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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 919 records · Page 51

Distribution Systems Planning and Analysis Framework for Indian Feeders - Partnership with BSES/BRPL

Integration of distributed energy resources (DER) such as photovoltaics, electric vehicles (EVs) and battery energy storage systems (BESS) is expected to rapidly increase in distribution systems in India. These grid edge resources can have adverse impacts on the grid and can provide additional revenue streams as well. To mitigate these impacts distribution planning and analysis is required. So this paper presents a framework which can be used to complete all steps involved in distribution planning and analysis. This framework uses data in the same format as is readily available with Indian utilities and processes it to generate detailed feeder models and loading profiles. This framework already includes multiple DER use cases such as peak shaving for BESS and EV demand modelling and can be easily extended to simulate a number of additional use cases. All of these use cases can be simulated in parallel for multi-year time series simulations using an integrated command line interface. A suit of grid readiness metrics are then evaluated for each simulation to determine required network upgrades and associated costs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Distribution Systems Planning and Analysis Framework for Indian Feeders: Preprint

Integration of distributed energy resources (DER) such as photovoltaics, electric vehicles (EVs) and battery energy storage systems (BESS) is expected to rapidly increase in distribution systems in India. These grid edge resources can have adverse impacts on the grid and can provide additional revenue streams as well. To mitigate these impacts distribution planning and analysis is required. So this paper presents a framework which can be used to complete all steps involved in distribution planning and analysis. This framework uses data in the same format as is readily available with Indian utilities and processes it to generate detailed feeder models and loading profiles. This framework already includes multiple DER use cases such as peak shaving for BESS and EV demand modelling and can be easily extended to simulate a number of additional use cases. All of these use cases can be simulated in parallel for multi-year time series simulations using an integrated command line interface. A suit of grid readiness metrics are then evaluated for each simulation to determine required network upgrades and associated costs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

How to simulate global cosmic strings with large string tension

Global string networks may be relevant in axion production in the early Universe, as well as other cosmological scenarios. Such networks contain a large hierarchy of scales between the string core scale and the Hubble scale, ln( f {sub a} / H ) ∼ 70, which influences the network dynamics by giving the strings large tensions T ≅ π f {sub a} {sup 2} ln( f {sub a} / H ). We present a new numerical approach to simulate such global string networks, capturing the tension without an exponentially large lattice.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Statistical ensemble analysis for simulating extrinsic noise-driven response in NF-κB signaling networks

Background: Gene expression profiles and protein dynamics in single cells have a large cell-to-cell variability due to intracellular noise. Intracellular fluctuations originate from two sources: intrinsic noise due to the probabilistic nature of biochemical reactions and extrinsic noise due to randomized interactions of the cell with other cellular systems or its environment. Presently, there is no systematic parameterization and modeling scheme to simulate cellular response at the single cell level in the presence of extrinsic noise. Results: In this paper, we propose a novel statistical ensemble method to simulate the distribution of heterogeneous cellular responses in single cells. We capture the effects of extrinsic noise by randomizing values of the model parameters. In this context, a statistical ensemble is a large number of system replicates, each with randomly sampled model parameters from biologically feasible intervals. We apply this statistical ensemble approach to the well-studied NF-κB signaling system. We predict several characteristic dynamic features of NF-κB response distributions; one of them is the dosage-dependent distribution of the first translocation time of NF-κB. Conclusion: The distributions of heterogeneous cellular responses that our statistical ensemble formulation generates reveal the effect of different cellular conditions, e.g., effects due to wild type versus mutant cells or between different dosages of external stimulants. Distributions generated in the presence of extrinsic noise yield valuable insight into underlying regulatory mechanisms, which are sometimes otherwise hidden.

59 BASIC BIOLOGICAL SCIENCES↗

Relating structure and composition with accessibility of a single catalyst particle using correlative 3-dimensional micro-spectroscopy

To understand how hierarchically structured functional materials operate, analytical tools are needed that can reveal small structural and chemical details in large sample volumes. Often, a single method alone is not sufficient to get a complete picture of processes happening at multiple length scales. Here we present a correlative approach combining three-dimensional X-ray imaging techniques at different length scales for the analysis of metal poisoning of an individual catalyst particle. The correlative nature of the data allowed establishing a macro-pore network model that interprets metal accumulations as a resistance to mass transport and can, by tuning the effect of metal deposition, simulate the response of the network to a virtual ageing of the catalyst particle. In conclusion, the developed approach is generally applicable and provides an unprecedented view on dynamic changes in a material’s pore space, which is an essential factor in the rational design of functional porous materials.

