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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Cybersecurity Guidance for Distributed Energy Resource Management Systems (DERMS)

As part of the Securing Solar for the Grid (S2G): Cybersecurity for Solar Systems workshop at RE + in Las Vegas, Nevada, NREL researchers discuss an ongoing effort to develop cybersecurity guidance for vendors and operators of distributed energy resource management systems (DERMS). This guide will prioritize cybersecurity best practices that can be testing and developed for a potential future standard. This presentation will highlight NREL's ongoing work in this area and future areas of research.

cyber↗
DOE OSTI2025

Advancing Cybersecurity Through Technical Assistance

Electric grids around the world are undergoing rapid structural and operational change, making it more important than ever to understand evolving risks and improve grid resilience and security against natural and human disruptions. Through tailored technical assistance, NREL is working with partners to support the secure and resilient deployment of energy systems and address grid integration challenges.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Sensitivity analysis of design parameters in RowWise borehole layout for ground heat exchangers

Ground source heat pump systems offer a promising pathway toward energy-efficient building heating and cooling. The performance and cost-effectiveness of these systems heavily depend on the design of the ground heat exchanger (GHE), particularly the spatial placement of boreholes used in large commercial buildings. Among various borefield layout strategies, the RowWise approach generates and optimizes borehole configurations within irregular polygonal land boundaries, providing land-use efficiency and installation flexibility. While multiple geometric design parameters constrain the RowWise layout, their influence on the system thermal performance and total drilling requirements remains unclear. Thus, this study presents a sensitivity analysis of key design parameters influencing the RowWise layout of vertical borehole GHEs, including the perimeter spacing ratio, borehole spacing, borehole field rotation angle, and borehole length. GHEDesigner and Ray Tune are employed to generate and assess different RowWise configurations. A series of parametric simulations was conducted to quantify the impact of each parameter on geometric distribution, economic cost, and computational speed. The results provide critical insights into the sensitivity and relative importance of different design parameters of RowWise method, offering practical guidance for designers aiming to optimize GHE layouts by balancing thermal efficiency, land constraints, and economic feasibility.

Xu, Dikai [Purdue University]↗
DOE OSTI2022

Finite Element Simulation of the Acoustic Pressure Inside a Beverage Container for Non-Thermal, Ultrasound-based Pasteurization

The purpose of this effort is to investigate whether large acoustic pressure waves can be transmitted inside beverage containers to enable pasteurization. Acoustic waves are known to induce large nonlinear compressive forces and shock waves in fluids, suggesting that compression waves may be capable of damaging bacteria inside beverage containers without appreciably increasingly the temperature or altering the freshness and flavor of the beverage contents. Although a combined process such as thermosonication (e.g., sonication with heating) is likely more efficient, it is instructive to compute the acoustic pressure field distribution inside the beverage container. The COMSOL simulations used two and three-dimensional models of beverage containers placed in a water bath to compute the acoustic pressure field. A limitation of these COMSOL models is that they cannot determine the bacterial lysis efficiency, rather the models provide an indirect metric of bacterial lysis based on the magnitude of the pressure field and its distribution.

42 ENGINEERING↗
DOE OSTI2021

Modified equilibrium distributions for Cooper-Frye particlization

We introduce a positive-definite single-particle distribution that is suitable for describing the transition from a macroscopic hydrodynamic to a microscopic kinetic description during the late stages of heavy-ion collisions in the presence of moderately large viscous corrections. The modified equilibrium distribution function can be constructed with hydrodynamic input from either relativistic viscous fluid dynamics or anisotropic fluid dynamics. We test the modified equilibrium distribution's hydrodynamic output for a stationary hadron resonance gas subject to either shear stress, bulk pressure, or baryon diffusion current at a given freeze-out temperature and baryon chemical potential. While it does not reproduce all components of the net baryon current and energy-momentum tensor exactly, it significantly improves upon the customary linearized approximations for the nonequilibrium correction δf n which typically lead to unphysical negative distribution functions at large particle momenta. A comparison of particle spectra and p T –differential elliptic flow coefficients from the Cooper–Frye formula computed with the modified equilibrium distribution and with linearized δf n corrections is presented, for two different (2 + 1)–dimensional hypersurfaces corresponding to central and noncentral Pb + Pb collisions at the Large Hadron Collider (LHC).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Diaspora: Resilience-enabling services for science from HPC to edge

