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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 109 records · Page 6

Geometric Interpretation of a Non-Linear Extension of Quantum Mechanics

We recently introduced a particular non-linear generalization of quantum mechanics that has the property that it is exactly solvable in terms of the eigenvalues and eigenfunctions of the Hamiltonian of the usual linear quantum mechanics problem. In this paper, we suggest that the two components of the wave function represent the system described by the Hamiltonian H in two different asymptotic regions of spacetime and we show that the non-linear terms can be viewed as giving rise to gravitational effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Extension of Virtual Test Bed Advanced Modeling and Simulation Capabilities for Fusion Energy

The National Reactor Innovation Center (NRIC) was established to accelerate the deployment of novel reactor concepts. This is achieved by providing physical and virtual spaces for building and testing reactor experiments. The Virtual Test Bed (VTB) represents the virtual counterpart to the physical test beds. It is a collaboration with the Department of Energy’s (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program with the mission to accelerate the deployment of advanced reactors by facilitating the adoption of advanced modeling and simulation (M&S) tools developed by the DOE. This mission has been carried out by the VTB since 2020 by hosting and featuring dozens of advanced fission nuclear reactor models developed by national laboratories and academia. The charter of the NRIC’s definition of advanced reactors also includes fusion nuclear reactors. As the tools developed by the NEAMS program are increasingly used for modeling fusion energy devices, there is an increasing need to host fusion reactor models on the VTB repository. The VTB will be extended in 2024 to support fusion energy modeling and simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

USABILITY EXTENSION OF THE ŠKODA VPVR/M CASK FOR TRANSPORTING IRRADIATED FUEL ASSEMBLIES

New abstract from the final version being submitted now: This paper discusses the evolution and enhanced usability of the ŠKODA VPVR/M cask for the transport of irradiated fuel assemblies, particularly within the context of the demand for the delivery of newly appearing irradiated HEU fuel types for which the cask did not yet have a license to transport. Over time, the cask’s internal basket construction has demonstrated notable adaptability to accommodate various exotic HEU fuel types from research reactors of differing origins. The paper outlines sever-al custom internal baskets developed for specific fuel types, including those from Belarus and Serbia, as well as from Georgia, Uzbekistan, and MNSR cores, as well as a recently designed basket for MTR and TRIGA assemblies. The findings high-light the high flexibility and adaptability of the cask, supported by successful rede-signs and licensing efforts, underscoring its value for the safe and secure transport of nuclear material. Old abstract from the draft version that was already approved: The Russian Research Reactor Fuel Return (RRRFR) program, since its inception, has continuously used the ŠKODA VPVR/M Cask fleet designed for the repatriation of irradiated highly enriched uranium (HEU) fuel. As the program progressed (from shut-down and a quasi-abandoned reactor, and/or as it began to include fuels of Chinese and US origin), new challenges emerged for the transport Cask. These were fuel types that had not yet been licensed for the Cask. Although these requirements did not arise during the design of the basic ŠKODA VPVR/M Cask, as revealed by the retrospective analyses, the Internal Basket of the ŠKODA VPVR/M Cask gives a high degree of flexibility to accommodate additional fuel types. This paper provides a brief overview of the ŠKODA VPVR/M Cask, which holds a B(U) type license, and introduces the different types of Internal Baskets that have already been licensed to transport so-called exotic irradiated HEU fuel types, in addition to the original license. The paper presents a new Internal Basket design for accommodating MTR-type and TRIGA-type irradiated HEU fuel assemblies. This includes a detailed presentation of the design basis and the new MTR-TRIGA Internal Basket, as well as the licensing matters of the package under the name ŠKODA MTR-TRIGA Cask, and the conformity test (dry- and wet-run) operations made to verify compliance with the new Internal Basket. Then, as a summary, the usage record for the Cask fleet is presented, and finally, the paper concludes with the consolidated experiences gained during the utilization of the ŠKODA VPVR/M Cask fleet, emphasizing the high degree of Cask flexibility ensured by the Internal Basket’s construction.

