including salt caverns owned and operated by Air Liquide, Linde, and Conoco Philips, but UHS is still a relatively new concept that has not been widely deployed. It is necessary to understand the safety risks and hazards associated with UHS before its use can be expanded and accepted more broadly. Many of these risks are addressed through regulations, codes, and standards (RCS) issued by governing bodies and organizations with expertise in certain hazards. This report is a review of RCS documents relevant to UHS, with a particular lens on potential technical gaps in existing guidance. These gaps may be specific to the physical properties of hydrogen or due to the different technologies relevant for hydrogen vs. natural gas storage. This is meant to be a high-level review to identify relevant documents and potential gaps. Formally addressing the individual gaps identified here within the codes and standards themselves would involve a more intensive analysis and differ based on the code or standard revision processes of the various publishing organizations. Therefore, presenting specific recommendations for revising the verbiage of the documents for UHS applications is left for future work and other publications.

Abstract not provided.

Presentation given at the NWTRB fact-finding meeting (virtual) on April 25th, 2024