36 MATERIALS SCIENCE↗

Complex dislocation loop networks as natural extensions of the sink efficiency of saturated grain boundaries in irradiated metals

The development of radiation-tolerant structural materials is an essential element for the success of advanced nuclear energy concepts. A proven strategy to increase radiation resistance is to create microstructures with a high density of internal defect sinks, such as grain boundaries (GBs). However, as GBs absorb defects, they undergo internal transformations that limit their ability to capture defects indefinitely. Here, we show that, as the sink efficiency of GBs becomes exhausted with increasing irradiation dose, networks of irradiation loops form in the vicinity of saturated or near-saturated GB, maintaining and even increasing their capacity to continue absorbing defects. The formation of these networks fundamentally changes the driving force for defect absorption at GB, from “chemical” to “elastic.” Using thermally-activated dislocation dynamics simulations, we show that these networks are consistent with experimental measurements of defect densities near GB. Our results point to these networks as a natural continuation of the GB once they exhaust their internal defect absorption capacity.

36 MATERIALS SCIENCE↗

ASCR@40: Highlights and Impacts of ASCR’s Programs

A report compiled by the ASCAC Subcommittee on the 40-year history of ASCR for the U.S. Department of Energy’s Office of Advanced Scientific Computing Research. The Office of Advanced Scientific Computing Research (ASCR) sits within the Office of Science in the Department of Energy (DOE). Per their web pages, “the mission of the ASCR program is to discover, develop, and deploy computational and networking capabilities to analyze, model, simulate, and predict complex phenomena important to the DOE.” This succinct statement encompasses a wide range of responsibilities for computing and networking facilities; for procuring, deploying, and operating high performance computing, networking, and storage resources; for basic research in mathematics and computer science; for developing and sustaining a large body of software; and for partnering with organizations across the Office of Science and beyond. While its mission statement may seem very contemporary, the roots of ASCR are quite deep—long predating the creation of DOE. Applied mathematics and advanced computing were both elements of the Theoretical Division of the Manhattan Project. In the early 1950s, the Manhattan Project scientist and mathematician John von Neumann, then a commissioner for the AEC (Atomic Energy Commission), advocated for the creation of a Mathematics program to support the continued development and applications of digital computing. Los Alamos National Laboratory (LANL) scientist John Pasta created such a program to fund researchers at universities and AEC laboratories. Under several organizational name changes, this program has persisted ever since, and would eventually grow to become ASCR.

97 MATHEMATICS AND COMPUTING↗

ASCR@40: Four Decades of Department of Energy Leadership in Advanced Scientific Computing Research

Throughout its long history, the Office of Advanced Scientific Computing Research (ASCR) has built the critical technologies to ensure U.S. leadership in energy science and national security. It has made its parent agency, the Department of Energy (DOE) and its Office of Science, the world’s recognized leader in computational science. ASCR’s stated mission is “to discover, develop, and deploy computational and networking capabilities to analyze, model, simulate, and predict complex phenomena important to the DOE.” To accomplish this goal, ASCR oversees a large complex of computing and networking facilities and is responsible for procuring, deploying and operating high-performance computing (HPC), networking and storage resources; conducting basic research in mathematics and computer science; developing and sustaining a large body of software; and collaborating with other Office of Science programs, academia and industry. ASCR’s computational science leadership has a long history, predating even DOE’s inception. Applied mathematics and advanced computing were both elements of the Manhattan Project’s Theoretical Division. In the 1950s, DOE’s predecessor, the Atomic Energy Commission, created a mathematics program to develop and apply digital computing by supporting researchers at universities and AEC laboratories. Several organizational and name changes later, this program would grow and become ASCR.

97 MATHEMATICS AND COMPUTING↗

Digital twin framework for PIP-II linac: AI-driven multi-scale modeling from ion source to 800 MeV

The PIP-II superconducting linac at Fermilab is designed to deliver multi-megawatt proton beams for neutrino physics and other high-intensity applications. To expedite commissioning and enhance operational reliability, we have developed an EPICS-based data flow framework that seamlessly integrates digital twins (DT) with physical twins (PT). These digital twins comprise high-fidelity beam dynamics models or data-driven surrogate models connected to their physical counterparts through real-time diagnostics and advanced machine-learning algorithms.Central to this framework is Linac_Gen, an accelerated simulation tool that incorporates convolutional neural networks, random forests, and genetic algorithms to provide up to a tenfold speedup in optimizing the accelerator geometry model. An EPICS translator layer ensures interoperability by efficiently mapping lattice parameters across diverse simulation platforms.Our EPICS-based framework supports multiple operational modes—monitoring, passive learning, closed-loop control, and online learning—covering the entire machine lifecycle. By leveraging HPC resources and multi-objective optimization techniques, the digital twin enables adaptive trajectory correction, real-time fault detection, and predictive modeling of beam stability. This comprehensive approach paves the way for robust, high-intensity operation and data-driven accelerator R&D at Fermilab.

