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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 793 records · Page 44

Provably-Stable Overload Ride-Through Control for Grid-Forming Inverters Using System-Wide Lyapunov Function Analysis

A key challenge associated with a grid-forming (GFM) inverter based resource (IBR) is its behavior during severe grid disturbances: since a GFM inverter regulates voltage in the fast timescale instead of current or power, it may experience a transient overload of current, power and/or energy during a severe grid disturbance. While many promising control strategies for overload ride-through have been proposed over the past two decades, transient stability of the system during and after the transition to an overload ride-through control mode remains difficult to guarantee. In this work, a novel overload ride-through control strategy is proposed for a system of grid-forming inverters that takes both self-protection and system-wide transient stability into account. A proposed system-level supervisory control uses slow communication to pre-emptively assign a set of local ride through control parameters to individual GFM IBR, including a current-limiting virtual reactance, that guarantees that synchronism is still preserved for any set of anticipated grid disturbances. At the core of the supervisory control lies a Lyapunov-function-based routine capable of establishing a strong, albeit conservative, transient stability guarantee for the system. Here, the proposed overload ride-through control strategy is validated via numerical integration of a reduced-order model, as well as through detailed electromagnetic transient (EMT) simulation.

30 DIRECT ENERGY CONVERSION↗

A Bayesian nonparametric analysis for zero-inflated multivariate count data with application to microbiome study

High-throughput sequencing technology has enabled researchers to profile microbial communities from a variety of environments, but analysis of multivariate taxon count data remains challenging. Here, we develop a Bayesian nonparametric (BNP) regression model with zero inflation to analyse multivariate count data from microbiome studies. A BNP approach flexibly models microbial associations with covariates, such as environmental factors and clinical characteristics. The model produces estimates for probability distributions which relate microbial diversity and differential abundance to covariates, and facilitates community comparisons beyond those provided by simple statistical tests. We compare the model to simpler models and popular alternatives in simulation studies, showing, in addition to these additional community-level insights, it yields superior parameter estimates and model fit in various settings. The model's utility is demonstrated by applying it to a chronic wound microbiome data set and a Human Microbiome Project data set, where it is used to compare microbial communities present in different environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A multi-dimensional search for new heavy resonances decaying to boosted $\text{W}$ $\text{W}$, $\text{W}$ $\text{Z}$, or $\text{Z}$ $\text{Z}$ boson pairs in the dijet final state at 13 $\text {Te}\text{V}$

A search in an all-jet final state for new massive resonances decaying to $\text{ W }{}{}\text{ W }{}{}$, $\text{ W }{}{}\text{ Z }{}{}$, or $\text{ Z }{}{}\text{ Z }{}{}$ boson pairs using a novel analysis method is presented. The analysis is performed on data corresponding to an integrated luminosity of 77.3 $\,\text {fb}^{-1}$ recorded with the CMS experiment at the LHC at a centre-of-mass energy of 13 $\text {Te}\text {V}$. The search is focussed on potential narrow-width resonances with masses above 1.2 $\text {Te}\text {V}$, where the decay products of each $\text{ W }{}{}$ or $\text{ Z }{}{}$ boson are expected to be collimated into a single, large-radius jet. The signal is extracted using a three-dimensional maximum likelihood fit of the two jet masses and the dijet invariant mass, yielding an improvement in sensitivity of up to 30% relative to previous search methods. No excess is observed above the estimated standard model background. In a heavy vector triplet model, spin-1 ${\text {Z}}^{\prime }$ and ${\text {W}}^{\prime }$ resonances with masses below 3.5 and 3.8 $\text {Te}\text {V}$, respectively, are excluded at 95% confidence level. In a bulk graviton model, upper limits on cross sections are set between 27 and 0.2 $\,\text {fb}$ for resonance masses between 1.2 and 5.2 $\text {Te}\text {V}$, respectively. The limits presented in this paper are the best to date in the dijet final state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

