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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Systematic Crosstalk Mitigation for Superconducting Qubits via Frequency-Aware Compilation

One of the key challenges in current Noisy Intermediate-Scale Quantum (NISQ) computers is to control a quantum system with high-fidelity quantum gates. There are many reasons a quantum gate can go wrong - for superconducting transmon qubits in particular, one major source of gate error is the unwanted crosstalk between neighboring qubits due to a phenomenon called frequency crowding. We motivate a systematic approach for understanding and mitigating the crosstalk noise when executing near-term quantum programs on superconducting NISQ computers. Here, we present a general software solution to alleviate frequency crowding by systematically tuning qubit frequencies according to input programs, trading parallelism for higher gate fidelity when necessary. The net result is that our work dramatically improves the crosstalk resilience of tunable-qubit, fixed-coupler hardware, matching or surpassing other more complex architectural designs such as tunable-coupler systems. On NISQ benchmarks, we improve worst-case program success rate by 13.3x on average, compared to existing traditional serialization strategies.

Computer architecture↗
DOE OSTI2024

COSMIC DAWN: Distributed Analysis of Wireless at Nextscale

Distributed Analysis of Wireless at Nextscale (DAWN) is a novel simulation framework for large-scale design-space exploration (DSE) of unmodified software-defined radio (SDR) applications interacting in a scalable, high-fidelity, virtual physics environment. The software-defined nature of the coupled software-physics simulation leverages hardware emulation to permit in-depth examination and modification of not only the electromagnetic environment, including each signal in flight, but also the precise state of system software and components. DAWN supports modular, customizable physics environments allowing realistic propagation effects so that computationally efficient empirical models, reduced order/surrogate models, or large-scale, high-fidelity, site-specific simulations can be used as a propagation medium based on scenario requirements. This paper introduces DAWN’s design and initial implementation, detailing key architectural components, including the Physics Realization Engine (PhyRE), Runtime Infrastructure for Simulation Environments (RISE), and the design space exploration (DSE) suite. It concludes with demonstrations using unmodified 4G/LTE software available from srsRAN on computing resources ranging from a small cluster to ORNL’s Frontier Exascale system.

Wise, Mike [ORNL] (ORCID:0000000266120641)↗
DOE OSTI2023

Plug-and-Play Methods for Integrating Physical and Learned Models in Computational Imaging: Theory, algorithms, and applications

Plug-and-play (PnP) priors constitute one of the most widely used frameworks for solving computational imaging problems through the integration of physical models and learned models. PnP leverages high-fidelity physical sensor models and powerful machine learning methods for prior modeling of data to provide state-of-the-art reconstruction algorithms. PnP algorithms alternate between minimizing a data fidelity term to promote data consistency and imposing a learned regularizer in the form of an image denoiser. Recent highly successful applications of PnP algorithms include biomicroscopy, computerized tomography (CT), magnetic resonance imaging (MRI), and joint ptychotomography. This article presents a unified and principled review of PnP by tracing its roots, describing its major variations, summarizing main results, and discussing applications in computational imaging. Additionally, we also point the way toward further developments by discussing recent results on equilibrium equations that formulate the problem associated with PnP algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

A Faster-Than-Real-Time Framework for Reliability-Oriented Simulation of PV Inverters

Physics-of-Failure (PoF) based reliability assessment for photovoltaic (PV) inverters requires long-duration electrical and electrothermal stress histories, yet generating such stress histories with high-fidelity switching models over year long mission profiles is computationally prohibitive. Conventional methods either sacrifice modeling fidelity for speed or require runtimes that are impractical for design iteration and uncertainty studies. To address this bottleneck, this paper presents a High-Performance Computing (HPC) based simulation frame work for faster-than-real-time reliability-oriented simulation. The proposed framework integrates the Average-to-Switching (A2S) method with parallel computing techniques to accelerate switching-level waveform reconstruction. We further introduce optimization strategies, including cluster merging and sensitivity based mission profile screening, to reduce the computational burden. Evaluated using real-world mission profile inputs and a MATLAB/Simulink switching-model reference, the framework reduces the simulation time for a one-year mission from an intractable multi-year duration to approximately 7.3 minutes while maintaining low waveform error. This acceleration provides a practical reliability-oriented simulation engine that can be coupled with component-specific aging models for subsequent PV inverter PoF assessment.

