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At least 433 records · Page 24

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DOE OSTI2020

Optimization-Based Fast-Frequency Estimation and Control of Low-Inertia Microgrids

The lack of inertial response from non-synchronous, inverter-based generation in microgrids makes the power system vulnerable to a large rate of change of frequency (ROCOF) and frequency excursions. Energy storage systems (ESSs) can be utilized to provide fast-frequency support to prevent such large excursions in the system. However, fast-frequency support is a power-intensive application that has a significant impact on the ESS lifetime. In this paper, a framework that allows the ESS operator to provide fast-frequency support as a service is proposed. The framework maintains the desired quality-of-service (limiting the ROCOF and frequency) while taking into account the ESS lifetime and physical limits. The framework utilizes moving horizon estimation (MHE) to estimate the frequency deviation and ROCOF from noisy phase-locked loop (PLL) measurements. These estimates are employed by a model predictive control (MPC) algorithm that computes control actions by solving a finite-horizon, online optimization problem. Additionally, this approach avoids oscillatory behavior induced by delays that are common when using low-pass filters as with traditional derivative-based (virtual inertia) controllers. MATLAB/Simulink simulations on a test system from Cordova, Alaska, show the effectiveness of the MHE-MPC approach to reduce frequency deviations and ROCOF of a low-inertia microgrid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Observability Analysis of a Power System Stochastic Dynamic Model Using a Derivative-Free Approach

Serving as a prerequisite to power system dynamic state estimation, the observability analysis of a power system dynamic model has recently attracted the attention of many power engineers. However, because this model is typically nonlinear and large-scale, the analysis of its observability is a challenge to the traditional derivative-based methods. Indeed, the linear-approximation-based approach may provide unreliable results while the nonlinear-technique-based approach inevitably faces extremely complicated derivations. Furthermore, because power systems are intrinsically stochastic, the traditional deterministic approaches may lead to inaccurate observability analyses. In this work, facing these challenges, we propose a novel polynomial-chaos-based derivative-free observability analysis approach that not only is free of any linear approximations, but also accounts for the stochasticity of the dynamic model while bringing a low implementation complexity. Furthermore, this approach enables us to quantify the degree of observability of a stochastic model, what conventional deterministic methods cannot do. The excellent performance of the proposed method has been demonstrated by performing extensive simulations using a synchronous generator model with IEEE-DC1A exciter and the TGOV1 turbine governor.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Adaptive Power System Emergency Control using Deep Reinforcement Learning

Power system emergency control is generally regarded as the final safety net for grid security and resiliency. Existing emergency control schemes are usually designed off-line based on either the conceived “worst” case scenarios or a few typical operation scenarios. These schemes are facing significant adaptiveness and robustness issues as increasing uncertainties and variations occur in modern electrical grids. To address these challenges, for the first time, this paper proposes a novel adaptive emergency control scheme using deep reinforcement learning (DRL), by leveraging the high-dimensional feature extraction and non-linear generalization capabilities DRL has for complex systems with high-dimensional variations. Furthermore, an open-source platform named DeepGrid has been designed for the first time to assist the DRL development and benchmarking processes in power system emergency control. Details of the platform, DRL, and emergency control schemes that use dynamic braking or under-voltage load shedding are presented. Extensive case studies performed in both two-area four-machine system and IEEE 39-Bus system have demonstrated the excellent performance and robustness of the proposed schemes.

Deep reinforcement learning, emergency control, lo↗

DOE OSTI2024

Local carbon reserves are insufficient for phloem terpene induction during drought in Pinus edulis in response to bark beetle–associated fungi

Stomatal closure during drought inhibits carbon uptake and may reduce a tree's defensive capacity. Limited carbon availability during drought may increase a tree's mortality risk, particularly if drought constrains trees' capacity to rapidly produce defenses during biotic attack. We parameterized a new model of conifer defense using physiological data on carbon reserves and chemical defenses before and after a simulated bark beetle attack in mature Pinus edulis under experimental drought. Attack was simulated using inoculations with a consistent bluestain fungus (Ophiostoma sp.) of Ips confusus, the main bark beetle colonizing this tree, to induce a defensive response. Trees with more carbon reserves produced more defenses but measured phloem carbon reserves only accounted for c. 23% of the induced defensive response. Our model predicted universal mortality if local reserves alone supported defense production, suggesting substantial remobilization and transport of stored resin or carbon reserves to the inoculation site. Our results show that de novo terpene synthesis represents only a fraction of the total measured phloem terpenes in P. edulis following fungal inoculation. Without direct attribution of phloem terpene concentrations to available carbon, many studies may be overestimating the scale and importance of de novo terpene synthesis in a tree's induced defense response.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