42 - ENGINEERING↗

Diaminopurine in Nonenzymatic RNA Template Copying

In the RNA World before the emergence of an RNA polymerase, nonenzymatic template copying would have been essential for the transmission of genetic information. However, the products of chemical copying with the canonical nucleotides (A, U, C, and G) are heavily biased toward the incorporation of G and C, which form a more stable base pair than A and U. We therefore asked whether replacing adenine (A) with diaminopurine (D) might lead to more efficient and less biased nonenzymatic template copying by making a stronger version of the A:U pair. As expected, primer extension substrates containing D bound to U in the template more tightly than substrates containing A. However, primer extension with D exhibited elevated reaction rates on a C template, leading to concerns about fidelity. Our crystallographic studies revealed the nature of the D:C mismatch by showing that D can form a wobble-type base pair with C. We then asked whether competition with G would decrease the mismatched primer extension. We performed nonenzymatic primer extension with all four activated nucleotides on randomized RNA templates containing all four letters and used deep sequencing to analyze the products. We found that the DUCG genetic system exhibited a more even product distribution and a lower mismatch frequency than the canonical AUCG system. Furthermore, primer extension is greatly reduced following all mismatches, including the D:C mismatch. Our study suggests that D deserves further attention for its possible role in the RNA World and as a potentially useful component of artificial nonenzymatic RNA replication systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

AEOLIAN INTERDUNE FACIES OF THE NAVAJO SANDSTONE, UTAH

During the Early Jurassic an extensive desert environment covered a large area of the Western Interior of the USA. The Navajo Sandstone erg is thought to be one of the largest dunefields preserved in the rock record, estimated to have covered well over 500,000 km2, though the preserved extent is less due to erosion. The Navajo Sandstone outcrops extensively in eastern and southern Utah, forming spectacular domes and arches, including those in Arches National Park. Navajo Sandstone aeolian dunes consist of stacked, tabular sandstone bodies, displaying steeply dipping crossbedding, and are on average 15 m thick, with high porosity and permeability. In addition to these extensive paleodunes, interdune deposits are also documented, consisting of lensoid sandstone or pale grey limestone, of approximately 1-7 m thick. This research forms part of a broader investigation into the Navajo Sandstone in Utah, focusing on its potential as a CO2 reservoir. The internal stratigraphy of the Navajo Sandstone can be complex, with multiple types of aeolian surfaces present including discontinuous inter-dune contacts, and inclined bedding planes associated with large climbing dunes. Interdune deposits may be associated with more laterally extensive stratigraphic surfaces, highlighting their importance in the internal stratigraphic framework of the Navajo Sandstone erg. Here we interpret facies and depositional processes of aeolian interdune deposits of the Navajo Sandstone throughout Utah, using well log, outcrop, and thin sections. Interdune deposits range in type from short lived, small ponds of predominantly reworked aeolian sediment, to comparatively long-lived oases consisting of lakes with extensive ecosystems. This project aims to increase our understanding of an important potential CO2 reservoir, and enhance understanding of stratigraphic complexity within one of the world's most significant aeolian systems.

Mahon, Elizabeth (ORCID:0000000252692454)↗

MISIP: a data standard for the reuse and reproducibility of any stable isotope probing-derived nucleic acid sequence and experiment

DNA/RNA-stable isotope probing (SIP) is a powerful tool to link in situ microbial activity to sequencing data. Every SIP dataset captures distinct information about microbial community metabolism, process rates, and population dynamics, offering valuable insights for a wide range of research questions. Data reuse maximizes the information derived from the labor and resource-intensive SIP approaches. Yet, a review of publicly available SIP sequencing metadata showed that critical information necessary for reproducibility and reuse was often missing. Here, we outline the Minimum Information for any Stable Isotope Probing Sequence (MISIP) according to the Minimum Information for any (x) Sequence (MIxS) framework and include examples of MISIP reporting for common SIP experiments. Our objectives are to expand the capacity of MIxS to accommodate SIP-specific metadata and guide SIP users in metadata collection when planning and reporting an experiment. The MISIP standard requires 5 metadata fields—isotope, isotopolog, isotopolog label, labeling approach, and gradient position—and recommends several fields that represent best practices in acquiring and reporting SIP sequencing data (e.g., gradient density and nucleic acid amount). The standard is intended to be used in concert with other MIxS checklists to comprehensively describe the origin of sequence data, such as for marker genes (MISIP-MIMARKS) or metagenomes (MISIP-MIMS), in combination with metadata required by an environmental extension (e.g., soil). The adoption of the proposed data standard will improve the reuse of any sequence derived from a SIP experiment and, by extension, deepen understanding of in situ biogeochemical processes and microbial ecology.

