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DOE OSTI2023

Probing the Formation of Cathode-Electrolyte Interphase on Lithium Iron Phosphate Cathodes via Operando Mechanical Measurements

Interfacial instabilities in electrodes control the performance and lifetime of Li-ion batteries. While the formation of solid-electrolyte interface (SEI) on anodes has received much attention, there is still lack of understanding about the formation of cathode-electrolyte interface (CEI) on the cathodes. To fill this gap, we report on dynamic deformations on lithium iron phosphate, LiFePO 4 cathodes during charge / discharge by utilizing in-operando digital image correlation, impedance spectroscopy and Cryo X-ray photoelectron spectroscopy. LiFePO4 cathodes were cycled in either LiPF 6 , LiClO 4 or LiTFSI- containing organic liquid electrolytes. Beyond the first cycle, Li-ion intercalation results in a nearly linear correlation between electrochemical strains and the state of (dis)-charge, regardless of the electrolyte chemistry. However, during the first charge in LiPF 6 - containing electrolyte, there is a distinct irreversible positive strain evolution at the onset of anodic current rise as well as current decay at around 4.0V. Impedance studies show the increase in surface resistance in the same potential window, suggesting the formation of CEI layers on the cathode. The chemistry of the CEI layer was characterized by X-ray photoelectron spectroscopy. LiF is detected in CEI layer starting as early as 3.4 V and Li $x$ PO $y$ F $z$ appeared at voltages higher than 4.0 V during the first charge. In conclusion, our approach offers new insights into the formation mechanism of CEI layers on the cathode electrodes, which is crucial for the development of robust cathode and electrolyte chemistries for higher performance batteries.

25 ENERGY STORAGE↗

DOE OSTI2023

Vulnerability Studies Under EMP: Impedance and PCI Testing of the Grid Control Devices

Control devices such as inverters and generator controllers are critical for the stable operation of the power grid, especially for power stability control and power dispatch. However, the Electromagnetic Pulse (EMP) is a potential threat to electronic devices in modern power grids, therefore decreasing the power grid resilience and bringing unrecoverable damages to the devices. To reveal the impact mechanism of the EMP, impedance and Pulse Current Injection (PCI) testing is established to study the vulnerability of the grid control devices. The impedance of the grid control devices is accurately measured using impedance analyzers with different frequency ranges. Then the voltage and current responses are tested based on the PCI testing. The vulnerability experiments based on two grid control devices are carried out. And the comparison results reveal that most ports would be damaged under EC8, and some ports can survive under EC5 according to the calculated PCI response and cumulative energy. The results can provide a reference for the future design of control devices and the strategic resilience of power grids.

Qiu, Wei↗

DOE OSTI2025

Catalytic Resonance Theory: Experimental and Kinetic Interpretation of Programmable Catalysis

The complexity of programmable catalysts that change in the physical or electronic state on the time scale of a catalytic turnover results in uncertainty in the kinetic outcome of common measurements with dynamic catalyst experiments. To provide an interpretation of utility to experimentalists, a general programmable catalytic reaction exhibiting high turnover efficiency was simulated to understand the kinetic behavior of catalysts with varying frequency, binding energy, oscillation amplitude, and minimum oscillation binding energy at different temperatures and reactant gas pressures. The time-averaged catalytic rate for varying temperature in the form of an Arrhenius plot exhibited three distinct kinetic regimes, with the intermediate temperatures or applied frequencies exhibiting zero slope, indicative of barrier-free kinetic control. Transitions in experimentally measurable kinetic regimes with both temperature and applied catalyst oscillation frequency were associated with transitions in the sensitivity of reaction rate constants and degrees of rate control. Furthermore, these distinct kinetic macroscopic features specific to programmable catalysts were identified for observation in experimental dynamic kinetic measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Distributed Minimization of the Power Generation Cost in Prosumer-Based Distribution Networks: Preprint

Traditionally, electrical power was generated in big power plants. The cost of producing energy was related to the cost of fuel, e.g., carbon or gas, and by the cost of maintaining the power plants. With the advent of distributed energy resources, power can be produced directly at the edge of the electrical network by a new type of agents: the prosumers. Prosumers are entities that both consume and generate power, e.g., by means of photovoltaic panels. The cost of the power produced by prosumers is no longer related to fuel consumption since energy coming from distributed generators is essentially free. Rather, the cost is related to the remuneration that is due to the prosumers for the services they provide. The proposed control strategy minimizes the active power generation cost in the aforementioned scenario. The control scheme requires that the prosumers measure their voltage and then adjust the amount of injected power, according to a continuous time feedback control law that is indeed a projected gradient descent strategy. Simulations are provided in order to illustrate the algorithm behavior.

