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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Bayesian optimization of the beam injection process into a storage ring

We have evaluated the data-efficient Bayesian optimization method for the specific task of injection tuning in a circular accelerator. In this paper, we describe the implementation of this method at the Karlsruhe Research Accelerator with up to nine tuning parameters, including the determination of the associated hyperparameters. We show that the Bayesian optimization method outperforms manual tuning and the commonly used Nelder-Mead optimization algorithm in both simulation and experiment. The algorithm was also successfully used to ease the commissioning phase after the installation of new injection magnets and is regularly used during accelerator operations. We demonstrate that the introduction of context variables that include intrabunch scattering effects, such as the Touschek effect, further improves the control and robustness of the injection process.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Secondary Use-Plug-and-Play Energy Storage System Composed of Multiple Energy Storage Technologies

Low-cost, grid-connectable energy storage technologies represent a significant challenge for the electric grid of the future. Energy storage technologies are in rapid development with targets to reduce the storage medium cost. However, a significant cost to deployment also comes in the integration. This paper presents the development of a plug-and-play system for supporting secondary use multiple battery systems into a single grid connectable unit. Results of the system design are demonstrated in a controller hardware in the loop (CHIL) platform. Simulations of two energy storage systems operating in parallel and dispatched optimally are presented.

Starke, Michael↗
DOE OSTI2021

Enhancing Distribution Grid Resilience Through Model Predictive Controller Enabled Prioritized Load Restoration Strategy

Effective resilience improvement strategies enable the power grid to cope with disruptive extreme events. Most power grid outages are caused by disruptions in distribution grids. Motivated by the urgent need for power system resilience research, this paper proposes a priority-weighted optimal load restoration technique to enhance the resilience of distribution grids against extreme events. The proposed technique is based on smart distribution technology and framed as sequential multi-step decision process (MDP) and mixed integer linear program (MILP). It is formulated as optimal control problem with a model predictive control (MPC) approach. We applied the devised MILP-MPC-based load restoration technique to a simplified single-bus version of the IEEE 13-bus distribution system with integrated distributed energy resources (DERs) such as wind turbine, photovoitaic array, microturbine, and energy storage device. The technique executes a reducing and rolling horizon optimization in each control step in real-time using the forecasted information of the renewables, the fuel status of the microturbine and the state of charge of the energy storage device. We consider an extreme event which triggered outage of the upstream utility grid and caused islanded operation of the distribution grid. We demonstrated the effectiveness of the proposed MPC approach in restoring the distribution grid loads based on their priority during the main grid outage-caused islanded operation.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

Enhancing Distribution Grid Resilience Through Model Predictive Controller Enabled Prioritized Load Restoration Strategy: Preprint

Effective resilience improvement strategies enable the power grid to cope with disruptive extreme events. Most power grid outages are caused by disruptions in distribution grids. Motivated by the urgent need for power system resilience research, this paper proposes a priority-weighted optimal load restoration technique to enhance the resilience of distribution grids against extreme events. The proposed technique is based on smart distribution technology and framed as sequential multi-step decision process (MDP) and mixed integer linear program (MILP). It is formulated as optimal control problem with a model predictive control (MPC) approach. We applied the devised MILP-MPC-based load restoration technique to a simplified single-bus version of the IEEE 13-bus distribution system with integrated distributed energy resources (DERs) such as wind turbine, photovoltaic array, microturbine, and energy storage device. The technique executes a reducing and rolling horizon optimization in each control step in real-time using the forecasted information of the renewables, the fuel status of the microturbine and the state of charge of the energy storage device. We consider an extreme event which triggered outage of the upstream utility grid and caused islanded operation of the distribution grid. We demonstrated the effectiveness of the proposed MPC approach in restoring the distribution grid loads based on their priority during the main grid outage-caused islanded operation.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

Enhancing Distribution Grid Resilience Through Model Predictive Controller Enabled Prioritized Load Restoration Strategy

Effective resilience improvement strategies enable the power grid to cope with disruptive extreme events. Most power grid outages are caused by disruptions in distribution grids. Motivated by the urgent need for power system resilience research, this paper proposes a priority-weighted optimal load restoration technique to enhance the resilience of distribution grids against extreme events. The proposed technique is based on smart distribution technology and framed as sequential multi-step decision process (MDP) and mixed integer linear program (MILP). It is formulated as optimal control problem with a model predictive control (MPC) approach. We applied the devised MILP-MPC-based load restoration technique to a simplified single-bus version of the IEEE 13-bus distribution system with integrated distributed energy resources (DERs) such as wind turbine, photovoltaic array, microturbine, and energy storage device. The technique executes a reducing and rolling horizon optimization in each control step in real-time using the forecasted information of the renewables, the fuel status of the microturbine and the state of charge of the energy storage device. We consider an extreme event which triggered outage of the upstream utility grid and caused islanded operation of the distribution grid. We demonstrated the effectiveness of the proposed MPC approach in restoring the distribution grid loads based on their priority during the main grid outage-caused islanded operation.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2025

