Publications

Asymmetric energy exchange interactions, also known as Hatano-Nelson type couplings, enable the study of non-Hermitian physics and associated phenomena like the non-Hermitian skin effect and exceptional points (EPs). Since these interactions are by definition nonreciprocal, there have been very few options for implementations in integrated photonics. In this work, we show that asymmetric couplings are readily achievable in integrated photonic systems through time-domain dynamic modulation. We experimentally study this concept using a two-resonator photonic molecule produced in a lithium niobate on insulator platform that is electro-optically modulated by rf stimuli. We demonstrate the dynamic tuning of the Hatano-Nelson coupling between the resonators, surpassing the asymmetry that has been achieved in previous work, to reach an EP for the first time. We are additionally able to flip the relative sign of the couplings for opposite directions by going past the EP. Using this capability, we show that the through-chain transport can be configured to exhibit both giant (∼60 dB) optical contrast as well as photonic gyration or nonreciprocal π phase contrast.

The influence of the external cathodic area, stress intensity, and electrochemical polarization level on the resultant crack growth rate and crack tip pH and potential was studied for stainless steel 304L in a sodium chloride environment. Before testing, the validity of in situ crack tip property measurements using microprobes and drilled holes was supported through modeling efforts and confirmed with experimental observations. Here, it was found that increasing the R-ratio during corrosion fatigue increased the crack growth rate and decreased the measured crack tip pH of the 304L sample. Decreasing the electrochemical potential (i.e., cathodic polarization) of the bulk sample increased the crack tip pH and stopped measured crack extension under constant K conditions. Conversely, increasing the potential of the bulk sample decreased the crack tip pH and induced cracking under constant K conditions. Decreasing the cathodic area external to the crack increased the measured pH at the crack tip and decreased the crack growth rate under fatigue conditions. For the given configuration, environment, and alloy studied, fatigue crack growth is not sustained by cathodic reactions solely occurring in the crack wake and notch. These results have implications for the ability to predict atmospheric crack growth rates from laboratory, full immersion experiments.

Simulation-based approaches to microstructure generation can suffer from a variety of limitations, such as high memory usage, long computational times, and difficulties in generating complex geometries. Generative machine learning models present a way around these issues, but they have previously been limited by the fixed size of their generation area. We present a new microstructure generation methodology leveraging advances in inpainting using denoising diffusion models to overcome this generation area limitation. We show that microstructures generated with the presented methodology are statistically similar to grain structures generated with a kinetic Monte Carlo simulator, SPPARKS.

The adhesion of nanoparticles to their supports is key to their performance and stability. However, scientific advances in this area have been hampered by the difficulty of experimentally probing adhesion. To date, only a single technique has been developed that can directly measure nanoparticle adhesion, and this technique is inherently limited to monometallic systems. We present a versatile technique for the direct measurement of adhesion for bimetallic nanoparticle systems. This technique combines the spatial resolution of transmission electron microscopy with the force resolution of an atomic force microscope to probe individual, well-characterized nanoparticles. A first study of supported bimetallic nanoparticles provides new insights into the complex impact of alloying on nanoparticle adhesion, explained by charge transfer between constituent metals. The new experimental technique is readily extensible to study other multimetallic nanoparticle systems, including the effects of particle size, shape, and orientation, thus enabling advances in our understanding of nanoparticle physics.

Optimization-based coupling (OBC) is an attractive alternative to traditional Lagrange multiplier approaches in multiple modeling and simulation contexts. However, application of OBC to time-dependent problems has been hindered by the computational cost of finding the stationary points of the associated Lagrangian, which requires primal and adjoint solves. This issue can be mitigated by using OBC in conjunction with computationally efficient reduced order models (ROMs). To demonstrate the potential of this combination, in this paper, we develop an optimization-based ROM-ROM coupling for a transient advection-diffusion transmission problem. We pursue the “optimize-then-reduce” path toward solving the minimization problem at each time step and solve reduced space adjoint system of equations, where the main challenge in this formulation is the generation of adjoint snapshots and reduced bases for the adjoint systems required by the optimizer. One of the main contributions of the paper is a new technique for an efficient adjoint snapshot collection for gradient-based optimizers in the context of optimization-based ROM-ROM couplings. In conclusion, we present numerical studies demonstrating the accuracy of the approach along with comparison between various approaches for selecting a reduced order basis for the adjoint systems, including decay of snapshot energy, average iteration counts, and timings.