ESS-DIVE Reporting Format for Amplicon Abundance Table

While standardized sequencing data is available in public repositories and efforts such as MIxS for common sample collection and processing metadata are well established, the lack of common bioinformatic processing metadata has hindered the ability to do large-scale metaanalyses and the potential for data re-use by non-experts such as ecosystem, watershed, or earth system modelers. To address this need for Department of Energy researchers, we have developed an amplicon reporting format which captures both sample preparation and bioinformatic processing metadata and stores processed amplicon data as a paired abundance table and sequencing file to maximize the potential for re-use of these data. To aid in the adoption of accessible and reproducible analysis workflows, this reporting format was developed in concert with amplicon functionality within the Department of Energy’s Systems Biology Knowledgebase (KBase) to ensure common data and metadata requirements and facilitate seamless transfer between these platforms.This dataset contains support documentation for the amplicon reporting format (README.md and instructions.md), templates for both bioinformatic and sequencing metadata (amplicon_bioinformatic_metadata_template_2021_10_03.csv and amplicon_sequencing_metadata_template_2021_10_03.csv), a crosswalk indicating how this reporting format relates to the current MIxS format (ESSDIVE-MIxS_crosswalk.csv), a list of available instrument terms (amplicon_seq_instrument_terms_2021_10_03.csv), a map between QIIME2 parameter settings and metadata fields (amplicon_qiime2_plugin_metadata_map.csv), a data dictionary (amplicon_CSV_dd.csv), and file-level metadata (amplicon_FLMD.csv).

54 ENVIRONMENTAL SCIENCES↗

Anomalies of non-invertible symmetries in (3+1)d

Anomalies of global symmetries are important tools for understanding the dynamics of quantum systems. We investigate anomalies of non-invertible symmetries in 3+1d using 4+1d bulk topological quantum field theories given by Abelian two-form gauge theories, with a 0-form permutation symmetry. Gauging the 0-form symmetry gives the 4+1d “inflow” symmetry topological field theory for the non-invertible symmetry. We find a two levels of anomalies: (1) the bulk may fail to have an appropriate set of loop excitations which can condense to trivialize the boundary dynamics, and (2) the “Frobenius-Schur indicator” of the non-invertible symmetry (generalizing the Frobenius-Schur indicator of 1+1d fusion categories) may be incompatible with trivial boundary dynamics. As a consequence we derive conditions for non-invertible symmetries in 3+1d to be compatible with symmetric gapped phases, and invertible gapped phases. Along the way, we see that the defects characterizing \mathbb{Z}_{4} ℤ 4 ordinary symmetry host worldvolume theories with time-reversal symmetry \mathsf{T} 𝖳 obeying the algebra \mathsf{T}^{2}=C 𝖳 2 = C or \mathsf{T}^{2}=(-1)^{F}C, 𝖳 2 = ( − 1 ) F C , with C C a unitary charge conjugation symmetry. We classify the anomalies of this symmetry algebra in 2+1d and further use these ideas to construct 2+1d topological orders with non-invertible time-reversal symmetry that permutes anyons. As a concrete realization of our general discussion, we construct new lattice Hamiltonian models in 3+1d with non-invertible symmetry, and constrain their dynamics.

Córdova, Clay↗

Independent Review of Paducah Gaseous Diffusion Plant Freon Release Authorized Limits and Evaluation of Corresponding Radiological Doses

The Portsmouth/Paducah Project Office (PPPO) proposes to use the American National Standard Institute (ANSI)/Health Physics Society (HPS) N13.12 (ANSI 2013) volumetric screening levels as Authorized Limits (ALs) for the release of cryofluorane R-114 (Freon) at the Paducah Gaseous Diffusion Plant (PGDP) in Paducah, Kentucky. A review of the proposed ALs document indicated that potential exposure scenarios from the release of Freon are adequately discussed therein. However, questions arose regarding the assumptions made for the ANSI N13.12 clearance values, and whether or not all pathway doses were adequately considered in the Authorized Limits Request. For example, PPPO used the inverse square rule to estimate dose to the truck driver. A more appropriate evaluation would have considered the material as a cylindrical source for this pathway. In addition, the inverse square rule was inadequately applied to the inhalation and ingestion pathways. Furthermore, while the ANSI N13.12 volumetric clearance values are used in the ALs, questions arose concerning whether the values are appropriate for materials of greater than 1 metric ton, and whether or not the ANSI N13.12 standard could be used for liquids that are sent to an incinerator. For these reasons, dose modeling was conducted to demonstrate that using ANSI/HPS N13.12 screening levels as ALs for release of PGDP Freon meets the dose criteria set in U.S. Department of Energy (DOE) Order 458.1. This report provides a bounding dose analysis using scenarios described in PPPO document. Realistic parameters, such as the incinerator characteristics data, are used when available.