Evaluating genetic and environmental controls on silicon accumulation in Populus trichocarpa leaves

Background and aims: Silicon (Si) accumulation and formation of non-crystalline silica particles (phytoliths) inside plant cells contribute to plant function, soil carbon storage, and Si reservoirs in soils. A better understanding of how genetic and environmental factors control Si accumulation may improve understanding of Si cycling between plants and soil and its impacts on other ecosystem processes. Methods: This study examined how genetic potential for Si uptake and silicification translated to Si concentrations and phytolith formation in Populus trichocarpa leaves. Leaves were collected from four different genotypes of cultivated poplar trees that were grown in a common garden and possess established differences in leaf-level gene expression related to Si transport and silicification. Scanning electron microscopy and subsequent image analysis were used to quantify Si concentrations and phytolith abundance and features. Results: Phytoliths were identified in nearly all leaves but were often absent at very low (< 0.5 wt.%) Si concentrations at the leaf surface. The proportion of leaf area occupied by phytoliths increased as Si content increased. Silicon content and phytolith abundance at the leaf surface did not vary across genotypes, but surface Si was weakly correlated with plant available Si in soil. Conclusion: Phytoliths were prevalent in P. trichocarpa leaves; however, the genetic potential for Si uptake and silicification at the leaf-level poorly predicted foliar Si and phytolith abundance. Uniformly low expression of Si uptake genes in the roots may have reduced differences across genotypes. Consequently, Si accumulation in leaves was likely more strongly influenced by soil Si bioavailability, phenology, or additional environmental factors.

Image analysis↗
DOE OSTI2023

Suppressing Structural Relaxation in Nanoscale Antimony to Enable Ultralow‐Drift Phase‐Change Memory Applications

Abstract Phase‐change random‐access memory (PCRAM) devices suffer from pronounced resistance drift originating from considerable structural relaxation of phase‐change materials (PCMs), which hinders current developments of high‐capacity memory and high‐parallelism computing that both need reliable multibit programming. This work realizes that compositional simplification and geometrical miniaturization of traditional GeSbTe‐like PCMs are feasible routes to suppress relaxation. While to date, the aging mechanisms of the simplest PCM, Sb, at nanoscale, have not yet been unveiled. Here, this work demonstrates that in an optimal thickness of only 4 nm, the thin Sb film can enable a precise multilevel programming with ultralow resistance drift coefficients, in a regime of ≈10 −4 –10 −3 . This advancement is mainly owed to the slightly changed Peierls distortion in Sb and the less‐distorted octahedral‐like atomic configurations across the Sb/SiO 2 interfaces. This work highlights a new indispensable approach, interfacial regulation of nanoscale PCMs, for pursuing ultimately reliable resistance control in aggressively‐miniaturized PCRAM devices, to boost the storage and computing efficiencies substantially.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

From classical to quantum dynamics of atomic and ionic species interacting with graphene and its analogue

Graphene and its analogues offer a broad range of application opportunities for (opto)-electronics, sensing, catalysis, phase separation, energy conversion and storage, etc. Engineering graphene properties often relies on its controllable functionalization, defect formation and patterning, and reactive gas etching. In this chapter, we survey the dynamics of graphene using classical and quantum-classical dynamics methods. We discuss the reactivity, scattering, and transmission of atomic and ionic species including Ar cluster ion, H/D, and H+/D+ on graphene flakes of various sizes, focusing on the atomic-scale motion and energy dissipation pathways involved in forming and breaking covalent bonding. Discussions on the nuclear quantum effects of light species, the effects of isotopic substitution, and the methodologies for such modeling are also included.