Oxygen vacancies in H f x Z r ( 1 − x ) O 2 (HZO) both contribute to stabilization of the ferroelectric orthorhombic phase and promote leakage pathways that limit the endurance of devices based on the material. For this reason, the defect states of oxygen vacancies were investigated using photoemission electron microscopy (PEEM) and photoluminescence spectroscopy (PL), as their concentration was varied via ex situ laser exposure. Following a controlled oxygen vacancy reduction via visible (2.54 eV) laser dosing of HZO, deep-ultraviolet (DUV, 5.82 eV) PEEM was used to spatially probe the resulting mid-gap defect states and work function. Work function was found to increase monotonically with the laser-induced reduction in oxygen vacancy concentration culminating in a total increase near 70 meV. The change implies a Fermi level shift toward the valence band as the total available electron-filled charge states are reduced with the removal of oxygen vacancies. A reduction in charge states is corroborated by the observed lessening of both photoemission and photoluminescence intensities after laser dosing. The deduced position of the Fermi level is within a band of near-conduction band defect states produced by oxygen vacancies that are linked to endurance limiting leakage currents. Together, these results directly identify the primary role of oxygen vacancies on the defect states in HZO while demonstrating that laser exposure can be used for their modification.

Five alternative metals are investigated as ohmic contacts to n-GaN including Cr/Au, Mo/Au, Pt/Au, Pd/Au, and Ge/Au. Ti-based contacts are traditionally used for ohmic contacts on n-GaN. However, conventional Ti/Al/Ni/Au metallization is found to be incompatible with a self-aligned process for GaN trench MOSFETs due to wet etch restrictions. Therefore, an alternative metallization is needed that is unreactive to the etch chemistry used in the self-aligned process. Additionally, the contact should remain ohmic following anneal at 900 °C so that contact formation can precede the anneal required for p-dopant activation. Here, in the present work, an n-GaN bilayer, consisting of a thin heavily doped contact layer (n₀ = 1 × 10²⁰ cm⁻³) atop a thick lesser doped layer, is used to demonstrate ohmic contacts of alternative metals with low specific contact resistance and extended thermal budget. Cr/Au ohmic contacts are demonstrated up to anneal temperatures of 800 °C, an increase of 200 °C compared to the highest known reports for Cr/Au contacts on n-GaN. Pt/Au metallization is demonstrated as an ohmic contact to n-GaN for the first time and exhibits true temperature-agnostic behavior up to anneal temperatures of 900 °C with specific contact resistance that is near parity with Ti/Al/Ni/Au. The temperature-agnostic behavior of Pt/Au ohmic contacts on the n-GaN bilayer, in addition to chemical compatibility with the self-aligned process, positions Pt/Au contacts as a key enabling element for self-aligned trench MOSFETs on GaN.

A finite element model of a 60-cell monocrystalline silicon glass-polymer photovoltaic module was simulated with ±1.0 kPa and ±2.4 kPa loads applied to the glass to calculate the deformation under load. Cell-to-cell displacements were used to approximate interconnect strain and stress. A mathematical fatigue cycle life relation was fitted to data for the interconnect material (copper), to generate a life prediction at each interconnect location based on the local stress means, reversal extents, and amplitudes. Interconnect stress was found to be significantly asymmetric about zero despite symmetric positive and negative module loads due to laminate thickness offsets about the neutral plane and the effects of module framing. Cycle life results indicated that interconnect fatigue failure was unlikely to occur over a 30-year lifetime of conservative wind and snow load cycles since the typical cell design feature of leaving some unconstrained length between the cell edge and first solder pad increases the effective gauge length and decreases the stress levels below the material endurance limit. Follow-up analyses found that 3.6 mm and 6.4 mm were the minimum unconstrained lengths required to survive the assumed lifetime of wind and snow cycles, respectively, confirming that typical industrial module constructions with 8–15 mm unconstrained lengths should survive conservatively. Notably, large magnitude, low-cycle snow loading was consistently the limiting factor requiring a longer unconstrained interconnect length. Finally, insights and workflows from this study inform module interconnection design limits for survival against mechanical fatigue in deployment environments.