High-performance Computing↗
DOE OSTI2022

Accelerating Flash-X Simulations with Asynchronous I/O

Most high-fidelity physics simulation codes, such as Flash-X, need to save intermediate results (checkpoint files) to restart or gain insights into the evolution of the simulation. These simulation codes save such intermediate files synchronously, where computation is stalled while the data is written to storage. Depending on the problem size and computational requirements, this file write time can be a substantial portion of the total simulation time. In order to hide the I/O latency of checkpointing, asynchronous I/O methods have been introduced. These methods use background threads for performing I/O while the main threads continue with the simulation. The usage of background threads can compete for resources on the node as well as with communication. In this paper, we evaluate the overheads and the overall benefit of asynchronous I/O in HDF5 to simulations. Results from real-world high-fidelity simulations on the Summit supercomputer show that I/O operation is overlapped with application communication or computation or both, effectively hiding some or all of the I/O latency. Our evaluation shows that while using asynchronous I/O adds overhead to the application, the I/O time reduction is more significant, resulting in overall up to 1.5X performance speedup.

Jain, Rajeev↗
DOE OSTI2021

Hardware-in-the-Loop Testbed for Cyber-Physical Security of Photovoltaic Farms

In the last decades, modem grids with distributed energy resources, such as photovoltaic (PV) farms, are increasingly vulnerable to cyber-attacks that seriously affect the stability and performance of the power system. While cyber-physical security of smart grids is extensively studied, most of the existing work focuses on the grid level and neglects the modeling and features of device-level power electronics converters (PECs). Furthermore, establishing a high-fidelity simulation testbed that can simulate harmonic frequencies of the PV farm is in urgent need. In this paper, a high-fidelity and real-time hardware-in- the-loop testbed is built to simulate the harmonics of power electronics converters for cyber-physical security of PEC-enabled PV farms. Based on this testbed, the impact of typical cyber-attacks and physical faults on the PV converter can be analyzed, thus providing a foundation for cyber-attack detection, root cause diagnosis, and resilient control to mitigate the adverse effects of cyber-attacks.

14 SOLAR ENERGY↗
DOE OSTI2020

Scenario Creation and Power-Conditioning Strategies for Operating Power Grids with Two-Stage Stochastic Economic Dispatch

A significant difficulty associated with the use of stochastic programming to solve optimal power flow problems on a 5-minute timescale is the quality of renewable energy scenarios input by the user. This is especially true when considering power systems with high penetrations of renewable energy, e.g. wind power. This paper introduces the use of stochastic programming to solve the DC optimal power flow problem with scenarios drawn directly from high-fidelity data sets. Hence, the proposed method avoids the problem of lost physics by finding high-fidelity analogs that can describe future states of the system. Furthermore, this method can be simply extended to output multi-period scenarios to the stochastic program. We demonstrate the effectiveness of this technique by simulating dispatch operations on a synthetic test system over the course of a week.

94 GMLC - Grid Modernization Laboratory Consortium↗
DOE OSTI2022

Power Hardware-In-the-Loop Hydropower and Ultracapacitor Hybrid Testbed

Widespread deployment of a proof-of-concept technological solution for power system performance improvement can be accelerated through onsite demonstration and pilot projects. Digital real-time simulation with power hardware-in-the-loop in controlled lab environment is the precursor to de-risk the timely and efficient execution of field demonstration and pilot projects. However, the detailed process of development, characterization, and calibration of such high fidelity simulation testbed needs to be documented in a reproducible and publicly accessible manner to leverage across broader research and development communities. This paper presents such a laboratory testbed to study black start capability of a run-of-river hydro + ultracapacitor hybrid system. Beside the high-fidelity model of the islanded grid with hydropower unit, the testbed includes the energy storage, grid following inverter, and grid emulator hardware. Several aspects such as storage characterization, control and various parameter settings necessary to capture frequency transients during load restoration are described in a comprehensive manner, which led to an effective and timely execution of black start field demonstration with an actual hydropower plant.

13 HYDRO ENERGY↗
DOE OSTI2024

Quantum Circuit Partitioning for Scalable Noise-Aware Quantum Circuit Re-Synthesis

Re-synthesis techniques are utilized to optimize the quantum circuit. To enable scalable re-synthesis a divide-and-conquer approach is adopted that partitions the circuit into smaller blocks, which are optimized independently. Several algorithms have been proposed to minimize the block number while maximizing the gate count of each block. However, they vary in their performance and may not yield the highest output fidelity. We propose a reinforcement learning-based quantum circuit partitioning framework that incorporates the physical properties of the quantum hardware to maximize the output fidelity post-quantum circuit optimization. To accelerate the training, we also propose a noise injection method that enables on-the-fly optimization in the reinforcement learning environment, independent of the adopted optimization/re-synthesis method at the block level. We evaluate our approach compared to different partitioning techniques using various quantum benchmarks executed on IBM Q Hanoi quantum computer.

