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At least 379 records · Page 21

Examples of X-Ray Characterization Techniques in Energy Storage Research

Lithium-ion batteries have revolutionized the portable electronics and transportation sectors. Their performance is often critically dependent on the crystal structures of the anode and cathode electrode materials, which must enable the transport and reversible storage of lithium ions into and out of the lattice. Because lithium is a low-Z element, characterization of materials for lithium-ion batteries can be particularly challenging. Regardless, X-ray techniques enable analysis of material structures to better understand how battery materials perform and degrade, particularly when combined with other materials characterization and electrochemical characterization techniques. While X-ray techniques are most often used in battery research for phase identification of crystal structures, X-ray characterization techniques are also used for a wide variety of other purposes. I will discuss several examples from my research with various collaborators on several projects that highlight the impact that X-ray characterization techniques can have on battery research. The first example will focus on low-temperature microwave-assisted solvothermal synthesis of vanadium-doped LiFePO4 cathode materials for lithium-ion batteries. (1,2) Through a combination of electrochemical and materials characterization, we determined that low temperature synthesis resulted in metastable phases that enabled incorporation of higher dopant levels than resulting from high-temperature synthesis of thermodynamically stable phases. Rietveld refinement of X-ray diffraction data enabled understanding of how lattice parameters changed with doping levels and synthesis temperature. X-ray absorption near edge spectroscopy enabled understanding of the vanadium and iron oxidation states to confirm how vacancies in the structure caused by doping were charge compensated. This was important to understand because the literature suggests doping can improve LiFePO4 electrical conductivity, which improves battery charge and discharge rates. The second example will focus on understanding residual strain in lithium metal anodes. Lithium-ion batteries typically use graphite anodes, but the charge-storage capacity can be theoretically improved ~10x by using lithium metal as the anode material instead. However, lithium anodes suffer from growth of high-aspect-ratio features, such as dendrites, that can pierce nanoporous polymer separators and lead to short circuits and fires. External pressure is commonly applied to cells to enable better morphological control. We hypothesized that applied pressure may promote strain and possibly work hardening during electrochemical cycling, which motivated us to look for evidence of residual strain in lithium metal cycled under applied pressure using X-ray diffraction and sin2(..psi..) analysis. We found that lithium electrodeposited under high pressure exhibited in-plane compressive strain and that that lithium electrodeposited under low pressure did not. (3) The residual strain that accompanies electrodeposition under high pressure may lead to work hardening, which may explain how a soft metal like lithium can puncture separators and why higher pressure does not always decrease short circuits. (4-6) References: 1) Harrison, K. L.; Manthiram, A. Microwave-Assisted Solvothermal Synthesis and Characterization of Metastable LiFe1- x (VO) x PO4 Cathodes. Inorganic chemistry 2011, 50(8), 3613-3620. 2) Harrison, K. L.; Bridges, C. A.; Paranthaman, M. P.; Segre, C. U.; Katsoudas, J.; Maroni, V. A.; Idrobo, J. C.; Goodenough, J. B.; Manthiram, A. Temperature Dependence of Aliovalent-Vanadium Doping in LiFePO4 Cathodes. Chemistry of Materials 2013, 25(5), 768-781. 3) Rodriguez, M. A.; Harrison, K. L.; Goriparti, S.; Griego, J. J.; Boyce, B. L.; Perdue, B. R. Use of a Be-Dome Holder for Texture and Strain Characterization of Li Metal Thin Films via Sin2 (..psi..) Methodology. Powder Diffraction 2020, 35(2), 89-97. 4) Jungjohann, K. L.; Gannon, R. N.; Goriparti, S.; Randolph, S. J.; Merrill, L. C.; Johnson, D. C.; Zavadil, K. R.; Harris, S. J.; Harrison, K. L. Cryogenic Laser Ablation Reveals Short-Circuit Mechanism in Lithium Metal Batteries. ACS Energy Letters 2021, 6(6), 2138-2144. 5) Harrison, K. L.; Merrill, L. C.; Long, D. M.; Randolph, S. J.; Goriparti, S.; Christian, J.; Warren, B.; Roberts, S. A.; Harris, S. J.; Perry, D. L. Cryogenic Electron Microscopy Reveals That Applied Pressure Promotes Short Circuits in Li Batteries. Iscience 2021, 24(12). 6) Harrison, K. L.; Goriparti, S.; Merrill, L. C.; Long, D. M.; Warren, B.; Roberts, S. A.; Perdue, B. R.; Casias, Z.; Cuillier, P.; Boyce, B. L. Effects of Applied Interfacial Pressure on Li-Metal Cycling Performance and Morphology in 4 M LiFSI in DME. ACS Applied Materials & Interfaces 2021, 13(27), 31668-31679.

