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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Critical percolation on the kagome hypergraph

In this report we study the percolation critical surface of the kagome lattice in which each triangle is allowed an arbitrary connectivity. Using the method of critical polynomials, we find points along this critical surface to high precision. This kagome hypergraph contains many unsolved problems as special cases, including bond percolation on the kagome and (3, 12 2 ) lattices, and site percolation on the hexagonal, or honeycomb, lattice, as well as a single point for which there is an exact solution. We are able to compute enough points along the critical surface to find a very accurate fit, essentially a Taylor series about the exact point, that allows estimations of the critical point of any system that lies on the surface to precision rivaling Monte Carlo and traditional techniques of similar accuracy. We find also that this system sheds light on some of the surprising aspects of the method of critical polynomials, such as why it is so accurate for certain problems, like the kagome and (3, 12 2 ) lattices. The bond percolation critical points of these lattices can be found to 17 and 18 digits, respectively, because they are in close proximity, in a sense that can be made quantitative, to the exact point on the critical surface. We also discuss in detail a parallel implementation of the method which we use here for a few calculations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Ghost imaging second harmonic generation microscopy

Second harmonic generation (SHG) microscopy is useful for visualizing interfaces and sub-structures within a wide range of materials due to the propensity for SHG to occur in non-centrosymmetric environments. However, since SHG is a nonlinear process generally necessitating small focal sizes for higher peak powers, a raster scanning approach is usually needed to build an SHG image over a significant sample size. While raster scanning is effective, there is a cost in terms of the time needed to acquire the image and, also, some materials cannot withstand the higher optical intensities within the small focal volume. As such, we describe a SHG microscopy approach based on ghost imaging (GI), which enables imaging data to be collected in parallel rather than sequentially as in raster scanning techniques. We experimentally demonstrate the approach and combine GI-SHG with compressive sensing to make further substantial gains in reducing the amount of sampling required for image reconstruction. Furthermore, GI-SHG is shown to have significant advantages for imaging in highly scattering environments, partly because GI is a background-free approach requiring spatial correlations between photons that travel two paths, with one path entirely devoid of sample interaction. This basic property of GI means that only the photons that travel unimpeded through the sample preserve the spatial correlations needed to reconstruct the image, while more scattered photons do not contribute to the overall GI signal. Finally, we compare the image quality and sampling properties of three different reconstruction algorithms used for compressive sensing.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Misuse Detection for a Generalized SFR Test Reactor

Sodium-cooled Fast Reactors (SFRs) present unique challenges for international safeguards. SFRs possess neutron physics characteristics that if configured appropriately could produce more fissile material than consumed. An adversary state may choose to build an SFR, justified by a lack of domestic natural uranium and limited access or interest to procuring uranium from international markets. Once constructed, the state may choose to misuse the SFR for the purpose of diverting fissile plutonium from declared operation. This work shows that a demonstration SFR does not need to be configured as a plutonium breeder to create one Significant Quantity (SQ) of plutonium in a short amount of time (e.g., one to few years). However, such an extreme case of misuse would change the core reactivity in such a way as to be easily indicated by deviations of control rod position compared to declared operation. In this work a contrived SFR demonstration reactor was modeled for the purpose of exploring proliferation scenarios and how such misuse could be detected using the SFR's Reactor Data Acquisition System (RDAS). Typically, the International Atomic Energy Agency (IAEA) does not have access to the control rod position, power, thermal, pressure sensing and indicating systems of nuclear power plants. However, this work shows that such data streams can be compared against a parallel detailed simulation model (a Digital Twin) to detect possible misuse.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2020

Machine Learning for Distributed Acoustic Sensing data (MLDAS) v1.0.1

MLDAS is a Python-written package for exploratory data analysis and deep learning training on Distributed Acoustic Sensing data. The machine learning tools are powered by the PyTorch library and designed to work efficiently on large scale datasets using parallel computing. Various SLURM scripts as well as a tutorial have also been made available to allow geophysicists to quickly and easily implement the available tools in their analysis workflow on supercomputer facilities.