Pathak, Abhishek [Fermilab]↗

Network Reduction Algorithm for Developing Distribution Feeders for Real-Time Simulators

As advanced grid-support functions (AGF) become more widely used in grid-connected photovoltaic (PV) inverters, utilities are increasingly interested in their impacts when implemented in the field. These effects can be understood by modeling feeders in real-time simulators and test PV inverters using power hardware-in-the-loop (PHIL) techniques. This paper presents a novel feeder model reduction algorithm using a ruin & reconstruct methodology that enables large feeders to be solved and operated on real-time computing platforms. Two Hawaiian Electric feeder models in Synergi Electric's load flow software were converted to reduced order models in OpenDSS, and subsequently implemented in the OPAL-RT real-time digital testing platform. Smart PV inverters were added to the realtime model with AGF responses modeled after characterizing commercially available hardware inverters. Finally, hardware inverters were tested in conjunction with the real-time model using PHIL techniques so that the effects of AGFs on the feeders could be analyzed.

14 SOLAR ENERGY↗

Network Reduction Algorithm for Developing Distribution Feeders for Real-Time Simulators: Preprint

As advanced grid-support functions (AGF) become more widely used in grid-connected photovoltaic (PV) inverters, utilities are increasingly interested in their impacts when implemented in the field. These effects can be understood by modeling feeders in real-time systems and testing PV inverters using power hardware-in-the-loop (PHIL) techniques. This paper presents a novel feeder model reduction algorithm using a Monte Carlo method that enables large feeders to be solved and operated on real-time computing platforms. Two Hawaiian Electric feeder models in Synergi Electric's load flow software were converted to reduced order models in OpenDSS, and subsequently implemented in the OPAL-RT real-time digital testing platform. Smart PV inverters were added to the real-time model with AGF responses modeled after characterizing commercially available hardware inverters. Finally, hardware inverters were tested in conjunction with the real-time model using PHIL techniques so that the effects of AGFs on the choice feeders could be analyzed.

14 SOLAR ENERGY↗

Toward higher-radix switches with co-packaged optics for improved network locality in data center and HPC networks [Invited]

In this work, we study the network locality improvements that can be achieved by using co-packaged optics in data center and high-performance computing (HPC) networks. The increased escape bandwidth offered by co-packaged optics can enable switches with speeds of 51.2 Tb/s and beyond. From a network architecture perspective, the key advantages of introducing co-packaged optics at the switch points include the implementation of large-scale topologies of >12,000 end points with 4× higher bisection bandwidth and the reduction of the required number of switches by >40% compared with state-of-the-art approaches. From a network operation perspective, improved network locality and faster operation can be achieved since the higher-radix switches can mitigate the impact of network contention. Placing applications under fewer leaf switches reduces the number of packets that cross the spine switches in a leaf-spine topology. The proposed scheme is evaluated via discrete-event simulations: we initially evaluate the network locality properties of the system by using virtual-machine traces from a production data center, and we subsequently quantify the performance improvements by simulating an all-to-all pattern for a variety of message sizes over a number of nodes. The results suggest that co-packaged optics form a promising solution for keeping up with bandwidth scaling in future networks. The virtual-machine analysis shows that large-scale applications can be placed under up to 50% fewer first-level switches, while the network analysis shows speedups of up to 7.1, which translates to execution time reductions of up to 26% and 42.7% for applications with communication ratios of 0.3 and 0.5, respectively.