batteries↗

Optimization of the light detection system of the ICARUS detector

The Short Baseline Neutrino (SBN) Program at Fermilab is designed to investigate short-baseline neutrino oscillations and test the hypothesis of sterile neutrinos, motivated by several experimental anomalies observed over the past decades. Within this program, the ICARUS experiment plays a key role. It employs the world’s largest Liquid Argon Time Projection Chamber (LArTPC) and serves as the farthest and most sensitive SBN detector for studying muon and electron neutrino oscillations. A crucial subsystem of the ICARUS detector is the Light Detection System (LDS), which captures the prompt scintillation light produced by neutrino interactions in the 600-ton active liquid Argon volume. This system provides precise timing information that is essential for event reconstruction, the trigger system, and cosmic background rejection. The LDS is composed of 360 Hamamatsu R5912-MOD 8-inch photomultiplier tubes (PMTs), operating under cryogenic conditions ($\sim 87 \ K$) inside the detector’s cryostats. During the detector’s operation at FNAL, a degradation in PMT gain has been observed, attributed to aging under low-temperature conditions. In collaboration with ICARUS teams from INFN Pavia and Catania, I developed an experimental setup to study the temperature-dependent behavior of the PMTs, performing gain measurements both at room temperature and down to $-70°C$ using a climatic chamber at INFN Catania. The results indicate that while the PMTs maintain stable gain at room temperature, a significant and permanent gain reduction occurs at low temperatures. Although $-70°C$ is still warmer than liquid Argon temperatures, the findings clearly demonstrate a gain-dependent performance degradation. The thesis also discusses mitigation strategies implemented in the ICARUS detector to address this issue and presents a simplified model to describe and simulate the observed behavior.

Saia, Clara [Catania U.] (ORCID:0009000464102417)↗

Beyond Price Taker: Optimizing Integrated Energy Systems Considering Market/Grid Interactions

Integrated Energy Systems (IES) combine two or more processes to increase the efficiency, flexibility of operation, and the overall reliability. However, analyzing IESs in volatile electricity markets is challenging, since the volatility in electricity prices makes the conventional levelized cost-type analysis less realistic. This work presents two approaches to address the challenge: price-taker and a surrogates-based approach for incorporating market interactions. The price-taker approach formulates a multiperiod optimization problem that takes the time-varying electricity prices into account, and solves the optimization problem to determine the optimal operational schedule that maximizes the chosen economic metric. This approach is successfully applied to investigate the performance of flexible power and hydrogen co-production systems. The market surrogates approach trains a machine learning model to predict the market behavior as a function of the characteristics of the IES. The trained surrogate model is used to optimize the design and operation of the given IES in an electricity market. This approach is demonstrated on a case study involving a nuclear power plant retrofitted with a low-temperature electrolysis unit to co-produce power and hydrogen.

beyond price taker↗

Verification of a Fluid-Based Plasma-Edge Model Within the Multiphysics Object-Oriented Simulation Environment (MOOSE) Framework

As the goal of achieving fusion power on the grid comes closer to fruition, fully coupled multiphysics models of fusion devices will be crucial. These models must incorporate the interconnected phenomena of these devices, including plasma physics, neutronics, first wall interactions, and tritium transport. Currently, there are two main approaches to developing these platforms: (1) loosely coupled, where one couples existing codes and solvers together through input and output parameters and data, and (2) tightly coupled, where one develops the necessary models within a singular, integrated framework. This work focuses on the latter approach for magnetically confined fusion devices by developing a fluid-based plasma-edge model within the Multiphysics Object Oriented Simulation Environment (MOOSE) Framework. This effort is coordinated with other efforts to develop, test, demonstrate, and deploy fusion relevant multiphysics capabilities including electromagnetics, particle-in-cell plasma, tritium transport, and fusion blanket design. This new model is an expansion of the MOOSE-based plasma application, Zapdos, which was originally formulated to model low-temperature, non-magnetized plasma processes. Verification studies have been conducted using newly developed magnetic plasma capabilities. These involved convergence analyses utilizing the method of manufactured solutions to verify new operators and case studies. A modular approach was taken here to demonstrate increasingly complicated simulation scenarios, which included a singular fluid with uniform magnetic field case, a singular fluid with spatially varying magnetic field case, and a coupled multifluid case.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Kinetic Plasma Simulation Capabilities in the MOOSE Framework: Verification of Particle-Particle Collisions