In-Situ Visualization of Long-Range Defect Interactions at the Edge of Melting

Connecting a bulk material’s microscopic defects to its macroscopic properties is an age-old problem in materials science. Long-range interactions between dislocations (line defects) are known to play a key role in how materials deform or melt, but we lack the tools to connect these dynamics to the macroscopic properties. We introduce time-resolved dark-field X-ray microscopy to directly visualize how dislocations move and interact over hundreds of micrometers, deep inside bulk aluminum. With real-time movies, we reveal the thermally activated motion and interactions of dislocations that comprise a boundary, and show how weakened binding forces inhomogeneously destabilize the structure at 99% of the melting temperature. Connecting dynamics of the microstructure to its stability, we provide important opportunities to guide and validate multiscale models that are yet untested.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Impact of solvation on the electronic resonances in uracil

Interactions of low-energy electrons with the DNA and RNA nucleobases are known to form metastable states, known as electronic resonances. In this work, we study electron attachment to solvated uracil, an RNA nucleobase, using the orbital stabilization method at the Equation of Motion-Coupled Cluster for Electron Affinities with Singles and Doubles (EOM-EA-CCSD) level of theory with the Effective Fragment Potential (EFP) solvation method. We benchmarked the approach using multireference methods, as well as by comparing EFP and full quantum calculations. The impact of solvation on the first one particle (1p) shape resonance, formed by electron attachment to the π* LUMO orbital, as well as the first two particle one hole (2p1h) resonance, formed by electron attachment to neutral uracil's π–π* excited state, was investigated. We used molecular dynamics simulations for solvent configurations and applied charge stabilization technique-based biased sampling to procure configurations adequate to cover the entire range of the electron attachment energy distribution. The electron attachment energy in solution is found to be distributed over a wide range of energies, between 4.6 eV to 6.8 eV for the 2p1h resonance, and between −0.1 eV to 2 eV for the 1p resonance. The solvent effects were similar for the two resonances, indicating that the exact electron density of the state is not as important as the solvent configurations. Multireference calculations extended the findings showing that solvation effects are similar for the lowest four resonances, further indicating that the specific solute electron density is not as important, but rather the water configurations play the most important role in solvation effects. Lastly, by comparing bulk solvation to clusters of uracil with a few water molecules around it, we find that the impact of microsolvation is very different from that of bulk solvation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Isotope physics of heat and particle transport with tritium in JET-ILW type-I ELMy H-mode plasmas

As part the DTE2 campaign in the JET tokamak, we conducted a parameter scan in T and D-T complementing existing pulses in H and D. For the different main ion masses, type-I ELMy H-modes at fixed plasma current and magnetic field can have the pedestal pressure varying by a factor of 4 and the total pressure changing from <?CDATA $\beta_{\mathrm{N}} = 1.0$?> β N = 1.0 to 3.0. We investigated the pedestal and core isotope mass dependencies using this extensive data set. The pedestal shows a strong mass dependence on the density, which influences the core due to the strong coupling between both plasma regions. To better understand the causes for the observed isotope mass dependence in the pedestal, we analysed the interplay between heat and particle transport and the edge localised mode (ELM) stability. For this purpose, we developed a dynamic ELM cycle model with basic transport assumptions and a realistic neutral penetration. The temporal evolution and resulting ELM frequency introduce an additional experimental constraint that conventional quasi-stationary transport analysis cannot provide. Our model shows that a mass dependence in the ELM stability or in the transport alone cannot explain the observations. One requires a mass dependence in the ELM stability as well as one in the particle sources. The core confinement time increases with pedestal pressure for all isotope masses due to profile stiffness and electromagnetic turbulence stabilisation. Interestingly, T and D-T plasmas show an improved core confinement time compared to H and D plasmas even for matched pedestal pressures. For T, this improvement is largely due to the unique pedestal composition of higher densities and lower temperatures than H and D. With a reduced gyroBohm factor at lower temperatures, more turbulent drive in the form of steeper gradients is required to transport the same amount of heat. This picture is supported by quasilinear flux-driven modelling using TGLF -SAT2 within Astra . With the experimental boundary condition TGLF -SAT2 predicts the core profiles well for gyroBohm heat fluxes <?CDATA ${\gt}15$?> > 15 , however, overestimates the heat and particle transport closer to the turbulent threshold.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Genetic Fusion of Thermoresponsive Polypeptides with UCST‐type Behavior Mediates 1D Assembly of Coiled‐Coil Bundlemers