Simpson, Abigayle↗

IDAES-PSE 2.6.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.6.0 Release Highlights Upcoming Changes IDAES will be switching to the new Pyomo solver interface in the next release. Whilst this will hopefully be a smooth transition for most users, there are a few important changes to be aware of. The new solver interface uses a different version of the IPOPT writer (“ipopt_v2”) and thus any custom configuration options you might have set for IPOPT will not carry over and will need to be reset. By default, the new Pyomo linear presolver will be activated with ipopt_v2. Whilst are working to identify any bugs in the presolver, it is possible that some edge cases will remain. IDAES will begin deploying a new set of scaling tools and APIs over the next few releases that make use of the new solver writers. The old scaling tools and APIs will remain for backward compatibility but will begin to be deprecated. New Models, Tools and Features New Intersphinx extension automatically linking Jupyter notebook examples to project documentation New end-to-end diagnostics example demonstrated on a real problem New complementarity formulation for VLE with cubic equations of state, backward compatibility for old formulation New solver interface with presolve (ipopt_v2) in support of upcoming changes to the initialization and APIs methods, with default set to ipopt to maintain backwards compatibility; this will deprecate once all examples have been updated New forecaster and parameterized bidder methods within grid integration library Updated surrogates API and examples to support Keras 3, with backwards compatibility for older formats such as TensorFlow SavedModel (TFSM) Updated costing base dictionary to include the 2023 cost year index value Updated ProcessBlock to include information on the constructing block class Updated Flowsheet Visualizer to allow visualize() method to return value and functions Bug Fixes Fixed bug in the Modular Property Framework that would cause errors when trying to use phase-based material balances with phase equilibria. Fixed bug in Modular Properties Framework that caused errors when initializing models with non-vapor-liquid phase equilibria. Fixed typos flagged by June update to crate-ci/typos and removed DMF-related exceptions Minor corrections of units of measurement handling in power plant waste/transport costing expressions, control volume material holdup expressions, and BTX property package parameters Fixed throwing >7500 numpy deprecation warnings by replacing scalar value assignment with element extraction and item iteration calls Testing and Robustness Migrated slow tests (>10s) to integration, impacting test coverage but also yielding a nearly 30% decrease in local test runtime Pinned pint to avoid issues with older supported Python versions Pinned codecov versions to avoid tokenless upload behavior with latest version Bumped extensions to version 3.4.2 to allow pointing to non-standard install location Deprecations and Removals Python 3.8 is no longer supported. The supported Python versions are 3.9 through 3.12 The Data Management Framework (DMF) is no longer supported. Importing idaes.core.dmf will cause a deprecation warning to be displayed until the next release The SOFC Keras surrogates have been removed. The current version of the SOFC surrogate model in the examples repository is a PySMO Kriging model.

AS↗

Investigation and Diagnosis of Faulty Data Channels in CMS Outer Tracker Module Testing

The High-Luminosity Large Hadron Collider (HL-LHC) is currently undergoing upgrades to improve its luminosity. In parallel, this requires an upgrade to the Compact Muon Solenoid (CMS)’s Outer Tracker, consisting of Pixel-Strip (PS) and Strip-Strip (2S) modules that can accurately track the path of charged particles originating from the collisions. It follows that such complex modules call for extensive testing, requiring a sophisticated Data Acquisition (DAQ) system that can perform specific tests to assess their performance. In addition, errors caused by the hardware of a given testing station, and its associated data channel, need to be accurately identified to guarantee proper testing of modules. We have developed a software extension to the Phase-II Outer Tracker Analyzer of Test Outputs (POTATO), which is a specialized software designed to analyze and grade all of the module tests through a centralized database. This extension categorizes and analyzes module test results by its station and data channel. Its analysis can be used to identify trends in grading that indicate issues in these channels’ grading process rather than in the individual modules. This poster shows our methodology and results for identifying faulty data channels. Using this extension, we can quickly diagnose and address problems in our DAQ system, ensuring proper evaluation corrections for each module.