distributed control↗

DOE OSTI2022

The Impact of Increased Requirements for Verification Measurements of Category III and IV Receipts

As part of the regular nuclear material accounting and control process, sites that have accountable nuclear material regularly perform measurements of the material in their possession. The expectation for the type of measurements and their frequency is set out in Department of Energy (DOE) Order 474.2, and further detailed in each site’s respective material control and accountability (MC&A) plan and associated controlling documents. The measurements of interest in this report are those performed on external (between DOE sites) transfer receipts of Category III or IV accountable materials. In 2020, a revision of DOE Order 474.2 was proposed that would significantly increase the requirement that measurements be performed upon receipt of material, and further, that those measurements be quantitative verification (rather than qualitative confirmatory) measurements. A survey was performed of DOE sites to discuss the impact on their MC&A measurements program if more rigorous verification measurements requirements for Category III and IV receipts were implemented. An assessment of nondestructive assay (NDA) measurement instruments to meet those needs was also performed. Across the board, sites indicated that personnel and budget would cause the largest impact. Sites which are qualified as Category I/II indicated a reduced impact as these sites already have the measurement capabilities and some personnel but would require the acquisition of additional measurement systems. Category III/IV sites indicated a much larger impact as these sites generally have smaller MC&A programs. A few smaller sites stated a measurement program would need to be created to handle the demand. Calorimetry, quantitative gamma spectroscopy and neutron coincidence counting systems were identified as common systems that could meet the verification measurement requirements. The other, and perhaps larger issue is the need for calibration standards for the calorimetry and neutron coincidence counting systems. It is proposed that a comparative study be performed for ISOCS and ISOTOPICS, qualification of a COTS calorimetry system be performed, and development of an AWCC system that uses a neutron generator.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2022

Measurements of jet yield and acoplanarity using semi-inclusive $\gamma_{\text{dir}}$+jet and $\pi^{0}$+jet distributions in $p$+$p$ and central Au+Au collisions at $\sqrt{s_{NN}} = 200$ GeV by STAR

The STAR collaboration presents measurements of semi-inclusive distributions of charged jets recoiling from high transverse energy (E T ) direct photon and π 0 triggers in p+p and central Au+Au collisions at $\sqrt{s_{NN}} = 200$ GeV. Jets are reconstructed from charged particles using the anti-k T algorithm with jet resolution parameters R = 0.2 and 0.5. The large uncorrelated background in central Au+Au collisions is corrected using a mixed-event technique. This enables a jet measurement extending to low transverse momentum and large R with well-controlled systematic uncertainties. We present measurements of the jet R dependence of suppression, intra-jet broadening, and acoplanarity of π 0 +jet and γ dir +jet for trigger E T between 9–20 GeV.

Anderson, Derek↗

DOE OSTI2022

Measurement of Medium-induced Modification of Jet Yield and Acoplanarity Using Semi-inclusive $\gamma _{\mathrm {dir}}+$jet and $\pi ^{0}+$jet Distributions in $p+p$ and Central Au$+$Au Collisions at $\sqrt {s_{NN}} = 200$ GeV by STAR

The STAR Collaboration presents measurements of semi-inclusive distributions of charged jets recoiling from high transverse energy ($E_T$) direct photon and $π^0$ triggers in $p+p$ and central Au+Au collisions at $\sqrt{sNN}$=200 GeV. Jets are reconstructed from charged particles using the anti-$k_T$ algorithm with jet resolution parameters R=0.2 and 0.5. The large uncorrelated background in central Au+Au collisions is corrected using a mixed-event technique. This enables a jet measurement extending to low transverse momentum and large R with well-controlled systematic uncertainties. We present measurements of the jet R dependence of suppression, intra-jet broadening, and acoplanarity of $π^0$+jet and $γ_{dir}$+jet for trigger $E_T (E_{T}^{trig})$ between 9–20 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Combining genome-wide association studies and expression quantitative trait nucleotide mapping with molecular and genetic validations to identify transcriptional networks regulating drought tolerance in Populus