Abstract Thermoresponsive resilin‐like polypeptides (RLPs) of various lengths were genetically fused to two different computationally designed coiled coil‐forming peptides with distinct thermal stability, to develop new strategies to assemble coiled coil peptides via temperature‐triggered phase separation of the RLP units. Their successful production in bacterial expression hosts was verified via gel electrophoresis, mass spectrometry, and amino acid analysis. Circular dichroism (CD) spectroscopy, ultraviolet‐visible (UV/Vis) turbidimetry, and dynamic light scattering (DLS) measurements confirmed the stability of the coiled coils and showed that the thermosensitive phase behavior of the RLPs was preserved in the genetically fused hybrid polypeptides. Cryogenic‐transmission electron microscopy and coarse‐grained modeling revealed that functionalizing the coiled coils with thermoresponsive RLPs leads to their thermally triggered noncovalent assembly into nanofibrillar assemblies.

Patkar, Sai S.↗

DOE OSTI2020

A Step Towards Machine Learning-based Coherent Generator Grouping for Emergency Control Applications in Modern Power Grid

A dynamic neural network (NN) based multi-class classifier is proposed for improving online prediction of coherent generator groups (CGGs), following the occurrences of various contingencies in the power grid. This is motivated by the increasing availability of the measurements from phasor measurement units (PMUs) and the number of grouping schemes is limited. The proposed method consists of three steps. First, by performing offline simulations, a library of system dynamic responses characterized by post-contingency rotor angles and speeds of individual generators is obtained. To generate sufficient data, up to N-2 contingencies and the uncertain parameters associated with the power grid including type and location of disturbance and fault clearing times are modeled. Secondly, the training data-set is produced by generating labels for individual contingencies using a hierarchical clustering method based on rotor angle and speed data. Lastly, the dynamic NN models are trained for online applications such as emergency controls and controlled islanding. The proposed method is tested on the standard 16-generator 68-bus system to demonstrate its performance. Furthermore, the impact of the sample data lengths on the CGG numbers is evaluated. It is interesting to observe that the time domain stability behaviors can be determined by examining the changes in the CGG numbers.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

Genetic Fusion of Thermoresponsive Polypeptides with UCST–type Behavior Mediates 1D Assembly of Coiled–Coil Bundlemers

Thermoresponsive resilin-like polypeptides (RLPs) of various lengths were genetically fused to two different computationally designed coiled coil-forming peptides with distinct thermal stability, to develop new strategies to assemble coiled coil peptides via temperature-triggered phase separation of the RLP units. Furthermore, their successful production in bacterial expression hosts was verified via gel electrophoresis, mass spectrometry, and amino acid analysis. Circular dichroism (CD) spectroscopy, ultraviolet-visible (UV/Vis) turbidimetry, and dynamic light scattering (DLS) measurements confirmed the stability of the coiled coils and showed that the thermosensitive phase behavior of the RLPs was preserved in the genetically fused hybrid polypeptides. Cryogenic-transmission electron microscopy and coarse-grained modeling revealed that functionalizing the coiled coils with thermoresponsive RLPs leads to their thermally triggered noncovalent assembly into nanofibrillar assemblies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Examination of the Radiolytic Stability of the GENIORS Solvent

The INL radiolysis test loop system has been employed to evaluate the effects of gamma radiolysis the stability and performance of the GENIORS solvent extraction process. This report describes details and results of the experiments performed and documents completion of milestone M3FT-21IN030101024 “Testing of Radiolytic Stability of m-TDDGA Based Solvent at INL”. The purpose of the proposed dynamic irradiation tests to be performed is to evaluate the radiolytic stability of the GENIORS process solvent for An/Ln recovery under process-like conditions. Recent research efforts within the European Union GENIORS project have focused upon demonstrating additional process improvements. These improvements include simplification of the solvent composition, use of reagents composed of only C, H, O, and N atoms (the CHON principle), identification of a diglycolamide derivative with more favorable Pu loading behavior, and use of an aqueous soluble stripping reagent that is not sulfonated. As a result, a new solvent utilizing dimethyl-N,N,N’,N’-tetradecyl-diglycolamide (cis-mTDDGA) as the An/Ln extractant and the aqueous soluble 2,6-bis[1-(propan-1-ol)-1,2,3-triazol-4yl]-pyridine (PTD) as the An/Ln stripping reagent was proposed. The impact of gamma radiolysis upon the efficacy of the GENIORS process solvent was evaluated by determining the americium, europium, and cerium distribution ratios as a function of absorbed dose. The measured distribution ratios demonstrated that the GENIORS solvent did undergo radiolytic degradation. However, at absorbed doses corresponding to realistic process conditions, the extraction and stripping performance of the solvent remains acceptable. Compositional analysis of the irradiated solvent revealed a decrease in the concentration of cis-mTDDGA, which is consistent with the observed changes in metal distribution ratios as a function of absorbed dose.