Scientific applications of interest to DOE must increasingly engage distributed resources (e.g., instruments, remote computers, data stores, edge devices) and deliver more stringent levels of service (e.g., uninterrupted processing of experiment data streams). In such systems, state is distributed and components can fail in many ways, often silently, making application resilience a major concern. Addressing the resilience needs of such applications requires methods for gaining knowledge of resources and applications and for translating that knowledge into action. We are working on addressing these needs in the context of multi-messenger astronomy, where detecting and responding to unusual transient events in multiple cosmic messengers (gravitational wave, electromagnetic, high- energy particles) from different instruments leads to a federated learning problem.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Quantum Key Distribution for Critical Infrastructures: Towards Cyber-Physical Security for Hydropower and Dams

Hydropower facilities are often remotely monitored or controlled from a centralized remote control room. Additionally, major component manufacturers monitor the performance of installed components, increasingly via public communication infrastructures. While these communications enable efficiencies and increased reliability, they also expand the cyber-attack surface. Communications may use the internet to remote control a facility’s control systems, or it may involve sending control commands over a network from a control room to a machine. The content could be encrypted and decrypted using a public key to protect the communicated information. These cryptographic encoding and decoding schemes become vulnerable as more advances are made in computer technologies, such as quantum computing. In contrast, quantum key distribution (QKD) and other quantum cryptographic protocols are not based upon a computational problem, and offer an alternative to symmetric cryptography in some scenarios. Although the underlying mechanism of quantum cryptogrpahic protocols such as QKD ensure that any attempt by an adversary to observe the quantum part of the protocol will result in a detectable signature as an increased error rate, potentially even preventing key generation, it serves as a warning for further investigation. In QKD, when the error rate is low enough and enough photons have been detected, a shared private key can be generated known only to the sender and receiver. We describe how this novel technology and its several modalities could benefit the critical infrastructures of dams or hydropower facilities. The presented discussions may be viewed as a precursor to a quantum cybersecurity roadmap for the identification of relevant threats and mitigation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Using Parameter Sweep in WaterTAP to Analyze New Water Treatment Technologies

We describe a powerful and generalized parameter sweep tool in this report that was originally developed to analyze the performance of existing and novel water treatment models being developed in WaterTAP. Since WaterTAP is built upon IDAES and Pyomo, the parameter sweep tool can be used to systematically explore and debug the behavior of most Pyomo and IDAES numerical models. In order to enable meaningful analyses, the parameter sweep tool has been designed with the following features: 1) Model flexibility: The parameter sweep tool does not enforce any restrictions on the types of models that can be used with it. As long as a Pyomo model can be solved and the parameter is active and mutable, the tool only needs functions that describe how to run the model, the sweep parameters, and the output quantities of interest. 2) Flexible sampling: The parameter sweep tool has inbuilt functions to generate samples from a random distribution or a multidimensional Euclidean space. Furthermore, the users have to ability to supply samples generated from a tool of their choice. 3) Multiple sweep types: A user can choose from one of 3 types of parameter sweeps depending on their needs. 4) Detailed outputs: Outputs generated by the parameter sweep tool can be stored in detailed H5 file or user-friendly CSV files for post processing. 5) Parallel computing: The parameter sweep supports shared and distributed memory parallel computing to enable the use of high performance computers (HPC) for large-scale analyses. 6) Modular: The parameter sweep tool is self-contained and can easily be integrated within an outer-loop analysis or as desired by the user. 7) Ease of use: The tool is well documented and a simple sweep can be easily executed by following the online documentation in a few lines of code. We demonstrate the use of the parameter sweep tool on a simple water treatment system from the WaterTAP repository and show its parallel scaling performance on an Apple laptop and NREL's Eagle HPC. The parameter sweep tool is actively being used with models currently being developed within WaterTAP and we expect its use to grow beyond it to other IDAES and Pyomo models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Lattice-QCD Computable Quark Correlation Functions at Three-Loop Order and Extraction of Splitting Functions

We present the first complete next-to-next-to-next-to-leading-order calculation of the matching coefficients that link unpolarized flavor nonsinglet parton distribution functions with lattice QCD computable correlation functions. By using this high-order result, we notice a reduction in theoretical uncertainties compared to relying solely on previously known lower-order matching coefficients. Furthermore, based on this result we have extracted the three-loop unpolarized flavor nonsinglet splitting function, which is in agreement with the state-of-the-art result. Because of the simplicity of our method, it has the potential to advance the calculation of splitting functions to the desired four-loop order.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Elucidating the geometric and electronic structure of a fully sulfided analog of an Anderson polyoxomolybdate cluster