Dumont, Vincent↗
DOE OSTI2018

Remote Monitoring and Evaluation of Damage at a Decommissioned Nuclear Facility Using Acoustic Emission

Reinforced concrete systems used in the construction of nuclear reactor buildings, spent fuel pools, and related nuclear facilities are subject to degradation over time. Corrosion of steel reinforcement and thermal cracking are potential degradation mechanisms that adversely affect durability. Remote monitoring of such degradation can be used to enable informed decision making for facility maintenance operations and projecting remaining service life. Acoustic emission (AE) monitoring has been successfully employed for the detection and evaluation of damage related to cracking and material degradation in laboratory settings. This paper describes the use of AE sensing systems for remote monitoring of active corrosion regions in a decommissioned reactor facility for a period of approximately one year. In parallel, a representative block was cut from a wall at a similar nuclear facility and monitored during an accelerated corrosion test in the laboratory. Electrochemical measurements were recorded periodically during the test to correlate AE activity to quantifiable corrosion measurements. The results of both investigations demonstrate the feasibility of using AE for corrosion damage detection and classification as well as its potential as a remote monitoring technique for structural condition assessment and prognosis of aging structures.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

FROSch Preconditioners for Land Ice Simulations of Greenland and Antarctica

Numerical simulations of Greenland and Antarctic ice sheets involve the solution of large-scale highly nonlinear systems of equations on complex shallow geometries. This work is concerned with the construction of Schwarz preconditioners for the solution of the associated tangent problems, which are challenging for solvers mainly because of the strong anisotropy of the meshes and wildly changing boundary conditions that can lead to poorly constrained problems on large portions of the domain. In this study, two-level generalized Dryja--Smith--Widlund (GDSW)--type Schwarz preconditioners are applied to different land ice problems, i.e., a velocity problem, a temperature problem, as well as the coupling of the former two problems. We employ the message passing interface (MPI)--parallel implementation of multilevel Schwarz preconditioners provided by the package FROSch (fast and robust Schwarz) from the Trilinos library. The strength of the proposed preconditioner is that it yields out-of-the-box scalable and robust preconditioners for the single physics problems. To the best of our knowledge, this is the first time two-level Schwarz preconditioners have been applied to the ice sheet problem and a scalable preconditioner has been used for the coupled problem. The preconditioner for the coupled problem differs from previous monolithic GDSW preconditioners in the sense that decoupled extension operators are used to compute the values in the interior of the subdomains. Additionally, several approaches for improving the performance, such as reuse strategies and shared memory OpenMP parallelization, are explored. In our numerical study we target both uniform meshes of varying resolution for the Antarctic ice sheet as well as nonuniform meshes for the Greenland ice sheet. We present several weak and strong scaling studies confirming the robustness of the approach and the parallel scalability of the FROSch implementation. Among the highlights of the numerical results are a weak scaling study for up to 32,K processor cores (8,K MPI ranks and 4 OpenMP threads) and 566,M degrees of freedom for the velocity problem as well as a strong scaling study for up to 4,K processor cores (and MPI ranks) and 68,M degrees of freedom for the coupled problem.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

ZrO{sub 2}-ZnO composite thin films for humidity sensing

ZrO{sub 2}-ZnO composite thin films were grown by reactive DC magnetron sputtering. X-ray diffraction studies reveal the composite nature of the films with separate ZnO and ZrO{sub 2} phase. Scanning electron microscopy studies confirm the nanocrystalline structure of the films. The films were studied for their impedometric relative humidity (RH) sensing characteristics. The complex impedance plot was fitted with a standard equivalent circuit consisting of an inter-granular resistance and a capacitance in parallel. The DC resistance was found to be decreasing with increase in RH.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