Chen, Angus [Fermilab]↗

Investigation and Diagnosis of Faulty Data Channels in CMS Outer Tracker Module Testing

The High-Luminosity Large Hadron Collider (HL-LHC) is currently undergoing upgrades to improve its luminosity. In parallel, this requires an upgrade to the Compact Muon Solenoid (CMS)’s Outer Tracker, consisting of Pixel-Strip (PS) and Strip-Strip (2S) modules that can accurately track the path of charged particles originating from the collisions. It follows that such complex modules call for extensive testing, requiring a sophisticated Data Acquisition (DAQ) system that can perform specific tests to assess their performance. In addition, errors caused by the hardware of a given testing station, and its associated data channel, need to be accurately identified to guarantee proper testing of modules. We have developed a software extension to the Phase-II Outer Tracker Analyzer of Test Outputs (POTATO), which is a specialized software designed to analyze and grade all of the module tests through a centralized database. This extension categorizes and analyzes module test results by its station and data channel. Its analysis can be used to identify trends in grading that indicate issues in these channels’ grading process rather than in the individual modules. This poster shows our methodology and results for identifying faulty data channels. Using this extension, we can quickly diagnose and address problems in our DAQ system, ensuring proper evaluation corrections for each module.

Chen, Angus [Fermilab]↗

Cable-Driven Parallel Robot (CDPR) for Panelized Envelope Retrofits: Feasible Workspace Analysis

Recent decades have seen remarkable progress in the field of robotic-assisted construction. Cable-driven parallel robots (CDPRs) emerge as promising tools for automating construction processes, due to their advantageous features such as scalability, reconfigurability, compact design, and high payload-to-weight ratio. This paper uses a simple static model to determine the feasibility of a CDPR for overclad panel installation in building envelope retrofits. Given that the building facade needs to be a subset of the CDPR’s wrench-feasible workspace, we focus on the sensitivity of the workspace concerning various cable arrangements and CDPR frame sizes (e.g., height and width extensions). Our analysis indicates that no cable arrangement satisfies the requirement of complete facade coverage and avoids cable-to-panel collisions. Thus, frame extension is needed to enhance coverage. However, in densely populated areas where width extension is limited by space constraints, height extension alone is insufficient to guarantee full facade coverage. This paper pioneers the investigation of CDPRs for panelized envelope retrofits, showcasing their advantages and limitations and paving the way for further research and development.

Liu, Yifang↗

ReactionMechanismSimulator.jl: A modern approach to chemical kinetic mechanism simulation and analysis

Abstract We present ReactionMechanismSimulator.jl (RMS), a modern differentiable software for the simulation and analysis of chemical kinetic mechanisms, including multiphase systems. RMS has already been applied to problems in combustion, pyrolysis, polymers, pharmaceuticals, catalysis, and electrocatalysis. RMS is written in Julia, making it easy to develop and allowing it to take advantage of Julia's extensive numerical computing ecosystem. In addition to its extensive library of optimized analytic Jacobians, RMS can generate and use Jacobians computed using automatic differentiation and symbolically generated analytic Jacobians. RMS is demonstrated to be faster than Cantera and Chemkin in several benchmarks. RMS also implements an extensive set of features for analyzing chemical mechanisms, including a library of easy‐to‐call plotting functions, molecular structure resolved flux diagram generation, crash analysis, traditional sensitivity analysis, transitory sensitivity analysis, and an automatic mechanism analysis toolkit. RMS implements efficient adjoint and parallel forward sensitivity analyses. We also demonstrate the ease of adding new features to RMS.