Objectives: (i). To deploy a large-scale experimental drought trial for up to 1000 unique genotypes of Populus equipping the sites with controlled irrigation and drought treatments that are fully automated and monitored. FULLY COMPLETED (ii) To test the hypothesis that a suite of traits identified for drought tolerance in P. nigra can be measured in drought and control treatments in the wide germplasm collection of P. trichocarpa. FULLY COMPLETED (iii) To use established and novel GWAS model approaches to identify gene loci linked to drought tolerance traits on interest in P. trichocarpa. FULLY COMPLETED (iv) To undertake comparative analysis of GWAS results for drought tolerance traits in P. nigra and P. trichocarpa. PARTIALLY COMPLETED – remains active (v) Using RNAseq in P. trichocarpa, in droughted and control treatments to identify cis- and trans-regulated eQTN. FULLY COMPLETED (vi) Validate up to 50 cis-QTNs, from network hubs using transient protoplast assays. FULLY COMPLETED (vii) To establish Agrobacterium-based gene editing protocols in Populus. FULLY COMPLETED (viii) To utilize early leads from previous research to investigate at least 6 candidate genes for drought tolerance in Populus. FULLY COMPLETED (ix) To validate up to 20 candidate genes for drought tolerance in P. trichocarpa refined from the long-list tested in the transient assays for cis-acting hub gene targets. PARTIALLY COMPLETED- remains active.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Rapid measurement of RH-dependent aerosol hygroscopic growth using a humidity-controlled fast integrated mobility spectrometer (HFIMS)

Abstract. The ability of aerosol particles to uptake water (hygroscopic growth) is an important determinant of aerosol optical properties and radiative effects. Aerosol hygroscopic growth is traditionally measured by humidified tandem differential mobility analyzers (HTDMA), in which size-selected dry particles are exposed to elevated relative humidity (RH), and the size distribution of humidified particles is subsequently measured using a scanning mobility particle sizer. As a scanning mobility particle sizer can measure only one particle size at a time, HTDMA measurements are time consuming, and ambient measurements are often limited to a single RH level. Pinterich et al. (2017b) showed that fast measurements of aerosol hygroscopic growth are possible using a humidity-controlled fast integrated mobility spectrometer (HFIMS). In HFIMS, the size distribution of humidified particles is rapidly captured by a water-based fast integrated mobility spectrometer (WFIMS), leading to a factor of ∼10 increase in measurement time resolution. In this study we present a prototype HFIMS that extends fast hygroscopic growth measurements to a wide range of atmospherically relevant RH values, allowing for more comprehensive characterizations of aerosol hygroscopic growth. A dual-channel humidifier consisting of two humidity conditioners in parallel is employed such that aerosol RH can be quickly stepped among different RH levels by sampling from alternating conditioners. The measurement sequence is also optimized to minimize the transition time between different particle sizes. The HFIMS is capable of measuring aerosol hygroscopic growth of six particle diameters under five RH levels ranging from 20 % to 85 % (30 separate measurements) every 25 min. The performance of this HFIMS is characterized and validated using laboratory-generated ammonium sulfate aerosol standards. Measurements of ambient aerosols are shown to demonstrate the capability of HFIMS to capture the rapid evolution of aerosol hygroscopic growth and its dependence on both size and RH.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Resiliency-Driven Proactive Distribution System Reconfiguration With Synchrophasor Data

Measuring and enabling resiliency of electric distribution systems with increasing weather and cyber events are important. Some of the extreme events (e.g. Earthquakes, Hurricanes) and associated paths are predicted and monitored closely in advance and allow to take pre-event proactive control actions. The Distribution Phasor Measurement Units (D-PMUs) provide new opportunities and supporting such proactive actions. Here, a synchrophasor based resiliency driven pre-event reconfiguration can ensure minimizing impact of the expected event on the power distribution system and associated performance. However, the D-PMUs will also face challenges in terms of data quality similar to the transmission PMUs. The focus of this paper is to provide data mining approaches for anomaly detection in D-PMUs and proposing resiliency-driven pre-event reconfiguration with islanding as a proactive mechanisms to minimize the impact of adverse events on system using processed synchrophasors data. Results are validated for real industrial feeders and test cases with satisfactory response

controlled islanding↗

DOE OSTI2021

Cyber Physical Grid-Interactive Distributed Energy Resources Control for VPP Dispatch and Regulation: Preprint