61 RADIATION PROTECTION AND DOSIMETRY↗

Solar-to-Grid: Trends in System Impacts, Reliability, and Market Value in the United States with Data Through 2020

With continued deployment of solar across the United States, assessing the interactions of solar with the power system is an increasingly important complement to studies tracking the cost and performance of solar plants. This project focuses on the historical contribution to reliability, trends in market value, and impacts on the bulk power system of solar deployed in the U.S. through the end of 2020. The scope of this analysis includes the seven organized U.S. wholesale power markets and is based on historical hourly solar generation profiles for each individual plant larger than 1 MW or county-level aggregate profiles for smaller solar. In addition, we present a limited set of results for ten utilities that are outside of the independent system operator (ISO)/regional transmission organization (RTO) markets.

14 SOLAR ENERGY↗

Watching the Watchers with Verified Formal-Assurance Tools (Abbreviated Final Report)

The “Watching the Watchers” project studied the problem of establishing assurance cases for tools that are used to assure other things. Specifically, we were interested in understanding the tools and techniques one could apply to software to build an assurance case to evaluate their applicability, difficulty, level of assurance provided, and scalability. To do so we chose a set of use cases of relevance to LLNL and our various DOE and non-DOE partners and developed demonstrators to perform this evaluation. Our key focal point was around additive manufacturing problems and assurance gaps that we identified in the additive manufacturing workflow from start to completion. We also explored other areas related to AI, data analysis, and concurrent programming. Follow-on research is planned to take our prototypes from this project and adapt and mature them to fit LLNL mission applications.

97 MATHEMATICS AND COMPUTING↗

Assessing the Potential for Inadvertent Human Intrusion at the Area 3 and Area 5 Radioactive Waste Management Sites on the Nevada National Security Site, Nye County, Nevada

This paper recommends an approach to inadvertent human intrusion (IHI) at the Area 3 and Area 5 Radioactive Waste Management Sites (RWMSs) on the Nevada National Security Site (NNSS). IHI analysis uses the consequences of an individual inadvertently contacting buried waste to set waste concentration limits for near-surface disposal of low-level radioactive waste (LLW). Regulatory agencies are increasingly applying risk-informed decision-making to LLW waste management (NRC 2006). Risk-informed decision-making combines scientific risk assessment with stakeholder values and perceptions to determine a level of acceptable risk. Risk considers not only the consequences of an event, but also its probability of occurring.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The Future Circular Collider: a Summary for the US 2021 Snowmass Process

In this white paper for the 2021 Snowmass process, we give a description of the proposed Future Circular Collider (FCC) project and its physics program. The paper summarizes and updates the discussion submitted to the European Strategy on Particle Physics. After construction of an approximately 90 km tunnel, an electron-positron collider based on established technologies allows world-record instantaneous luminosities at center-of-mass energies from the Z resonance up to tt thresholds, enabling a rich set of fundamental measurements including Higgs couplings determinations at the sub percent level, precision tests of the weak and strong forces, and searches for new particles, including dark matter, both directly and via virtual corrections or mixing. Among other possibilities, the FCC-ee will be able to (i) indirectly discover new particles coupling to the Higgs and/or electroweak bosons up to scales around 7 and 50 TeV, respectively; (ii) perform competitive SUSY tests at the loop level in regions not accessible at the LHC; (iii) study heavy-flavor and tau physics in ultra-rare decays beyond the LHC reach, and (iv) achieve the best potential in direct collider searches for dark matter, sterile neutrinos, and axion-like particles with masses up to around 90 GeV. The tunnel can then be reused for a proton-proton collider, establishing record center-of-mass collision energy, allowing unprecedented reach for direct searches for new particles up to the around 50 TeV scale, and a diverse program of measurements of the Standard Model and Higgs boson, including a precision measurement of the Higgs self-coupling, and conclusively testing weakly-interacting massive particle scenarios of thermal relic dark matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Development and Validation of a Scoring System for Abnormalities in the Gopher Frog (Rana capito)