Charrwi, Mohammad Walid↗
DOE OSTI2024

Performance Characterization and Provenance of Distributed Task-based Workflows on HPC Platforms

Understanding performance and provenance of task-based workflows poses significant challenges, particularly in distributed configurations where resources are shared by multiple applications. Task-based workflow management systems further complicate performance predictability because of their dynamicity that subtly alters task execution order from run to run. In this paper we propose a layered characterization framework for performance and task provenance for Dask.distributed workflows running on high-performance computing (HPC) platforms. It collects data from jobs, the workflow management system, and the operating system to aid in understanding the performance of these workflows. Our approach encompasses three main contributions: first, an extension of Dask.distributed to capture high-fidelity task provenance using Mochi data services; second, the adaptation of the established HPC I/O characterization tool Darshan to gather high-fidelity I/O data, thereby enhancing the granularity of our analysis; and third, a framework to combine and process the collected data and provide helpful insights into performance characterization and reproducibility, alongside our lessons learned.

Dask↗
DOE OSTI2025

High-Performance Computing Based EMT Simulation: Power Grid with IBRs

Electromagnetic transient (EMT) simulation of power grids with high-fidelity models of inverter-based resources (IBRs) is time-consuming and difficult to scale. The necessity for high-fidelity models of IBRs that incorporate the dynamics of individual inverters within IBRs has been showcased in recent studies. These studies focused on events with partial power reduction in each IBR during a transmission line fault in the power grid. These types of events have been documented in multiple North American Electric Reliability Council (NERC) reports in the past decade. It is imperative then to find solutions to speed-up EMT simulations and scale the size of the region with IBRs studied in EMT simulations. In this paper, a combination of numerical simulation algorithms with high-performance computing techniques are employed in discretization and linear solvers employed in the proposed RE-INTEGRATE EMT simulation platform for power grid with IBRs. For ease of scalability, modular and object-oriented programming is used as these techniques are implemented. Additionally, automation software is developed to convert legacy software codes to the proposed RE-INTEGRATE EMT simulation platform. Thereafter, this platform is evaluated on multi-core central processing units (CPUs). Finally, scale-up tests are performed to showcase the scalability that is possible.

Marthi, Phani Ratna Vanamali [ORNL] (ORCID:0000000↗
DOE OSTI2020

Tomographic Reconstruction of the Neutron Time-Energy Spectrum from a Dense Plasma Focus

A dense plasma focus (DPF) nuclear fusion device is an attractive pulsed neutron source in many applications, due to its relatively large neutron yield, produced in a short time duration. In order to design a DPF that generates neutrons within a specified time profile, or generates a neutron energy spectrum with specific properties, it is necessary to be able to characterize and model the results of the fusion process releasing the neutrons. The time-energy spectrum of fusion neutrons is an ideal quantity to use to validate multiphysics codes that simulate the pinch and fusion processes, because it is a quantity that requires the physics of each of the stages leading up to and ending in the fusion reaction to be simulated correctly. In particular, since DPF fusion neutrons are not monoenergetic -- and there can often be several fusion pinches creating neutrons -- a computer simulation matching high quality neutron spectrum measurements provides great confidence in the fidelity of the simulation. In order to make such a comparison, it is first necessary to have quality measurements from which to infer the spectrum. In this work we pose neutron spectroscopy as the classical tomographic inverse problem from neutron time of flight data at multiple distances, but enhanced by using an additional measurement of the time profile of the fusion pinch near its source and by using detector pairs set up in a geometry that allows for scatter background subtraction. The detector pairs enhance the quality of the time of flight measurements, and the additional constraint posed by the measured time profile allows for reconstructions discretized as finely as the time measurements and in energy as finely as 100 keV, without the problem being underdetermined. We present results from a Deuterium-fueled DPF at the U.S. Department of Energy's Nevada National Security Site and show that we can infer the time-energy spectrum from our measurements for both single and multi-pinch fusion reactions with equal fidelity.