99 GENERAL AND MISCELLANEOUS↗

ManiPIO - Manipulate Process I/O

SAND2021-15053 O ManiPIO is a Python-based tool used to test Programmable Logic Controllers (PLCs), Industrial Control Systems (ICS), and ICS networks. It reads an input script to construct complex Events on ICS networks and uses the ModBus communication standard to communicate. Users can use ManiPIO to construct complex timelines of ICS communication events to simulate any number of network-based scenarios. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Hahn, Andrew↗

T&D LIBRA: Simulation Framework for Transmission and Distribution Load and IBR Assessment

This paper introduces T&D LIBRA, a HELICS-based dynamic co-simulation framework designed for transmission and distribution (T&D) load and inverter-based resource assessment. This framework is designed to model interactions between single-phase induction motors (i.e., Motor-D), distributed energy resources (DERs) and the transmission network, emphasizing system stability during fault conditions. The primary objective of this research is to study the fault-induced delayed voltage recovery (FIDVR) behavior of the T&D networks using the co-simulation framework and to compare the results with conventional PSS/E only simulations. Simulations are validated using T&D co-simulations with a single distribution node and the IEEE 123-bus distribution test case. The co-simulation results demonstrate the value of using T&D co-simulations to capture motor stalling, DER tripping and other sources of voltage diversity on distribution networks.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Two-dimensional overdamped fluctuations of the soft perovskite lattice in CsPbBr 3

Lead halide perovskites exhibit structural instabilities and large atomic fluctuations thought to impact their optical and thermal properties, yet detailed structural and temporal correlations of their atomic motions remain poorly understood. Here, these correlations are resolved in CsPbBr 3 crystals using momentum-resolved neutron and X-ray scattering measurements as a function of temperature, complemented with first-principles simulations. We uncover a striking network of diffuse scattering rods, arising from the liquid-like damping of low-energy Br-dominated phonons, reproduced in our simulations of the anharmonic phonon self-energy. Here, these overdamped modes cover a continuum of wave vectors along the edges of the cubic Brillouin zone, corresponding to two-dimensional sheets of correlated rotations in real space, and could represent precursors to proposed two-dimensional polarons. Further, these motions directly impact the electronic gap edge states, linking soft anharmonic lattice dynamics and optoelectronic properties. These results provide insights into the highly unusual atomic dynamics of halide perovskites, relevant to further optimization of their optical and thermal properties.

36 MATERIALS SCIENCE↗

Conversion and Validation of Distribution System Model from a QSTS-Based Tool to a Real-Time Dynamic Phasor Simulator

A software process is developed to convert distribution network models from a quasi-static time-series tool (OpenDSS) to a real-time dynamic phasor simulator (ePHASORSIM). The description of this process in this paper would be helpful for researchers who intend to perform similar conversions. The converter could be utilized directly by users of real-time simulators who intend to perform software-in-the-loop or hardware-in-the-loop tests on large distribution test feeders for a range of use cases, including testing functions of advanced distribution management systems against a simulated distribution system. In the future, the developers intend to release the conversion tool as open source to enable use by others.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Three-dimensional dendritic needle network model for alloy solidification

Here, we present a three-dimensional (3D) formulation of the multiscale Dendritic Needle Network (DNN) model for dendritic microstructure growth. This approach is aimed at simulating quantitatively the solidification dynamics of complex hierarchical networks in spatially extended dendritic arrays, hence bridging the scale gap between phase-field simulations at the scale of a few dendrites and coarse-grained simulations on the larger scale of entire polycrystalline structures. In the DNN model, the dendritic network is represented by a network of branches that interact through the solutal diffusion field. The tip velocity V(t) and tip radius ρ(t) of each needle is determined by combining a standard solvability condition that fixes the product ρ 2 V and a solute flux conservation condition that fixes the product ρV 2 in 2D and ρV in 3D as a function of a solutal flux intensity factor ℱ(t). The latter measures the intensity of the solute flux in the dendrite tip region and can be calculated by contour (2D) or surface (3D) integration around the tip of each needle. We first present an extended formulation of the 2D DNN model where needles have a finite thickness and parabolic tips. This formulation remains valid for a larger range of tip Péclet number than the original thin needle formulation and is readily extended to 3D needles with paraboloidal tips. The 3D DNN model based on this thick-needle formulation is developed for both isothermal and directional solidification. Model predictions are validated by comparisons with known analytical solutions that describe the early transient and steady-state growth regimes. We exploit the power of the DNN model to characterize the competitive growth of well-developed secondary branches in 3D on the scale of the diffusion length. The results show that the length of active secondary branches increases as a power law of distance behind the tip with an exponent in good quantitative agreement with experimental measurements. Finally, we apply the model to simulate the three-dimensional directional solidification of an Al-7wt% Si alloy, which we directly compare to observed microstructures from microgravity experiments onboard the International Space Station. The predictions of selected microstructural features, such as dendrite arm spacings, show a good agreement with experiments. The computationally-efficient DNN model opens new avenues for investigating the dynamics of large dendritic arrays at length and time scales relevant to solidification experiments and processes.

36 MATERIALS SCIENCE↗