Headstarting efforts are thought to be critical in supplementing populations of the at-risk Gopher Frog (Rana capito); however, recent efforts have occasionally resulted in juveniles with developmental abnormalities. In response, we developed a scoring system to collect quantitative data on the presence and severity of these developmental abnormalities. Our objective was to describe and validate the abnormality scoring system so that it can be used by all Gopher Frog headstarting facilities. The scoring system covers five primary conditions encompassing commonly observed abnormalities. Two groups of participants with different levels of prior experience working with Gopher Frogs assigned scores to a set of images presented to them for each condition. We used intra-class correlation coefficients (ICC) to test the scoring system for inter- and intra-rater agreement as well as agreement with the benchmark standard (established by the authors). We found high ICC values for inter-rater agreement, intra-rater agreement, and agreement to the benchmark standard indicating either excellent or good reliability for all five conditions and for all raters when grouped together. These findings support the reliability and validity of the proposed developmental abnormality scoring system. Gopher Frog headstarting facilities can implement this scoring system to assist in tracking the frequency and severity of abnormalities observed in future headstarting efforts. We hope that by creating a reliable scoring system for Gopher Frogs, it can provide an overall framework and serve as a valuable resource to evaluate abnormalities across any amphibian species.

abnormality↗

Learning with Adaptive Conservativeness for Distributionally Robust Optimization: Incentive Design for Voltage Regulation: Preprint

Information asymmetry between the Distribution System Operator (DSO) and Distributed Energy Resource Aggregators (DERAs) obstructs designing effective incentives for voltage regulation. To capture this effect, we employ a Stackelberg game-theoretic framework, where the DSO seeks to overcome the information asymmetry and refine its incentive strategies by learning from DERA behavior over multiple iterations. We introduce a model-based online learning algorithm for the DSO, aimed at inferring the relationship between incentives and DERA responses. Given the uncertain nature of these responses, we also propose a distributionally robust incentive design model to control the probability of voltage regulation failure and then reformulate it into a convex problem. This model allows the DSO to periodically revise distribution assumptions on uncertain parameters in the decision model of the DERA. Finally, we present a gradient-based method that permits the DSO to adaptively modify its conservativeness level, measured by the size of a Wasserstein metric-based ambiguity set, according to historical voltage regulation performance. The effectiveness of our proposed method is demonstrated through numerical experiments.

distribution system operator↗

Three-phase, three-level inverters and methods for performing soft switching with phase synchronization

A three-phase, N-level inverter and method are disclosed. A circuit topology of the inverter comprises first, second and third sets of switches and first, second and third inductors. Each switch comprises at least first, second and third terminals, the first terminals being control terminals. The first terminals of the first, second and third inductors are electrically coupled to the first, second and third sets of switches, respectively. A current controller performs a control algorithm that causes it to output first, second and third sets of gating signals to the control terminals of the switches of the first, second and third sets of switches, respectively, to cause them to be placed in an on state or an off state in a particular sequence to perform zero voltage switching while maintaining synchronization of the three phases of the three-phase, N-level inverter.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Projecting Future Colorado River Basin Water and Hydropower Operations

Drought, variable renewable energy (VRE) resources (primarily wind and photovoltaic technologies), and power markets can all impact hydropower plant operations. We analyze how these three factors collectively may potentially change the future operation and economics of federal dams and hydropower plants located in the Colorado River Basin (CRB). Federal CRB energy and capacity resources, including 4,200 MW of hydropower capacity, are marketed by Western Area Power Administration (WAPA) and sold through long-term Firm Electric Service (FES) contracts to entities located in 15 western and central States that serve millions of electricity consumers. The parameters of FES contracts allow a wide range of scheduling flexibility for FES customers. The FES customers will adjust the timing of energy delivery according to the changing water, power market, and VRE contribution level to the power grid. We simulate and project water and hydropower operations with two models: 1) reservoir operation and 2) power system operation (production cost) with various temporal granularity. We consider two sets of grid scenarios (one representing today's infrastructure, and one representing higher VRE contributions in 2036) and two sets of water scenarios (drought and normal hydrology). We modeled scenarios to understand the power market-energy price levels and patterns, FES customer scheduling, hydropower economics, WAPA finances and hydropower operation for various hydrologic conditions, and VRE contribution level to the power grid. The detailed modeling framework includes: (1) creating ensembles of CRB hydrologic and hydropower futures, (2) selecting representative futures, (3) simulation of FES customer contracts, (4) simulating western U.S. power grid economic scheduling and dispatch under two VRE contribution levels, utilizing information from modeling steps (1)-(4), (5) assessment of reservoir water and hydropower operation, and (6) comparing scenario operations and economics. Our study team comprising WAPA, and an interdisciplinary team of national labs will gain insight into how WAPA can prepare for and adapt its practices in response to an evolving U.S. power grid.