Catenacci, Jared↗
DOE OSTI2024

Advanced Shuttle Strategies for Parallel QCCD Architectures

Trapped ions (TIs) are at the forefront of quantum computing implementation, offering unparalleled coherence, fidelity, and connectivity. However, the scalability of TI systems is hampered by the limited capacity of individual ion traps, necessitating intricate ion shuttling for advanced computational tasks. The quantum charge-coupled device (QCCD) framework has emerged as a promising solution, facilitating ion mobility for universal quantum computation. Current QCCD architectures predominantly feature a linear topology, which is increasingly recognized as inefficient for complex quantum operations. Anticipating the shift toward more efficacious designs, this article introduces an innovative quantum scheduling strategy optimized for parallel QCCD topologies. Our strategy proposes a probabilistic formula for ion movement, alongside ingenious methods for local layer generation and layer compression, yielding a significant reduction in ion shuttle times. Through simulations, we demonstrate that our strategy not only substantially outstrips the linear model but also exhibits better performance over other parallel strategies that employ greedy algorithms. This is achieved through our nuanced resolution of complexities, such as traffic blocks and trap capacity limitations. The consequent reduction in shuttle operations leads to lower energy consumption and an enhancement in the quantum computer's fidelity, ultimately accelerating program execution times.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Implementation of early psychosis services in Latin America: A scoping review

Abstract Aim The evidence of the effectiveness and cost‐effectiveness of early intervention for psychosis (EIP) services has motivated their implementation worldwide. However, complex interventions of such EIP services require local adaptations to successfully match population needs and cultural differences. Latin America is a heterogenous region where EIP services are progressively being adopted. Our aim is to map such initiatives in the region with a focus on implementation outcomes. Methods A scoping review following the Preferred Reporting Items for Systematic review and Meta‐Analysis extension for Scoping Reviews guidelines was conducted. International and regional databases were searched for publications describing EIP programmes in the region. Besides mapping the services, we described implementation outcomes based on the Standards for Reporting Implementation Studies Checklist. Results Ten articles describing seven EIP initiatives from the region were found. Four countries were represented: Argentina, Brazil, Chile and Mexico. The implementation outcomes reporting was heterogenous, although it was possible to ascertain EIP services are feasible and adequate for the region's context. Also, there is some evidence of effectiveness in terms of reducing hospitalizations and improving symptoms. Information about fidelity measures was scarce and there was no information about costs or cost‐effectiveness. Conclusions Only a small proportion of Latin American countries have adopted EIP services. Although these programmes seem to be feasible and effective, data on other implementation outcomes, such as fidelity, cultural appropriateness, cost‐effectiveness and affordability are not available. This might in part explain why this effective approach has not been yet scaled‐up at nationwide levels.

Aceituno, David↗
DOE OSTI2021

Leveraging observed soil heterotrophic respiration fluxes as a novel constraint on global-scale models

Microbially-explicit models may improve understanding and projections of carbon dynamics in response to future climate change, but their fidelity in simulating global-scale soil heterotrophic respiration (RH), a stringent test for soil biogeochemical models, has never been evaluated. We used statistical global RH products, as well as 7,821 daily site-scale RH measurements, to evaluate the spatio-temporal performance of one first-order decay model (CASA-CNP) and two microbially-explicit biogeochemical models (CORPSE and MIMICS) that were forced by two different climate datasets. CORPSE and MIMICS did not provide any measurable performance improvement; instead, the models were highly sensitive to the meteorological input data used to drive them. Spatial RH variability was generally well simulated except in the northern middle latitudes (~50°N) and arid regions; models captured the seasonal variability of RH well, but showed more divergence in tropic and arctic regions. Our results demonstrate that the next generation of biogeochemical models shows promise, but also needs to be improved for realistic spatio-temporal variability of RH. Finally, we emphasize the importance of net primary production, soil moisture, and soil temperature inputs, and that jointly evaluating soil models for their spatial (global scale) and temporal (site scale) performance provides crucial benchmarks for improving biogeochemical models.