High-fidelity simulations of complex plasma systems allow researchers to gain key insights into and understanding of these systems. To facilitate massively parallel high-fidelity plasma simulations, finite-element-based particle-in-cell capabilities are being developed within the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) based framework called Software for Advanced Large-scale Analysis of MAgnetic confinement for Numerical Design, Engineering & Research (SALAMANDER). While SALAMANDER’s primary objective is modeling edge plasmas and plasma-facing components in fusion devices, the particle-in-cell capabilities being developed are general and will support modeling low-temperature plasmas as well. Previously, collisionless magnetostatic simulation capabilities have been verified with the two-stream and Dorey-Guest-Harris instabilities, and single particle motion. Collisions were implemented using the direct simulation Monte Carlo method, and verification of this capability will be presented here several verification problems: relaxation of a randomly initialized gas to a Maxwellian distribution, Fourier heat flow, and comparison of reaction rates to both analytic calculations and those calculated using a multi-term Boltzmann solver.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The Verification and Validation of a Magnetic Plasma Fluid Model Utilizing the MOOSE (Multiphysics Object Oriented Simulation Environment) Framework

As the goal of achieving fusion power on the grid comes closer to fruition, fully coupled multiphysics models of fusion devices will be crucial. Currently, there are two main approaches to developing these platforms: (1) loosely coupled, where one couples existing codes and solvers together through input and output parameters and data, and (2) tightly coupled, where one develops the necessary models within a singular, integrated framework. This work focuses on the latter approach for magnetically confined fusion devices by developing a fluid-based plasma-edge model within the Multiphysics Object Oriented Simulation Environment (MOOSE) Framework. This effort is coordinated with other efforts to develop, test, demonstrate, and deploy fusion relevant multiphysics capabilities including electromagnetics, particle-in-cell plasma, tritium transport, and fusion blanket design. This new model is an expansion of the MOOSE-based plasma application, Zapdos, which was originally formulated to model low-temperature, non-magnetized plasma processes. Verification, benchmarking, and validation studies have been conducted. Verification studies involved utilizing the method of manufactured solutions and comparing the convergence slope of a known solution to the theoretical slope. Benchmarking consists of comparisons to existing edge codes, namely BOUT++ and SOLEDGE3X. Validation efforts focused on comparisons against open-source data from the TCV tokamak.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Experimental Evaluation of a High-Performance Cold-Climate Heat Pump Using Tandem Vapor-Injection Compressors

A high-performance cold-climate heat pump (CCHP) was developed and experimentally validated through comprehensive laboratory and field testing. The system utilized two equal-size tandem vapor-injection (VI) compressors with an inter-stage flash tank to improve efficiency and capacity retention under subfreezing conditions. Laboratory testing was conducted on a 3-ton prototype in a controlled environmental chamber equipped with calibrated thermocouples, refrigerant-side mass flow and pressure transducers, and precision airflow measurement for energy balance verification. The prototype achieved heating coefficients of performance (COPs) of 4.4 at 47 °F, 3.1 at 17 °F, and 2.0 at –13 °F, while maintaining 88% of its rated heating capacity at –13°F. These results confirm strong low-temperature performance and indicate the potential for significant reductions in electric resistance backup use. A field prototype was installed and monitored in a residential building in Fairbanks, Alaska, during a heating season. Instrumentation included real-time power, temperature, and refrigerant state measurements to evaluate performance under dynamic outdoor conditions. The heat pump operated reliably down to –30 °F, delivering 75% of its rated heating capacity with a COP of 1.8, while maintaining stable operation, effective defrost control, and indoor comfort without auxiliary heating. The combined laboratory and field results demonstrate that the tandem VI compressor configuration provides a practical and energy-efficient approach for residential heat pumps designed for cold and very cold climate regions.