FROSch Preconditioners for Land Ice Simulations of Greenland and Antarctica

Numerical simulations of Greenland and Antarctic ice sheets involve the solution of large-scale highly nonlinear systems of equations on complex shallow geometries. This work is concerned with the construction of Schwarz preconditioners for the solution of the associated tangent problems, which are challenging for solvers mainly because of the strong anisotropy of the meshes and wildly changing boundary conditions that can lead to poorly constrained problems on large portions of the domain. Here, two-level GDSW (Generalized Dryja–Smith–Widlund) type Schwarz preconditioners are applied to different land ice problems, i.e., a velocity problem, a temperature problem, as well as the coupling of the former two problems. We employ the MPI-parallel implementation of multi-level Schwarz preconditioners provided by the package FROSch (Fast and Robust Schwarz)from the Trilinos library. The strength of the proposed preconditioner is that it yields out-of-the-box scalable and robust preconditioners for the single physics problems. To our knowledge, this is the first time two-level Schwarz preconditioners are applied to the ice sheet problem and a scalable preconditioner has been used for the coupled problem. The pre-conditioner for the coupled problem differs from previous monolithic GDSW preconditioners in the sense that decoupled extension operators are used to compute the values in the interior of the sub-domains. Several approaches for improving the performance, such as reuse strategies and shared memory OpenMP parallelization, are explored as well. In our numerical study we target both uniform meshes of varying resolution for the Antarctic ice sheet as well as non uniform meshes for the Greenland ice sheet are considered. We present several weak and strong scaling studies confirming the robustness of the approach and the parallel scalability of the FROSch implementation. Among the highlights of the numerical results are a weak scaling study for up to 32 K processor cores (8 K MPI-ranks and 4 OpenMP threads) and 566 M degrees of freedom for the velocity problem as well as a strong scaling study for up to 4 K processor cores (and MPI-ranks) and 68 M degrees of freedom for the coupled problem.

58 GEOSCIENCES↗
DOE OSTI2022

High-Fidelity Ion State Detection Using Trap-Integrated Avalanche Photodiodes

Integrated technologies greatly enhance the prospects for practical quantum information processing and sensing devices based on trapped ions. High-speed and high-fidelity ion state readout is critical for any such application. Integrated detectors offer significant advantages for system portability and can also greatly facilitate parallel operations if a separate detector can be incorporated at each ion-trapping location. Here, we demonstrate ion quantum state detection at room temperature utilizing single-photon avalanche diodes (SPADs) integrated directly into the substrate of silicon ion trapping chips. Furthermore, we detect the state of a trapped Sr + ion via fluorescence collection with the SPAD, achieving 99.92(1)% average fidelity in 450 μs, opening the door to the application of integrated state detection to quantum computing and sensing utilizing arrays of trapped ions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Manipulation of Scattering Spectra with Topology of Light and Matter

Structured lights, including beams carrying spin and orbital angular momenta, radially and azimuthally polarized vector beams, as well as spatiotemporal optical vortices, have attracted significant interest due to their unique amplitude, phase front, polarization, and temporal structures, enabling a variety of applications in optical and quantum communications, micromanipulation, and super-resolution imaging. In parallel, structured optical materials, metamaterials, and metasurfaces consisting of engineered unit cells—meta-atoms, opened new avenues for manipulating the flow of light and optical sensing. While several studies explored structured light effects on the individual meta-atoms, their shapes are largely limited to simple spherical geometries. However, the synergy of the structured light and complex-shaped meta-atoms has not been fully explored. Here, in this paper, the role of the helical wavefront of Laguerre–Gaussian beams in the excitation and suppression of higher-order resonant modes inside all-dielectric meta-atoms of various shapes, aspect ratios, and orientations, is demonstrated and the excitation of various multipolar moments that are not accessible via unstructured light illumination is predicted. The presented study elucidates the role of the complex phase distribution of the incident light in shape-dependent resonant scattering, which is of utmost importance in a wide spectrum of applications ranging from remote sensing to spectroscopy.

42 ENGINEERING↗
DOE OSTI2019

Conservative explicit local time-stepping schemes for the shallow water equations

Here we develop explicit local time-stepping (LTS) schemes with second and third order accuracy for the shallow water equations. The system is discretized in space by a C-grid staggering method, namely the TRiSK scheme adopted in MPAS-Ocean, a global ocean model with the capability of resolving multiple resolutions within a single simulation. The time integration is designed based on the strong stability preserving Runge–Kutta (SSP-RK) methods, but different time step sizes can be used in different regions of the domain through the coupling of coarse-fine time discretizations on the interface, and are only restricted by respective local CFL conditions. The proposed LTS schemes are of predictor–corrector type in which the predictors are constructed based on Taylor series expansions and SSP-RK stepping algorithms. The schemes preserve some important physical quantities in the discrete sense, such as exact conservation of the mass and potential vorticity and conservation of the total energy within time truncation errors. Moreover, they inherit the natural parallelism of the original explicit global time-stepping schemes. Extensive numerical tests are presented to illustrate the performance of the proposed algorithms.