38 - RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCL↗

DOE OSTI2021

Aliovalent Doping of CeO 2 Improves the Stability of Atomically Dispersed Pt

Atomically dispersed supported catalysts hold considerable promise as catalytic materials. The ability to employ and stabilize them against aggregation in complex process environments remains a key challenge to the elusive goal of 100% atom utilization in catalysis. In this work, using a Gd-doped ceria support for atomically dispersed surface Pt atoms, we establish how the combined effects of aliovalent doping and oxygen vacancy generation provide dynamic mechanisms that serve to enhance the stability of supported single atom configurations. Using correlated, in situ X-ray absorption, photoelectron and vibrational spectroscopies for analysis of the samples on the two types of support (with and without Gd doping), we establish that the Pt atoms locate proximal to Gd dopants, forming a speciation that serves to enhance the thermal stability of Pt atoms against aggregation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Impedance Modeling and Stability Analysis for the PLL-less and Voltage Sensor-less Grid-tied Converters

The newly developed control methodology, which omits the phase-locked loop (PLL) and voltage sensor, has garnered considerable attention for its rapid dynamic response and reduced hardware expenses. Nonetheless, its stability concerns have not yet been thoroughly scrutinized. In this paper, the impedance modeling of the PLL-less and voltage sensorless control strategy has been established. The impedance model has been contrasted with the traditional PLL-based control scheme. Our findings demonstrate that the PLL-less and voltage sensorless control approach lacks the negative resistance behavior that is frequently observed in the traditional scheme, which results in unstable operations. Furthermore, the role of virtual resistance has been examined. To substantiate the aforementioned findings, simulation results are presented.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Dynamics of amphiphilic PEG–PDMS–PEG triblock copolymer assemblies

Here, the size and stability of micelles and vesicles determine the uptake capacity of guest molecules, thereby influencing potential applications in drug/gene delivery, bioreactors, and templates for nanoparticle synthesis. Polyethylene glycol (PEG) and polydimethylsiloxane (PDMS) are commonly used in these applications. We discovered that PEG-PDMS-PEG triblock copolymers can assemble into micelles and vesicles, making them valuable for dynamic studies to derive the bending elasticity, $κ_η$, which governs the stability these objects. We analyzed the structure using cryogenic transmission electron microscopy and small-angle neutron scattering. We investigated the dynamics through dynamic light scattering and neutron spin echo spectroscopy. By varying the number of repeating units in the hydrophilic block, we created micellar (PEG 28 -PDMS 15 -PEG 28 ) and vesicular systems (PEG 14 -PDMS 15 -PEG 14 ). For the vesicle, membrane rigidity was determined from experiments to be $κ_η$ =(16 ± 2) $k_BT$, where $k_BT$ is the thermal energy ($k_B$ Boltzmann’s constant and T is the temperature). According to Zilman and Granek's concept, membrane rigidity reflects height-height fluctuations within the membrane layer. Compared to polymers at the oil-water interface of a microemulsion, the membrane rigidity in polymersomes is over an order of magnitude higher, indicating significantly enhanced stability. This value closely aligns with that of liposomes, suggesting similar stability between polymersomes and liposomes.

Gupta, Sudipta [Louisiana State Univ., Baton Rouge↗

DOE OSTI2021

Control of monodomain polymer-stabilized cuboidal nanocrystals of chiral nematics by confinement.