Miniature atomic clocks based on the interrogation of the ground state hyperfine splitting of buffer gas cooled ions confined in radio frequency Paul traps have shown great promise as high precision prototype clocks. We report on the performance of two miniature ion trap vacuum packages after being sealed for as much as 10 years. We find the lifetime of the ions within the trap has increased over time for both traps and can be as long as 50 days. We form two clocks using the two traps and compare their relative frequency instability one with another to demonstrate a short-term instability of 5×10^-13$τ$^-1/2 integrating down to 1×10^-14 after 2 ks of integration. The trapped ion lifetime and clock instability demonstrated by these miniature devices despite only being passively pumped for many years represents a critical advance toward their proliferation in the clock community.

NasGen provides a path for migration of structural models from Nastran bulk data format (BDF) into both an Exodus mesh file and an ASCII input file for Sierra Structural Dynamics (Salinas) and Solid Mechanics (Adagio). Many tools at Sandia National Labs (SNL) use the Exodus format. This document describes capabilities and limitations of the NasGen translation software.

Chapare virus (CHAPV) is an emerging New World arenavirus that is the causative agent of Chapare hemorrhagic fever (CHHF) responsible for recent outbreaks with alarmingly high case fatality rates in Bolivia near the Brazilian border. Here, we describe a nonhuman primate (NHP) model of CHHF infection which represents an essential tool to understand this emerging biological threat agent. Cynomolgus macaques challenged intravenously with CHAPV develop clinical disease, which recapitulates several key features of human CHHF. All subjects lost weight and had clinical scores following CHAPV challenge. Notably, one of four NHPs developed lethal disease with viral hepatitis and hemorrhagic features. Clinical chemistry and hematology revealed leukopenia, anemia, thrombocytopenia, and increased transaminase levels. In all four subjects, viremia was detectable for the first week following challenge and viral RNA was detectable in serum and many tissues persisting 35 days-post challenge. Several medical countermeasures (MCM) have efficacy against CHAPV infection in vitro, but the current model for MCM testing and approval of new drugs is reliant on the availability of animal models. This work lays the foundation for future CHHF MCM development.

Abstract not provided.

Brittle behavior of metal alloys is often critical to modeling ballistic impact and penetration. The ALEGRA multiphysics finite element software incorporates calibrated models for the equation of state, elasticity, yield stress, plasticity and fracture, but simulations do not always capture expected metal fracture. Here we report concerted efforts to do so for one important case where experiments clearly show shear fractures: a tungsten sphere impacting a steel plate at various angles. Our best simulations show fractures that are qualitatively similar to experiments, but there are significant differences in quantitative metrics. Specifically, velocities of tracers used to quantify simulated plug parameters consistently fall short of measured plug velocities. Also, simulated plugs break apart more than expected from experimental evidence. We attribute these shortfalls to the lack of an explicit shear fracture mechanism in the material models, leading to over-estimated resistance to plug formation and movement.

The research field of soil viral ecology continues to advance rapidly as the roles of viruses in the functioning of soil ecosystems are increasingly recognized. To address recent developments in the field, the second International Soil Virus Conference was held in Livermore, California, USA, from June 25 to 27th, 2024, providing soil viral ecologists the opportunity to share new findings and suggest guidelines for future research, while encouraging international scientific discussion and collaboration. The meeting was held in person with sessions simultaneously streamed online. Fifty researchers attended from ten different countries and spanned a wide range of subfields and career stages. A total of 21 oral presentations were presented, followed by discussions covering key themes in soil viral research. This report summarizes the main takeaways and recommendations from the talks and discussions.

Photovoltaic (PV) systems are essential for the transition to sustainable energy, reducing fossil fuel dependence and mitigating climate change. Although PV requires minimal land area — PV can meet the European Union's energy needs using only 0.26% of its land — space for deployment is often scarce in densely populated regions. Floating photovoltaics (FPV) offer an effective solution to land-use challenges by installing PV systems on floating structures in water bodies. FPV is a growing niche within PV with a cumulative installed capacity reaching 7.7 GW globally by 2023. Almost 90% of the installed FPV capacity is in Asia, with close to 50% of in China alone, while the Netherlands and France are the largest markets outside Asia. FPV shows strong potential to support climate targets, but still faces challenges like regulatory barriers, cost competitiveness compared to ground-based PV (GPV), and uncertainties about environmental impacts and system reliability. FPV systems are currently installed mainly on sheltered inland waters, such as quarry lakes, irrigation ponds and reservoirs. FPV technical standards are still being developed. Guidelines have been published by the World Bank, DNV, and Solar Power Europe, and emerging national standards from South Korea, China, and Singapore address design, components, and safety. The International Electrotechnical Commission (IEC) is working on formal standards for floats, mooring systems, and electrical connectors. However, the published best practices lack quantitative guidance for yield modelling and reliability, which this report aims to address. It provides data-driven insights, models, and parameters essential for accurate energy yield, reliability, and maintenance predictions over FPV systems' lifetimes.