58 GEOSCIENCES↗
DOE OSTI2016

A poly-epoxy surface explored by Hartree-Fock ΔSCF simulations of C1s XPS spectra

Whereas poly-epoxy polymers represent a class of materials with a wide range of applications, the structural disorder makes them difficult to model. In the present work, we use good experimental model samples in the sense that they are pure, fully polymerized, flat and smooth, defect-free, and suitable for ultrahigh vacuum x-ray photoelectron spectroscopy, XPS, experiments. In parallel, we perform Hartree-Fock, HF, calculations of the binding energies, BEs, of the C1s electrons in a model molecule composed of the two constituents of the poly-epoxy sample. These C1s BEs were determined using the HF ΔSCF method, which is known to yield accurate values, especially for the shifts of the BEs, ΔBEs. We demonstrate the benefits of combining rigorous theory with careful XPS measurements in order to obtain correct assignments of the C1s XPS spectra of the polymer sample. Both the relative binding energies—by the ΔSCF method—and relative intensities—in the sudden approximation, SA, are calculated. It results in an excellent match with the experimental spectra. We are able to identify 9 different chemical environments under the C1s peak, where an exclusively experimental work would have found only 3 contributions. In addition, we observe that some contributions are localized at discrete binding energies, whereas others allow a much wider range because of the variation of their second neighbor bound polarization. Therefore, HF-ΔSCF simulations significantly increase the spectral resolution of XPS and thus offer a new avenue for the exploration of the surface of polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Linear complexity

We present factorization and solution phases for a new linear complexity direct solver designed for concurrent batch operations on fine-grained parallel architectures, for matrices amenable to hierarchical representation. We focus on the strong-admissibility-based $\mathscr{H}^{2}$ format, where strong recursive skeletonization factorization compresses remote interactions. We build upon previous implementations of $\mathscr{H}^{2}$ matrix construction for efficient factorization and solution algorithm design, which are illustrated graphically in stepwise detail. The algorithms are ‘blackbox’ in the sense that the only inputs are the matrix and right-hand side, without analytical or geometrical information about the origin of the system. We demonstrate linear complexity scaling in both time and memory on four representative families of dense matrices up to one million in size. Parallel scaling up to 16 threads is enabled by a multi-level matrix graph coloring and avoidance of dynamic memory allocations thanks to prefix-sum memory management. An experimental backward error analysis is included. We break down the timings of different phases, identify phases that are memory-bandwidth limited, and discuss alternatives for phases that may be sensitive to the trend to employ lower precisions for performance.

Boukaram, Wajih↗
DOE OSTI2020

Optimal Operation of a Hybrid Hydraulic Electric Architecture (HHEA) for Off-Road Vehicles Over Discrete Operating Decisions

Many off-highway machines including construction and agriculture equipment use hydraulics for power transmission and throttling as a means for control. Trends towards better efficiency and electrification have led to the creation of a novel Hybrid Hydraulic-Electric Architecture (HHEA) which could significantly reduce energy consumption and maintain control performance, even in machines that are too large to be directly electrified. This is achieved by using a set of common pressure rails to transmit the majority of power via power dense hydraulics and modulating the power with small electric motor-drives to achieve precise control. This paper proposes a computationally efficient method for computing the optimal sequence of pressure rail selections for the HHEA over finite drive cycles. This is useful for fairly comparing the novel architecture’s energy performance to existing architectures and for use in iterative optimal design of the architecture. The optimal control technique makes use of a static model of the architecture and losses. Constraints are enforced such that the drive cycle is repeatable. The constrained optimal operation is solved using a Lagrange multiplier technique that transforms the optimization into a small set of sub-problems by considering combinations of active constraints. Each of these sub-problems can be solved efficiently because loss calculations for all time steps can be computed in parallel. A case study of an off-road construction machine demon-strates that the HHEA reduces energy consumption by 2/3 compared to the baseline load sensing architecture.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

An engineered lactate oxidase based electrochemical sensor for continuous detection of biomarker lactic acid in human sweat and serum