The catalytic activity of transition metal sulfide (TMS) clusters in small molecule activation, redox transformations, and charge transfer has inspired the design of novel TMS-based materials for energy-related catalysis and chemical applications. Polyoxometalates (POMs), known for their structural diversity, can in principle be transformed into TMS clusters; however, fully sulfided analogs are rarely isolated, likely due to the strong tendency of uncapped TMS clusters to agglomerate. Here, we report the geometric and electronic structure of a capping ligand-free fully sulfided analog of heptamolybdate Anderson POM [Mo VI 7 O 24 ] 6− , synthesized through the sulfidation of a nanoconfined POM secured within a porous Zr-metal organic framework (NU-1000). A combined computational and experimental analysis indicates that the sulfided counterpart of the Anderson POM is geometrically and electronically more sophisticated than the parent POM. Comparison of experimental pair distribution function (PDF) data with computational simulations confirms that, unlike the oxygen-only [Mo VI 7 O 24 ] 6− cluster, the [Mo IV 7 (μ 3 -S) 6 (μ 2 -SH) 6 (S 2 ) 6 ] 2− polythiometalate (PTM) exhibits diverse sulfur anions (S 2− , HS − , S 2 2− ). DFT calculations indicate that H 2 S acts as a reducing agent, and together with terminal disulfide (S 2 2− ) ligands in the PTM structure, facilitates the complete reduction of all seven Mo VI centers in the parent POM to Mo IV . These findings are supported by X-ray photoelectron spectroscopy (XPS), which confirms exclusive Mo IV , and elemental analysis, which shows quantitative sulfur incorporation. Difference envelope density (DED) mapping further reveals that the PTM clusters are spatially confined within the MOF pores, preventing agglomeration and preserving molecular integrity.

Rabbani, S. M. Gulam [The Ohio State University, C↗
DOE OSTI2021

X-ray computed tomography-based porosity analysis: Algorithms and application for porous woody biomass

The properties of lignocellulosic biomass, such as bulk physical, thermal, and mechanical properties, as well as the mobility of enzymes or catalysts, are largely affected by porosity, pore structures, and pore size distribution. While X-ray computed tomography (CT) has been introduced to effectively produce 3D volumetric images of material microstructure, a quantitative porosity analysis from the 3D images has never been done. This work introduces a first-of-its-kind X-ray CT-based quantitative porosity analysis method and applies the developed toolkit to characterize the internal porosity distribution of loblolly pine. A sample loblolly pine chip was scanned by a nano-resolution X-ray CT system and digitally reconstructed after a sequence of image processing operations. Here, a comprehensive porosity analysis was then performed to quantify the envelope porosity, the spatial distribution of local porosity, and the directional porosity. Solutions to the various challenges in image processing, porosity calculation, and large data handling are provided.

42 ENGINEERING↗
DOE OSTI2025

EJFAT Scientific Perspective

Presented new computing model to the test by deploying the EJFAT system alongside a data-stream processing framework running the production-level CLAS12 event reconstruction application. In this experiment, a continuous stream of CLAS12 Level-1 identified events was processed in real-time using the EJFAT load balancer, distributing the workload across 90 computing nodes located across the U.S. This marks the first-ever large-scale, real-time distributed data stream processing experiment, demonstrating that scientific data-streaming pipelines can efficiently scale across four dimensions, thanks to EJFAT’s advanced hardware and software capabilities.

Gyurjyan, Vardan [Thomas Jefferson National Accele↗
DOE OSTI2020

Automated Integration of Continental-Scale Observations in Near-Real Time for Simulation and Analysis of Biosphere–Atmosphere Interactions

The National Ecological Observatory Network (NEON) is a continental-scale observatory with sites across the US collecting standardized ecological observations that will operate for multiple decades. To maximize the utility of NEON data, we envision edge computing systems that gather, calibrate, aggregate, and ingest measurements in an integrated fashion. Edge systems will employ machine learning methods to cross-calibrate, gap-fill and provision data in near-real time to the NEON Data Portal and to High Performance Computing (HPC) systems, running ensembles of Earth system models (ESMs) that assimilate the data. For the first time gridded EC data products and response functions promise to offset pervasive observational biases through evaluating, benchmarking, optimizing parameters, and training new machine learning parameterizations within ESMs all at the same model-grid scale. Leveraging open-source software for EC data analysis, we are already building software infrastructure for integration of near-real time data streams into the International Land Model Benchmarking (ILAMB) package for use by the wider research community. We will present a perspective on the design and integration of end-to-end infrastructure for data acquisition, edge computing, HPC simulation, analysis, and validation, where Artificial Intelligence (AI) approaches are used throughout the distributed workflow to improve accuracy and computational performance.