Johnson, Matthew S.↗

Lowering entry barriers to developing custom simulators of distributed applications and platforms with SimGrid

Researchers in parallel and distributed computing (PDC) often resort to simulation because experiments conducted using a simulator can be for arbitrary experimental scenarios, are less resource-, labor-, and time-consuming than their real-world counterparts, and are perfectly repeatable and observable. Many frameworks have been developed to ease the development of PDC simulators, and these frameworks provide different levels of accuracy, scalability, versatility, extensibility, and usability. Further, the SimGrid framework has been used by many PDC researchers to produce a wide range of simulators for over two decades. Its popularity is due to a large emphasis placed on accuracy, scalability, and versatility, and is in spite of shortcomings in terms of extensibility and usability. Although SimGrid provides sensible simulation models for the common case, it was difficult for users to extend these models to meet domain-specific needs. Furthermore, SimGrid only provided relatively low-level simulation abstractions, making the implementation of a simulator of a complex system a labor-intensive undertaking. In this work we describe developments in the last decade that have contributed to vastly improving extensibility and usability, thus lowering or removing entry barriers for users to develop custom SimGrid simulators.

97 MATHEMATICS AND COMPUTING↗

Constraining cosmological parameters using the pairwise kinematic Sunyaev-Zel’dovich effect with CMB-S4 and future galaxy cluster surveys

We present a forecast of the pairwise kinematic Sunyaev-Zel’dovich (kSZ) measurement that will be achievable with the future CMB-S4 experiment. CMB-S4 is the next stage for ground-based cosmic microwave background experiments, with a planned wide-area survey that will observe approximately 50% of the sky. We construct a simulated sample of galaxy clusters that have been optically selected in a Legacy Survey of Space and Time–like survey and have spectroscopic redshifts. For this cluster sample, assuming the likelihood is Gaussian, we predict that CMB-S4 will reject the null hypothesis of zero pairwise kSZ signal at 36⁢𝜎. We estimate the effects of systematic uncertainties such as scatter in the mass-richness scaling relation and cluster miscentering. We find that these effects can reduce the signal-to-noise ratio of the CMB-S4 pairwise kSZ measurement by 20%. We explore the constraining power of the measured kSZ signal in combination with measurements of the galaxy clusters’ thermal SZ emission on two extensions to the standard cosmological model. The first extension allows the dark energy equation of state 𝑤 to vary. We find the CMB-S4 pairwise kSZ measurement yields a modest reduction in the uncertainty on 𝑤 by a factor of 1.36 over the Planck’s 2018 uncertainty. The second extension tests general relativity by varying the growth index 𝛾. In conclusion, we find that CMB-S4’s pairwise kSZ measurement will yield a 28⁢𝜎 constraint on 𝛾 and strongly constrain alternative theories of gravity.

79 ASTRONOMY AND ASTROPHYSICS↗

Connecting relativistic density functional theory to microscopic calculations

The development of systematic effective field theories (EFTs) for nuclear forces and advances in solving the nuclear many-body problem have greatly improved our understanding of dense nuclear matter and the structure of finite nuclei. For global nuclear calculations, density functional theories (DFTs) have been developed to reduce the complexity and computational cost required in describing nuclear systems. However, DFT often makes approximations and assumptions about terms included in the functional, which may introduce systematic uncertainties compared to microscopic calculations using EFTs. In this work, we investigate possible avenues of improving nuclear DFT using nonlinear relativistic mean-field (RMF) theory. We explore the impact of RMF model extensions by fitting the nonlinear RMF model to predictions of nuclear matter and selected closed-shell nuclei using four successful chiral EFT Hamiltonians. We find that these model extensions are impactful and important in capturing the physics present within chiral Hamiltonians, particularly for charge radii and neutron skins of closed-shell nuclei. However, there are additional effects that are not captured within the RMF model, particularly within the isoscalar sector of RMF theory. Additional model extensions and the reliability of the nonlinear RMF model are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