Lactate levels in humans reveal intensity and duration of exertion and provide a critical readout for the severity of life-threatening illnesses such as pediatric sepsis. Using the lactate oxidase enzyme (Lox) from Aerococcus viridians, we demonstrated its functionality for lactate electrochemical sensing in physiological fluids in a lab setting. The structure and dynamics of LOx were validated by crystallography, X-ray scattering, and hydroxyl radical protein footprinting. This provided a validated protein template for understanding and designing an enzyme-based electrochemical sensing elements. Using this template, LOx enzyme variants were generated and compared. Comparison of the variants demonstrates that one exhibits effective lactate sensing at significantly reduced operating voltages. Additionally, we demonstrate that the four hexahistidine-tags on each enzyme tetramer are sufficient for immobilization to create a durable, functional sensor, with no need for a covalent attachment, enabling self-immobilization and eliminating the need for additional immobilization steps. The functionality of the LOx enzyme variants was verified at physiological lactate concentrations in both human serum (0–4 mM) and artificial sweat (0–100 mM) using 3-electrode setups for analysis of the three variants in parallel. Accuracy of measurement in both artificial sweat and human serum were high. Employing a microfluidic flow cell, we successfully monitored varying lactate levels in physiological fluids continuously over a 2h period. Overall, this optimized LOx enzyme, which self-immobilizes onto gold sensing electrodes, facilitates efficient and reliable lactate detection and continuous monitoring at reduced operating voltages suitable for further development towards commercial use.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Drought adaptation in Arabidopsis thaliana by extensive genetic loss-of-function

Interdisciplinary syntheses are needed to scale up discovery of the environmental drivers and molecular basis of adaptation in nature. Here we integrated novel approaches using whole genome sequences, satellite remote sensing, and transgenic experiments to study natural loss-of-function alleles associated with drought histories in wild Arabidopsis thaliana. The genes we identified exhibit population genetic signatures of parallel molecular evolution, selection for loss-of-function, and shared associations with flowering time phenotypes in directions consistent with longstanding adaptive hypotheses seven times more often than expected by chance. We then confirmed predicted phenotypes experimentally in transgenic knockout lines. These findings reveal the importance of drought timing to explain the evolution of alternative drought tolerance strategies and further challenge popular assumptions about the adaptive value of genetic loss-of-function in nature. These results also motivate improved species-wide sequencing efforts to better identify loss-of-function variants and inspire new opportunities for engineering climate resilience in crops.

Life Sciences & Biomedicine - Other Topics↗
DOE OSTI2021

High-resolution Bayesian spatial autocorrelation (SPAC) quasi-3-D Vs model of Utah FORGE site with a dense geophone array

SUMMARY We expand the application of spatial autocorrelation (SPAC) from typical 1-D Vs profiles to quasi-3-D imaging via Bayesian Monte Carlo inversion (BMCI) using a dense nodal array (49 nodes) located at the Utah Frontier Observatory for Research in Geothermal Energy (FORGE) site. Combinations of 4 and 9 geophones in subarrays provide for 36 and 25 1-D Vs profiles, respectively. Profiles with error bars are determined by calculating coherency functions that fit observations in a frequency range of 0.2–5 Hz. Thus, a high-resolution quasi-3-D Vs model from the surface to 2.0 km depth is derived and shows that surface-parallel sedimentary strata deepen to the west, consistent with a 3-D seismic reflection survey. Moreover, the resulting Vs profile is consistent with a Vs profile derived from distributed acoustic sensing (DAS) data located in a borehole at the FORGE site. The quasi-3-D velocity model shows that the base of the basin dips ∼22° to the west and topography on the basement interface coincident with the Mag Lee Wash suggests that the bedrock interface is an unconformity.

Geochemistry & Geophysics↗
DOE OSTI2019

Recovering noise-free quantum observables

We introduce a technique for recovering noise-free observables in noisy quantum systems by combining the results of many slightly different experiments. Our approach is applicable to a variety of quantum systems, but we illustrate it with applications to quantum information and quantum sensing. The approach corresponds to repeating the same quantum evolution many times with known variations on the underlying systems' error properties, e.g., the spontaneous emission and dephasing times $T_1$ and $T_2$. As opposed to standard quantum error correction methods, which have an overhead in the number of qubits (many physical qubits must be added for each logical qubit), our method has only an overhead in the number of evaluations, allowing the overhead to, in principle, be hidden via parallelization. We show that the effective spontaneous emission $T_1$ and dephasing $T_2$ times can be increased using this method in both simulation and experiments on an actual quantum computer. We also show how to correct more complicated entangled states and how Ramsey fringes relevant to quantum sensing can be significantly extended in time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