Garashchuk, Sofiya V.↗
DOE OSTI2026

Single-Molecule Electron Transport in Peptoids

Peptoids are structural analogs of peptides in which side chains are appended to the backbone nitrogen rather than the α-carbon. The sequence-defined modularity of peptoids enables precise control over structure−function relationships, enabling applications in energy storage and biomedical materials. Despite recent progress, the role of sequence and conformation on electron transport in peptoid molecules is not fully understood. Here, we synthesize a library of peptoid oligomers and characterize their molecular electronic properties using the scanning tunneling microscope-break junction (STM-BJ) technique. Our results show well-defined electron transport behavior for peptoid sequences containing aromatic side groups lacking hydrogen bonds (H-bonds) and without chemical substitutions at the N−C α position. This behavior fundamentally differs from electron transport in peptides, where H-bond interactions give rise to higher conductance states. All-atom molecular dynamics (MD) simulations are used to understand the conformational heterogeneity of peptoids, and molecular conformations obtained from MD simulations are used in quantum mechanical calculations based on the nonequilibrium Green’s function−density functional theory (NEGF-DFT) formalism. In all cases, computational results are in reasonable qualitative agreement with experiments. Our work demonstrates that the conductance behavior of peptoids depends on monomer identity, including side-chain aromaticity and substitution at the N−C α position. Overall, this work provides new insights into the structure−function relationships governing electron transport in peptoid-based materials and establishes design rules for peptoid-based molecular junctions.

Charge transport↗
DOE OSTI2024

PigmentHunter: A point-and-click application for automated chlorophyll-protein simulations

Chlorophyll proteins (CPs) are the workhorses of biological photosynthesis, working together to absorb solar energy, transfer it to chemically active reaction centers, and control the charge-separation process that drives its storage as chemical energy. Yet predicting CP optical and electronic properties remains a serious challenge, driven by the computational difficulty of treating large, electronically coupled molecular pigments embedded in a dynamically structured protein environment. To address this challenge, we introduce here an analysis tool called PigmentHunter, which automates the process of preparing CP structures for molecular dynamics (MD), running short MD simulations on the nanoHUB.org science gateway, and then using electrostatic and steric analysis routines to predict optical absorption, fluorescence, and circular dichroism spectra within a Frenkel exciton model. Inter-pigment couplings are evaluated using point-dipole or transition-charge coupling models, while site energies can be estimated using both electrostatic and ring-deformation approaches. The package is built in a Jupyter Notebook environment, with a point-and-click interface that can be used either to manually prepare individual structures or to batch-process many structures at once. Here, we illustrate PigmentHunter’s capabilities with example simulations on spectral line shapes in the light harvesting 2 complex, site energies in the Fenna–Matthews–Olson protein, and ring deformation in photosystems I and II.

14 SOLAR ENERGY↗
DOE OSTI2022

An Intelligent Power Electronic System for Secondary Use Batteries

This paper presents a plug-and-play power electronic system for integration of multiple energy storage system technologies. The system uses a communication and control architecture with individual developed modules to support scaling to larger systems for the electric grid. An optimization framework is also presented to demonstrate the functionality of the system. This system is shown to work in hardware with a constructed testbed to demonstrate different use cases and systems. Results are presented for a full efficiency cycle test.

Starke, Michael↗
DOE OSTI2022

A Fairness-based Distributed Energy Coordination for Voltage Regulation in Distribution Systems

The rapid adoption of photovoltaic (PV) systems combined with falling prices of energy storage is paving the way for a future in which customers could locally supply their energy needs and export surplus power to the grid. However, reverse power flow from multiple sites in a network can cause overvoltage that decreases system reliability and the utilization level of PV system. In this paper, we present a two-stage approach to solve the energy coordination problem in distribution networks. In the first stage, a household with PV and energy storage is optimized to allow customers to adopt different control strategies such as load following and tariff arbitrage. We show that such customer-led control strategies can cause reverse power flows during peak PV generation periods, thus resulting in overvoltage. In such cases, the second stage of the proposed approach is called upon to solve a fairness-based energy coordination problem that can maintain voltages within limits while maximizing the PV generation while fairly distributing the actions among all the PV systems. As a result, each of the resources in the network has equal opportunity to export power and shares the responsibility of voltage regulation. Simulation studies have been carried out on the IEEE 13-bus test feeder to verify the effectiveness of the proposed approach.

Distributed energy resources, fairness, overvoltag↗
DOE OSTI2024

Framework for Supporting Adaptive Droop Based Power Electronic Systems

The electric grid is evolving into an electrical network composed of power electronic converters interconnected with renewable and energy storage technologies. This requires the adoption of more advanced control such as volt/var regulation, fast frequency control, and active power frequency response. This work presents a communication and control framework to support dynamically changing droop control segments that can be used for different optimization schemes. Results are presented to work in a controller hardware in the loop testbed.