This paper presents a cyber-physical algorithm for grid interactive DER control to enable two features of Virtual Power Plants (VPPs) dispatch and grid voltage regulation, considering the communication and security impacts. We first formulate the DER dispatch problem as a real-time, iterative, and grid-interactive DER control problem. Thereafter, we consider a probabilistic traffic model to characterize packet delays and loss in a communication network, and study how the delays enter the process of information exchange among the grid measurement units, local DER controllers and the grid control center that coordinately execute this dispatch algorithm. Finally, we propose a cyber-physical grid-interactive DER control algorithm using the previous message strategy. The tracking and regulation capabilities of this proposed algorithm can be made immune to the asynchrony resulting from the communications network traffic. We carry out simulations to show possible numerical instabilities and sensitivities of the tracking and regulation capabilities on the proposed strategy. Our results exhibit that the uncertainties of the underlying communications infrastructure must be considered in the control algorithm for the VPP tracking and regulation capabilities of any DER in a generic Cyber-Physical System (CPS).

co-simulation↗

DOE OSTI2021

Comprehensive powertrain modeling for heavy-duty applications: A study of plug-in hybrid electric bus

A comprehensive forward-looking powertrain model with an efficiency-based control strategy was developed to achieve real-time optimization of plug-in hybrid electric buses while considering the real vehicle drivability and the practical operation of all powertrain components under real driving conditions. The control strategy is based on a supervisory control algorithm that alternately employs charge-dominant control and discharge-dominant control to manage multiple powertrain sources, and enable an optimal overall efficiency-based powertrain operation state by maximizing the inherent optimal powertrain efficiency through best all transmission gear choice and the blend of motor and/or engine power. In the model, a component energy efficiency database was developed to rapidly enable an smart and optimal operating state determined from a set of efficiency maps characterizing the component and powertrain control states as a function of the instantaneous vehicle operational condition. The results revealed that the energy savings achieved with the innovative powertrain control improved by 10%–30% compared with the baseline hybrid powertrain control strategy. The benefits of eco-driving with respect to energy consumption were also evaluated using the powertrain model. The powertrain control model was implemented into a real hybrid bus. Measured energy savings with the optimized control strategy were similar to the simulated results.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2026

Constrained variational optimization of counting-time allocation in sequential scattering measurements: Application to Bonse–Hart USANS

Sequential scattering measurements are often performed under a fixed experimental-time budget, even though the expected count rate varies strongly across the measured coordinate. When the dwell time at each measurement position can be controlled independently, this variation creates a general resource-allocation problem: how should the available time be distributed to minimize the uncertainty of the reconstructed profile? We formulate this problem as a constrained variational optimization for measurements governed by Poisson counting statistics. When each measurement is treated independently, minimizing the averaged squared relative uncertainty yields an inverse-square-root intensity allocation. The formulation is then generalized to include correlations between neighboring measurements and an instrumental resolution operator, leading to an allocation criterion that equalizes the marginal reduction in posterior uncertainty per unit measurement time. Bonse–Hart ultra-small-angle neutron scattering (USANS), in which reciprocal space is sampled sequentially through analyzer-angle stepping, provides an experimentally grounded application. Computational benchmarking shows that the optimized allocation outperforms uniform-time and constant-relative-error strategies, while application to an experimentally measured graphite USANS profile from the Spallation Neutron Source, using Poisson resampling under alternative schedules, demonstrates how counting time should be redistributed toward weak-intensity regions under an identical total duration. The resulting framework applies to sequential scattering and related scanning measurements whenever local dwell times are adjustable and directly determine the measurement uncertainties, and when the relevant correlation and instrumental-response models are available.

Tung, Chi-Huan [ORNL] (ORCID:0000000221972074)↗

DOE OSTI2026

Non-Contact Eddy Current Method for Assessing Proton Conductivity in Nafion Membranes

Accurate measurement of proton conductivity in Proton Exchange Membranes (PEMs) is vital for fuel cell performance and durability. This study explores eddy current testing as a non-destructive, non-contact and high-rate quality control (QC) method for measuring Nafion membrane proton conductivity, with potential for high-volume manufacturing applications.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

Virtual sensing of wind turbine hub loads and drivetrain fatigue damage, Virtuelle Sensoren für die Messung von Hauptwellenlasten und Ermüdungsschäden im Antriebstrang von Windenergieanlagen