Jian, Jinshi↗
DOE OSTI2025

Advancements in Constitutive Model Calibration: Leveraging the Power of Full‐Field DIC Measurements and In Situ Load Path Selection for Reliable Parameter Inference

Accurate material characterization and model calibration are essential for computationally supported high-consequence engineering decisions. Historically, characterization and calibration methods (1) use simplified test specimen geometries and global data, (2) cannot guarantee that sufficient characterization data are collected for a specific model of interest, (3) use deterministic methods that provide best-fit parameter values with no uncertainty quantification, and (4) are sequential, inflexible, and time-consuming. This work brings together several recent advancements into an improved workflow called interlaced characterization and calibration (ICC) that advances the state-of-the-art in constitutive model calibration. The ICC paradigm (1) employs tools to efficiently use full-field data to calibrate high-fidelity material models, (2) aligns the data needed with the data collected by adopting an optimal experimental design protocol, (3) quantifies parameter uncertainty through Bayesian inference and (4) incorporates these advancements into a quasi real-time feedback loop. The ICC framework is demonstrated here on the calibration of a material model using simulated full-field data for an aluminium cruciform specimen being deformed biaxially. The cruciform is actively driven through the myopically preferred load path using Bayesian optimal experimental design, which selects load steps that yield the maximum expected information gain (EIG). Principal component analysis (PCA) is performed on the model predictions of full-field displacements, and fast surrogate models are built to approximate the input-output relationships of the expensive finite element model. Furthermore, the tools developed and demonstrated here show that high-fidelity constitutive models can be efficiently and reliably calibrated with quantified uncertainty, thus supporting credible decision-making and potentially increasing the agility of solid mechanics modelling by enabling utilization of computational simulations at earlier stages of the design cycle.

Bayesian optimal experimental design↗
DOE OSTI2020

Direct Numerical Simulation of the Flow through a Randomly Packed Pebble Bed

The proposition for molten salt and high-temperature gas-cooled reactors has increased the focus on the dynamics and physics in randomly packed pebble beds. Research is being conducted on the validity of these designs as a possible contestant for the fourth-generation nuclear power systems. A detailed understanding of the coolant flow behavior is required in order to ensure proper cooling of the reactor core during normal and accident conditions. In order to increase the understanding of the flow through these complex geometries and enhance the accuracy of lower-fidelity modeling, high-fidelity approaches such as direct numerical simulation (DNS) can be utilized. Nek5000, a spectral-element computational fluid dynamics (CFD) code, was used to develop DNS fluid flow data. The flow domain consisted of 147 pebbles enclosed by a bounding wall. In the work presented, the Reynolds numbers ranged from 430 to 1050 based on the pebble diameter and inlet velocity. Characteristics of the flow domain such as volume averaged porosity, axial porosity, and radial porosity were studied and compared with correlations available in the literature. Friction factors from the DNS results for all Reynolds numbers were compared with correlations in the literature. The first- and second-order statistics show good agreement with the available experimental data. Turbulence length scales were analyzed in the flow. Reynolds stress anisotropy was characterized by utilizing invariant analysis. Overall, the results of the analysis in this study provide deeper understanding of the flow behavior and the effect of the wall in packed beds.

Yildiz, Mustafa Alper↗
DOE OSTI2021

Comparing Global Spray Combustion Characteristics and Local Shot-to-Shot Variations in a Reacting n -Heptane Spray

In support of efforts to develop improved models of turbulent spray behavior and combustion in diesel engines, experimental data and analysis must be obtained for guidance and validation. For Reynolds-averaged Navier–Stokes (RANS)-based Computational fluid dynamics (CFD) modeling approaches, representative ensemble average experimental results are important. For high-fidelity models such as large eddy simulations (LES)-based CFD, precise individual experimental results are desirable. However, making comparisons between a given experiment and LES is a challenge since local parameters cannot be directly compared. In this work, an optically accessible constant pressure flow rig (CPFR) is utilized to acquire diesel-like fuel injection and reaction behavior simultaneously with three optical diagnostic techniques: rainbow Schlieren deflectometry (RSD), OH* chemiluminescence (OH*), and two-color pyrometry (2CP). The CPFR allows a large number of repeated injection experiments to be performed for statistical analysis and convergence using ensemble-averaging techniques, while maintaining highly repeatable test conditions. Even for stable test conditions, variations in local turbulent fuel–air mixing introduce variability, which manifests as significant differences in OH* and 2CP results. Experimental measurements of characteristic parameters including liquid and vapor jet penetration, liftoff length, soot temperature and concentration, and turbulent flame speed, along with the shot-to-shot variability of each dataset, are presented and discussed. Finally, a statistical method is utilized to analyze the extent of this variability, and to identify superlative injections within the dataset for discussion and analysis of shot-to-shot variations.

42 ENGINEERING↗