Public-facing solar hosting capacity (HC) maps, which show the maximum amount of solar energy that can be installed at a location without adverse effects, have proven to be a key driver of solar soft cost reductions through a variety of pathways (e.g., streamlining interconnection, siting, and customer acquisition processes). However, current methods for generating HC maps require detailed grid models and time-consuming simulations that limit both their accuracy and scalability—today, only a handful out of almost 2,000 utilities provide these maps. This project developed and validated data-driven algorithms for calculating solar HC using data from AMI without the need of detailed grid models or simulations. The algorithms were validated on utility datasets and incorporated as an application into NRECA’s Open Modeling Framework (OMF.coop) for the over 260 coops and vendors throughout the US to use. The OMF is free and open-source for everyone.

Development of a defensible source-term model (STM), usual ly a thermodynamical model for radionuclide solubility calculations, is critical to a performance assessment (PA) of a geologic repository for nuclear waste disposal. Such a model is generally subjected to rigorous regulatory scrutiny. In this article, we highlight key guiding principles for STM model development and validation in nuclear waste management. We illustrate these principles by closely examining three recently developed thermodynamic models with the Pitzer formulism for aqueous H+—Nd3+—NO3−(—oxalate) systems in a reverse alphabetical order of the authors: the XW model developed by Xiong and Wang, the OWC model developed by Oakes et al., and the GLC model developed by Guignot et al., among which the XW model deals with trace activity coefficients for Nd(III), while the OWC and GLC models are for concentrated Nd(NO3)3 electrolyte solutions. The principles highlighted include the following: (1) Principle 1. Validation against independent experimental data: A model should be validated against experimental data or field observations that have not been used in the original model parameterization. We tested the XW model against multiple independent experimental data sets including electromotive force (EMF), solubility, water vapor, and water activity measurements. The results show that the XW model is accurate and valid for its intended use for predicting trace activity coefficients and therefore Nd solubility in repository environments. (2) Principle 2. Testing for relevant and sensitive variables: Solution pH is such a variable for an STM and easily acquirable. All three models are checked for their ability to predict pH conditions in Nd(NO3)3 electrolyte solutions. The OWC model fails to provide a reasonable estimate for solution pH conditions, thus casting serious doubt on its validity for a source-term calculation. In contrast, both the XW and GLC models predict close-to-neutral pH values, in agreement with experimental measurements. (3) Principle 3. Honoring physical constraints: Upon close examination, it is found that the Nd(III)-NO3 association schema in the OWC model suffers from two shortcomings. Firstly, its second stepwise stability constant for Nd(NO3)2+ (log K2) is much higher than the first stepwise stability constant for NdNO32+ (log K1), thus violating the general rule of (log K2–log K1) < 0, or (Formula presented.). Secondly, the OWC model predicts abnormally high activity coefficients for Nd(NO3)2+ (up to ~900) as the concentration increases. (4) Principle 4. Minimizing degrees of freedom for model fitting: The OWC model with nine fitted parameters is compared with the GLC model with five fitted parameters, as both models apply to the concentrated region for Nd(NO3)3 electrolyte solutions. The latter appears superior to the former because the latter can fit osmotic coefficient data equally well with fewer model parameters. The work presented here thus illustrates the salient points of geochemical model development, selection, and validation in nuclear waste management.