Abstract: This paper presents a Digital Twin for virtual sensing of wind turbine aerodynamic hub loads, as well as monitoring the accumulated fatigue damage and remaining useful life in drivetrain bearings based on measurements of the Supervisory Control and Data Acquisition (SCADA) and the drivetrain condition monitoring system (CMS). The aerodynamic load estimation is realized with data-driven regression models, while the estimation of local bearing loads and damage is conducted with physics-based, analytical models. Field measurements of the DOE 1.5 research turbine are used for model training and validation. The results show low errors of 6.4% and 1.1% in the predicted damage at the main and the generator side high-speed bearing respectively. Zusammenfassung: In diesem Aufsatz wird ein digitaler Zwilling für Windenergieanlagen vorgestellt, welcher die virtuelle Erfassung der Hauptwellenlasten und die Zustandsüberwachung von Ermüdungschäden und der verbleibende Nutzungsdauer der Antriebsstranglager ermöglicht. Der digital Zwilling nutzt Messdaten des Supervisory Control and Data Acquisition (SCADA) Systems und des Zustandsüberwachungssystems des Antriebsstranges (CMS). Die Berechnung der Hauptwellenlasten ist mit datenbasierten Regressionsmodellen umgesetzt, während die Berechnung der Lagerkräfte und der Ermüdungsschaden mit physikbasierten Modelle durchgeführt wird. Für die Modellentwicklung und -validierung werden Feldmessdaten der DOE 1.5MW Turbine eingesetzt. Die Abweichungen in den Ermüdungsschäden am Hauptwellenlager und am Generatorwellenlager betragen lediglich 6,4% beziehungsweise 1,1%.

17 WIND ENERGY↗

DOE OSTI2021

Removing Rotational Variations from Shoulder Thermocouples in Friction Stir Welding

Thick plate and lower temperature friction stir welding results in good post-weld properties by welding at very low tool rotational speeds. Low speeds cause large variations in the measured shoulder temperature, making temperature control difficult. This paper describes a computationally light method to correct for oscillating measured temperatures. Data is collected over the previous two revolutions and used to build a compensation table and calculate a derivative. In simulation, measured temperature variations are reduced by a factor of five to ten. Temperature data is preserved and not cornered, nor is any time delay induced by this method, unlike with filtering methods.

Friction Stir Welding, Temperature↗

DOE OSTI2023

Uncertainty Error Modeling for Non-Linear State Estimation With Unsynchronized SCADA and µPMU Measurements

Distribution systems of the future smart grid require enhancements to the reliability of distribution system state estimation (DSSE) in the face of low measurement redundancy, unsynchronized measurements, and dynamic load profiles. Micro phasor measurement units (µPMUs) facilitate co-synchronized measurements with high granularity, albeit at an often prohibitively expensive installation cost. Supervisory control and data acquisition (SCADA) measurements can supplement µPMU data, although they are received at a slower sampling rate. Further complicating matters is the uncertainty associated with load dynamics and unsynchronized measurements–not only are the SCADA and µPMU measurements not synchronized with each other, but the SCADA measurements themselves are received at different time intervals with respect to one another. This paper proposes a non-linear state estimation framework which models dynamic load uncertainty error by updating the variances of the unsynchronized measurements, leading to a time-varying system of weights in the weighted least squares state estimator. Case studies are performed on the 33-Bus Distribution System in MATPOWER, using Ornstein–Uhlenbeck stochastic processes to simulate dynamic load conditions.

Cooper, Austin↗

DOE OSTI2020

Dual frequency comb spectroscopy of solid fuel pyrolysis and combustion: Quantifying the influence of moisture content in Douglas fir

As the fire research community develops multi-scale models to predict the spread of wildland fires, there is a need for well-controlled, small-scale experiments which provide benchmark data and fundamental understanding of the effects of key parameters on the combustion of wildland fuels. Here, we implement a unique suite of non-intrusive, quantitative diagnostics that simultaneously measure mass loss, surface temperature, in situ gas temperature and water vapor concentration, including the first implementation of dual frequency comb spectroscopy for the study of solid fuels. As a demonstration, we examine the effect of fuel moisture content on the burning of Douglas fir wood samples that are ignited under constant radiative heat flux from a cone calorimeter to provide benchmark data for multi-scale models. Peak flame temperatures 3 mm above the sample surface measured with the dual frequency comb laser spectrometer are in excess of 1200 K. The flame temperature decreases by over 150 K as fuel moisture content increases from 0.7% to 40%. This work demonstrates a platform for simultaneous, quantitative measurements of well-controlled small-scale experiments which provide benchmark data for the development of advanced modeling and simulations capable of capturing the complex physics present in wildland fire systems.

54 ENVIRONMENTAL SCIENCES↗