Starke, Michael↗
DOE OSTI2025

Ocelot: An Interactive, Efficient Distributed Compression-As-a-Service Platform With Optimized Data Compression Techniques

Large volumes of data generated by scientific simulations, genome sequencing, and other applications need to be moved among clusters for data collection/analysis. Data compression techniques have effectively reduced data storage and transfer costs. However, users' requirements on interactively controlling both data quality and compression ratios are non-trivial to fulfill. Here, we propose a novel Compression-as-a-Service (CaaS) platform called Ocelot with four important contributions: (1) It offers real-time visualization, interactive compression, and transfer of scientific datasets. (2) It incorporates new strategies for compressing diverse types of datasets more effectively than traditional methods. (3) It provides an effective method for estimating the compression ratio and execution time of compression tasks. (4) Experiments on multiple real-world datasets on geographically distributed computers show that Ocelot can significantly improve data transfer efficiency with a performance gain of more than 10x in computing clusters with relatively slow networks.

compression as a service (CaaS)↗
DOE OSTI2025

Topology-imprinting in nonlinear metasurfaces

Flat optical components, or metasurfaces, have transformed optical imaging, data storage, information processing, and biomedical applications by providing unprecedented control over light-matter interactions. These nano-engineered structures enable compact, multidimensional manipulation of light’s amplitude, phase, polarization, and wavefront, producing scalar and vector beams with unique properties such as orbital angular momentum and knotted topologies. This flexibility has potential applications in optical communication and imaging, particularly in complex environments such as atmospheric turbulence and undersea scattering. However, designing metasurfaces for shorter wavelengths, such as visible and ultraviolet light, remains challenging due to fabrication limitations and material absorption. Here, we introduce an innovative concept called topology imprinting using judiciously designed all-dielectric nonlinear optical metasurfaces to replicate desired waveforms at fundamental and harmonic frequencies, opening promising avenues for advanced photonic applications.

42 ENGINEERING↗
DOE OSTI2023

Efforts to enhance reproducibility in a human performance research project

Background: Ensuring the validity of results from funded programs is a critical concern for agencies that sponsor biological research. In recent years, the open science movement has sought to promote reproducibility by encouraging sharing not only of finished manuscripts but also of data and code supporting their findings. While these innovations have lent support to third-party efforts to replicate calculations underlying key results in the scientific literature, fields of inquiry where privacy considerations or other sensitivities preclude the broad distribution of raw data or analysis may require a more targeted approach to promote the quality of research output. Methods: We describe efforts oriented toward this goal that were implemented in one human performance research program, Measuring Biological Aptitude, organized by the Defense Advanced Research Project Agency's Biological Technologies Office. Our team implemented a four-pronged independent verification and validation (IV&V) strategy including 1) a centralized data storage and exchange platform, 2) quality assurance and quality control (QA/QC) of data collection, 3) test and evaluation of performer models, and 4) an archival software and data repository. Results: Our IV&V plan was carried out with assistance from both the funding agency and participating teams of researchers. QA/QC of data acquisition aided in process improvement and the flagging of experimental errors. Holdout validation set tests provided an independent gauge of model performance. Conclusions: In circumstances that do not support a fully open approach to scientific criticism, standing up independent teams to cross-check and validate the results generated by primary investigators can be an important tool to promote reproducibility of results.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Species-Specific Duplication Event Associated with Elevated Levels of Nonstructural Carbohydrates in Sorghum bicolor

Simple sugars are the essential foundation to plant life, and thus, their production, utilization, and storage are highly regulated processes with many complex genetic controls. Despite their importance, many of the genetic and biochemical mechanisms remain unknown or uncharacterized. Sorghum, a highly productive, diverse C4 grass important for both industrial and subsistence agricultural systems, has considerable phenotypic diversity in the accumulation of nonstructural sugars in the stem. We use this crop species to examine the genetic controls of high levels of sugar accumulation, identify genetic mechanisms for the accumulation of nonstructural sugars, and link carbon allocation with iron transport. We identify a species-specific tandem duplication event controlling sugar accumulation using genome-wide association analysis, characterize multiple allelic variants causing increased sugar content, and provide further evidence of a putative neofunctionalization event conferring adaptability in Sorghum bicolor. Comparative genomics indicate that this event is unique to sorghum which may further elucidate evolutionary mechanisms for adaptation and divergence within the Poaceae. Furthermore, the identification and characterization of this event was only possible with the continued advancement and improvement of the reference genome. The characterization of this region and the process in which it was discovered serve as a reminder that any reference genome is imperfect and is in need of continual improvement.

59 BASIC BIOLOGICAL SCIENCES↗