Tamper-indicating devices (TIDs), also known as seals, play a crucial role in various sectors including international nuclear safeguards, arms control, domestic security, and commercial products, by ensuring that monitored or high-value items are not accessed undetected. These devices do not block access but alert to unauthorized tampering. With adversaries' capabilities evolving, there's a pressing need for seals to advance in terms of effectiveness (e.g., better tamper indication and unique identification), and new technology can improve the efficiency of installation and verification. Passive loop seals, widely used in international nuclear safeguards to ensure that continuity of knowledge is maintained on declared items, face stringent International Atomic Energy Agency (IAEA) requirements that surpass those met by commercial products. The metal cup seal (Figure 1, left), a staple IAEA seal, is robust but requires significant resources for post-use verification – specifically, the seal’s unique identity can only be verified at IAEA headquarters after removal from facilities. Further, the seal has been in use for decades and seal types should periodically be replaced to counter adversarial efforts for defeating seals. In 2020, the IAEA outlined about 40 requirements for a new passive loop seal, aiming for in-situ verification, minimal external tool use, unique identification (UID), and clear tamper indication. In response, research and development efforts focused on creating a new passive loop seal that meets these criteria and in 2022 the IAEA announced the completion of the Field Verifiable Passive Loop Seal (FVPS) (Figure 1, right). Concurrently to the IAEA’s efforts, Sandia National Laboratories (SNL) and Oak Ridge National Laboratory (ORNL) designed, developed, and tested two seal versions – Puck and Puck/SAW, with Puck based on the IAEA’s requirements and including a novel visually-obvious tamper response, and Puck/SAW adding additional beneficial capabilities like the ability to receive a unique identifier from a standoff distance and monitoring the wire integrity. Puck/SAW was specifically designed and developed to address sealing applications in dry spent fuel storage facilities, where the number of sealed spent fuel containers results in heavy verification burden and inspector safety issues related to radiation exposure. These efforts are described in this Executive Summary.

Abstract not provided.

Recent successes in the exploration, drilling, and discovery of geologic hydrogen have generated notable excitement. This new energy resource has the potential to make an important contribution to our nation’s energy supply, resiliency, and security. Contemporary studies of geologic hydrogen have a common theme of suggesting places where it might be found or even more specifically, what rocks in what geologic formations may contribute to its formation — either naturally or via artificially induced means. This vital ongoing body of work sets the stage for imagining what may be possible with vast available quantities of naturally occurring hydrogen in the subsurface. While acknowledging current approaches to characterizing geologic hydrogen, this report advances the discussion by suggesting next steps, including the critical science and engineering necessary to make geologic hydrogen an affordable and reliable part of the U.S. energy portfolio.

Autonomous manipulation is a challenging problem in field robotics due to uncertainty in object properties, constraints, and coupling phenomenon with robot control systems. Humans learn motion primitives over time to effectively interact with the environment. We postulate that autonomous manipulation can be enabled by basic sets of motion primitives as well, but do not necessitate mimicking human motion primitives. This work presents an approach to generalized optimal motion primitives using physics-informed neural networks. Our simulated and experimental results demonstrate that optimality is notionally maintained where the mean maximum observed final position percent error was 0.564% and the average mean error for all the trajectories was 1.53%. These results indicate that notional generalization is attained using a physics-informed neural network approach that enables near optimal real-time adaptation of primitive motion profiles.

This document details a data mining exercise that resulted in an exploratory dataset of publicly reported foreign (non-US) hypersonic vehicle test events. Using a combination of targeted English language searches and country-specific queries, the study aggregates information from digital news media, official press releases, and social media posts. The resulting list of events captures the publicly available accounts of foreign hypersonic tests, although it does not represent an exhaustive record. Limitations such as inconsistent reporting, translation challenges, and the inherently provisional nature of open-source data are acknowledged. This dataset serves as an initial reference point for further inquiries into high-speed atmospheric phenomena and may facilitate future efforts to correlate these events with geophysical measurements.

Abstract not provided.

The Fusion of Simulation, Experiment, and Data (FuSED) team provides a set of tools for solving inverse problems in structural dynamics and thermal physics, and also sensor placement optimization via Optimal Experimental Design (OED). These methods are used for designing experiments, model calibration, and verification/validation analysis of systems. This document provides a user’s guide to the input for the three apps that are supported for these methods. Details of input specifications, output options, and optimization parameters are included.

A mesoscale model to predict helium bubble evolution is needed for tritium applications. Such a model requires that the conventional kinetic Monte Carlo (kMC) simulations be significantly accelerated. The objective of this report is to (a) highlight the concepts and mathematical expressions of the accelerated method for defect implementation that have not been published, (b) show an example input file to run the kMC code, and (c) provide suggestions on future improvement following my retirement.