Liquid crystals are important components of optical technologies. Cuboidal crystals consisting of chiral liquid crystals-the so-called blue phases (BPs), are of particular interest due to their crystalline structures and fast response times, but it is critical that control be gained over their phase behavior as well as the underlying dislocations and grain boundaries that arise in such systems. Blue phases exhibit cubic crystalline symmetries with lattice parameters in the 100 nm range and a network of disclination lines that can be polymerized to widen the range of temperatures over which they occur. Here, we introduce the concept of strain-controlled polymerization of BPs under confinement, which enables formation of strain-correlated stabilized morphologies that, under some circumstances, can adopt perfect single-crystal monodomain structures and undergo reversible crystal-to-crystal transformations, even if their disclination lines are polymerized. We have used super-resolution laser confocal microscopy to reveal the periodic structure and the lattice planes of the strain and polymerization stabilized BPs in 3D real space. Our experimental observations are supported and interpreted by relying on theory and computational simulations in terms of a free energy functional for a tensorial order parameter. Simulations are used to determine the orientation of the lattice planes unambiguously. The findings presented here offer opportunities for engineering optical devices based on single-crystal, polymer-stabilized BPs whose inherent liquid nature, fast dynamics, and long-range crystalline order can be fully exploited.

confinement↗

DOE OSTI2023

Tuning anisotropic bonding via chemistry and pressure in layered pnictides and chalcogenides (Final Report)

The overarching goal of this research program, as originally delineated in the proposal “Tuning anisotropic bonding via chemistry and pressure in layered pnictides and chalcogenides” was to develop a predictive, chemistry-driven understanding of the impact of the phonon behavior on thermal properties of bulk layered materials. At finite temperatures, atomic vibrations (phonons) strongly impact the thermodynamics, thermal and electrical transport, and phase-switching properties of functional materials. In particular, soft phonon modes and strongly anharmonic potentials can have spectacular consequences, including structural phase transitions (for example in ferroelectrics and phase-change memory materials), metal-insulator transitions, and extreme thermal resistance preventing heat propagation. Bulk materials with highly-anisotropic bonding may provide unique strategies to induce soft-phonon modes and lattice instabilities. Recently, increasingly detailed investigations of the lattice dynamics in layered materials have been made possible by the advent of first-principles phonon calculations and advanced characterization techniques based on neutron and X-ray scattering. However, due to the lack of studies in which composition and bonding character are systematically varied, there are still fundamental questions regarding the impacts of anisotropic bonding and anharmonicity on lattice stability and thermal transport. One of the major goals of this research program is therefore to address this gap by coherently tuning bonding anisotropy and anharmonicity across families of related compounds. Such approaches have revealed new strategies for exploiting structural anisotropy in quasi-1D and 2D bulk materials to obtain tailored functional properties. This project systematically explored the lattice dynamics, phase stability, and transport properties in bulk layered materials by using both composition and applied pressure to tune the degree of bonding anisotropy and anharmonicity. To accomplish this work, we combined i) single-crystal growth of key material systems with tunable anisotropy, ii) in-situ high-temperature/high-pressure characterization of structure and phonons to probe bonding anisotropy and anharmonicity, including state-of-the-art inelastic X-ray scattering (IXS) and inelastic neutron scattering (INS), and iii) first-principles simulations leveraging large-scale computing to identify the fundamental origins of the observed effects, by relating atomic structure and dynamics to electronic orbital interactions. Finally, we modeled and verified the impact of the phonon behavior on thermal transport to identify new strategies for a-priori design of thermal conductivity. Our integrated collaborative approach helped to systematically unravel the effects of anisotropy and bonding anharmonicity on phonon transport, thermodynamics, and thermal properties of complex anisotropic materials.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2022

Tuning anisotropic bonding via chemistry and pressure in layered pnictides and chalcogenides. Final Report

36 MATERIALS SCIENCE↗

DOE OSTI2021

State-of-the-art of data collection, analytics, and future needs of transmission utilities worldwide to account for the continuous growth of sensing data

Nowadays, transmission system operators require higher degree of observability in real-time to gain situational awareness and improve the decision-making process to guarantee a safe and reliable operation. Digitalization of energy systems allows utilities to monitor the system dynamic performance in real-time at fast time scales. The use of such technologies has unlocked new opportunities to introduce new data driven algorithms for improving the stability assessment and control of the system. Motivated by these challenges, a group of experts have worked together to highlight and establish a baseline set of these common concerns, which can be used as motivation to propose innovative analytics and data-driven solutions. In this document, the results of a survey on 10 transmission system operators around the world are presented and it aims to understand the current practices of the participating companies, in terms of data acquisition, handling, storage, modelling and analytics. The overall objective of this document is to capture the actual needs from the interviewed utilities, thereby laying the groundwork for setting valid assumptions for the development of advanced algorithms in this field.

24 POWER TRANSMISSION AND DISTRIBUTION↗