Durden, David J.↗
DOE OSTI2022

Layered Coordination Architecture for Resilient Restoration of Power Distribution Systems

The current practices for restoring critical services in the distribution system during a disaster, align with the traditional centralized ideology of distribution systems operations. A central processor evaluates the distribution system after a disruption and attains a restoration plan. However, the centralized operational paradigm is susceptible to single-point failures, requires full situational awareness of the distribution system, and poses scalability challenges for large multifeeder distribution systems. This motivates a distributed decision-making paradigm where multiple agents solve smaller subproblems and jointly coordinate their individual decisions to achieve the global/network-level objective. Toward this goal, we propose a layered architecture for distributed algorithms for resilience and a two-stage distributed algorithm for distribution system restoration. The proposed distributed decision-making framework enables the bottom-up restoration of the distribution system using all available resources, including distributed generation, while only requiring local awareness and limited communications with neighboring connected regions. The proposed framework is robust to single-point failures, enables autonomy using distributed algorithms, and had reduced computational cost compared to centralized optimization solutions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Phoebe: a high-performance framework for solving phonon and electron Boltzmann transport equations

Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors, and energy conversion devices. Computational modeling can accurately predict material properties but, in order to be reliable, requires accurate descriptions of electron and phonon states and their interactions. While first-principles methods are capable of describing the energy spectrum of each carrier, using them to compute transport properties is still a formidable task, both computationally demanding and memory intensive, requiring integration of fine microscopic scattering details for estimation of macroscopic transport properties. To address this challenge, we present Phoebe—a newly developed software package that includes the effects of electron–phonon, phonon–phonon, boundary, and isotope scattering in computations of electrical and thermal transport properties of materials with a variety of available methods and approximations. This open source C++ code combines MPI-OpenMP hybrid parallelization with GPU acceleration and distributed memory structures to manage computational cost, allowing Phoebe to effectively take advantage of contemporary computing infrastructures. We demonstrate that Phoebe accurately and efficiently predicts a wide range of transport properties, opening avenues for accelerated computational analysis of complex crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Aggregate data‐driven dynamic modeling of active distribution networks with DERs for voltage stability studies

Abstract Electric distribution networks increasingly host distributed energy resources based on power electronic converter (PEC) toward active distribution networks (ADN). Despite advances in computational capabilities, electromagnetic transient models are limited in scalability because of their reliance on exact data about the distribution system and each of its components. Similarly, the use of the DER_A model, which is intended to examine the combined dynamic behavior of many DERs, is limited by the difficulty in parameterization. There is a need for improved dynamic models of DERs for use in large power system simulations for stability analysis. This paper proposes an aggregate model‐free, data‐driven approach for deriving a dynamic partitioned model (DPM) of ADNs. Detailed residential distribution feeders were first developed, including PEC‐based DERs and composite load models (CMLDs), from which the aggregated DPM was derived. The performance was evaluated through various case studies and validated against the detailed ADN model and state‐of‐the‐art DER_A model with CMLD. The data‐driven DPM achieved a of over 90%, accurately representing the aggregated dynamic behavior of ADNs. Furthermore, the DPM significantly accelerated the simulation process with a computational speedup of 68 times compared to the detailed ADN and a 3.5 times speedup compared to the DER_A CMLD model.

42 ENGINEERING↗
DOE OSTI2021

A study on computational fluid dynamics modeling of a refrigerated container for COVID-19 vaccine distribution with experimental validation

A key issue with the distribution of vaccines to prevent COVID-19 is the temperature level required during transport, storage, and distribution. Typical refrigerated transport containers can provide a temperature-controlled environment down to -30 °C. However, the Pfizer vaccine must be carefully transported and stored under a lower temperature between -80 °C and -60 °C. One way to provide the required temperature is to pack the vaccine vials into small packages containing dry ice. Dry ice sublimates from a solid to a gas, which limits the allowable transport duration. This can be mitigated by transporting in a -30 °C refrigerated container. Moreover, because the dry ice will sublimate and thereby release CO 2 gas into the transport container, monitoring the CO 2 concentration within the refrigerated container is also essential. In the present work, a 3D computational fluid dynamics model was developed based on a commercially available refrigerated container and validated with experimental data. The airflow, temperature distribution, and CO 2 concentration within the container were obtained from the simulations. The modeling results can provide guidance on preparing experimental setups, thus saving time and lowering cost, and also provide insight into safety precautions needed to avoid hazardous conditions associated with the release of CO 2 during vaccine distribution.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Visualizing Fault Induced Traveling Waves In Medium Voltage Systems

Traveling waves are induced in power systems during most transient events in the grid. These waves travel close to the speed of light in overhead lines and 50% to 60% the speed of light in underground cables. Even though traveling wave-based protection schemes for transmission systems are available commercially, traveling waves in medium voltage distribution networks are still in research space. Compared to transmission system, medium voltage distribution systems contain more reflections and refractions. Thus, visualization is challenging and is critical in locating faults in distribution network. To address this visualization challenge, this paper presents an open-source tool to visualize the traveling waves using Bewley lattice approach. The developed visualization tool will be useful for the protection engineers to detect and triangulate fault locations in the medium voltage systems and isolate the faults.

Bewley Lattice↗