Colorado River↗

Towards verifiable cancer digital twins: tissue level modeling protocol for precision medicine

Cancer exhibits substantial heterogeneity, manifesting as distinct morphological and molecular variations across tumors, which frequently undermines the efficacy of conventional oncological treatments. Developments in multiomics and sequencing technologies have paved the way for unraveling this heterogeneity. Nevertheless, the complexity of the data gathered from these methods cannot be fully interpreted through multimodal data analysis alone. Mathematical modeling plays a crucial role in delineating the underlying mechanisms to explain sources of heterogeneity using patient-specific data. Intra-tumoral diversity necessitates the development of precision oncology therapies utilizing multiphysics, multiscale mathematical models for cancer. This review discusses recent advancements in computational methodologies for precision oncology, highlighting the potential of cancer digital twins to enhance patient-specific decision-making in clinical settings. We review computational efforts in building patient-informed cellular and tissue-level models for cancer and propose a computational framework that utilizes agent-based modeling as an effective conduit to integrate cancer systems models that encode signaling at the cellular scale with digital twin models that predict tissue-level response in a tumor microenvironment customized to patient information. Furthermore, we discuss machine learning approaches to building surrogates for these complex mathematical models. These surrogates can potentially be used to conduct sensitivity analysis, verification, validation, and uncertainty quantification, which is especially important for tumor studies due to their dynamic nature.

60 APPLIED LIFE SCIENCES↗

A Tale from the Trenches: Applying Metamorphic and Differential Testing to Bioinformatics Software

Metamorphic and differential testing have been proposed as best practices for testing software that is difficult to test, such as for programs in scientific domains. An assumption is that these approaches can be easily customized and applied to almost any domain. However, scientific software is often data-driven, and metamorphic relations may require significant domain knowledge to develop. In addition, tools are often written for ad-hoc experimentation by the scientists and often embed many assumptions about the importance and representation of different natural phenomena. In this paper, we present our experience applying both metamorphic and differential testing to a set of four computational biology tools that predict the growth of an organism. While our original goal was to evaluate these techniques to improve our system-level testing, we encountered multiple roadblocks along the way. Although we did find faults (some confirmed by developers), we also uncovered a set of challenges, including the considerable manual effort required for (a) defining domain-specific tests, (b) validating correctness, and (c) distinguishing between issues stemming from poor data and those arising from incorrect software.

Marsh, Alexis L [Iowa State University/Ames Labora↗

On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters

The predominance of Kohn–Sham density functional theory (KS-DFT) for the theoretical treatment of large experimentally relevant systems in molecular chemistry and materials science relies primarily on the existence of efficient software implementations which are capable of leveraging the latest advances in modern high-performance computing (HPC). With recent trends in HPC leading toward increasing reliance on heterogeneous accelerator-based architectures such as graphics processing units (GPU), existing code bases must embrace these architectural advances to maintain the high levels of performance that have come to be expected for these methods. In this work, we purpose a three-level parallelism scheme for the distributed numerical integration of the exchange-correlation (XC) potential in the Gaussian basis set discretization of the Kohn–Sham equations on large computing clusters consisting of multiple GPUs per compute node. In addition, we purpose and demonstrate the efficacy of the use of batched kernels, including batched level-3 BLAS operations, in achieving high levels of performance on the GPU. We demonstrate the performance and scalability of the implementation of the purposed method in the NWChemEx software package by comparing to the existing scalable CPU XC integration in NWChem.

97 MATHEMATICS AND COMPUTING↗

High-level fuel fabrication facility designs from discrete-event simulation

Like other industrial processes, the production of metallic nuclear fuels (MNF) requires that fabrication facilities be able to reliably meet production demands, operate efficiently, and adhere to federal and local safety regulations. In turn, the set of design variables employed by such a facility, such as operations policies, infrastructure and machinery purchased, and the type and number of staff hired, directly impact a facility’s ability to satisfy these goals. Therefore, facility designers must carefully determine which set of design variable values optimally satisfies these constraints. In this paper, we explore how values for these high-level design variables, namely hiring requirements, can be determined in the context of nuclear fuel manufacturing through the coupling of physics-based and discrete-event simulation technologies. Using the Versatile Test Reactor (VTR) program as a case study, we demonstrate how SCALE and MCNP nuclear physics model outputs can be integrated into ExtendSim discrete-event simulation (DES) models of the fuel fabrication process to determine the optimal number of staff hired to ensure fuel production goals are met, operations comply with effective dose limit regulations, and overall project costs are reduced.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