Hu, Yifeng [ORNL] (ORCID:0000000242875185)↗

Refined Sensitivity Estimates for Single-Molecule Magnet Dark Matter Detectors

We revisit the sensitivity of Single Molecule Magnet (SMM) crystals as detectors for low-mass dark matter. In previous work, we established the concept of the ``magnetic bubble chamber'', where energy deposited by dark matter triggers a magnetic avalanche in a metastable crystal. The original sensitivity estimates relied on a conservative criterion requiring the spin relaxation time to be strictly shorter than the thermal diffusion time. Here, we demonstrate that this criterion effectively ignores the stochastic nature of spin relaxation. We derive a refined analytic estimate which accounts for the fraction of spins that relax even when diffusion is fast. We show that the Zeeman energy released by this fraction contributes to local heating, significantly lowering the energy threshold for avalanche formation. We present simulation results confirming this effect and report on experimental verification of the assumed low-temperature thermal properties of two representative SMM crystals, Mn$_{12}$-acetate and Mn$_{32}$. Together, these efforts extend this pathfinder program toward the realization of SMM-based detectors with controlled material properties and enhanced dark matter sensitivity.

Eberhardt, Andrew [Tokyo U., IPMU]↗

Hybrid Cooling and Water Treatment for Resilient, Water-Self-Sufficient Data Centers

The continued growth of data center infrastructure is intensifying demand for freshwater resources, particularly in water-stressed regions, and is increasingly limiting sustainable capacity expansion. This work investigates a conceptual hybrid system that integrates freeze desalination with ultrasonic-assisted ice separation to enable on-site production of pure water from diverse sources, including seawater, brackish groundwater, and reclaimed industrial or agricultural wastewater. Simultaneously, the system produces low-temperature cooling streams that enhance heat removal in high power density computing environments. A process-level thermodynamic analysis is performed across a range of boundary and operating conditions, including variations in feed concentration, freezing temperature, and mass flow rate. The results are presented as performance curves relating feedwater concentration and target purified water output to the corresponding intake flow requirements, enabling estimation of source water demand per unit of Information Technology Equipment (ITE) energy consumption (kWh) across varying data center scales and operational scenarios. The corresponding electrical energy consumption for integrated cooling and water treatment is also evaluated as a function of system operating parameters and target water production levels. These results provide a basis for evaluating system feasibility across different conditions and for identifying parameter ranges in which integrated water treatment and cooling improve resource efficiency, thermal performance, and operational flexibility in data centers.

Elhefny, Aly [ORNL] (ORCID:0000000284907923)↗

Tar Formation and Mitigation in Pressurized Biomass and Cofired Gasification

Biomass gasification with CO2 capture has the potential to provide carbon-negative heat, power, and feedstock for sustainable hydrocarbon fuels. In a pressurized gasifier, precombustion solvent systems can capture CO2 with less energy than needed for amine-based postcombustion CO2 capture, and pressurized syngas is generally more suitable for fuel synthesis. Although precombustion capture has been used for many decades in large-scale fossil-based plants, it has not been well-demonstrated in smaller-scale biomass gasification. Precombustion solvents and product streams could be particularly impacted by tar and other organic compounds that tend to form in high concentrations during low-temperature biomass gasification. A pressurized pilot-scale gasifier was used to examine tar formation and fate when using CO2 capture with various blends of biomass and coal. The syngas was fully conditioned to remove particulate matter; capture sulfur; adjust syngas chemistry using water-gas shift; quench out moisture and condensable organics; and capture CO2. Tar concentrations were measured in the raw syngas, the product gas, and in the liquid streams over the course of several weeks. The gasifier was operated both as a high-pressure oxygen-blown system to mimic large-scale centralized gasification and at lower pressures under air-blown conditions to mimic a more likely small-scale system. A second high-temperature stage with oxidant injection was used to crack tars. The overall results showed how gasifier and CO2 capture performance change as fuel is blended between coal to biomass and what the fate of tar is through a precombustion CO2 capture system.

Strege, Josh [University of North Dakota EERC] (OR↗

In Situ Atomic Tracking on the Interfacial Etching and Reconfiguration of Cu-ReSe 2 Contact during Thermal Annealing

The Schottky barrier height can be greatly affected by the metal diffusion, reaction, and covalent bonding formation at the contact. Exploring novel methods and revealing the fundamental mechanisms for contact engineering are of vital importance for microelectronic devices. Here, in this study, the annealing induced interfacial reactions at Cu-ReSe 2 contact are dynamically revealed from the atomic scale. Accompanied by the diffusion of Se to Cu, ReSe 2 is gradually decomposed to a thin Re interlayer through a “chain-by-chain” manner. Theoretical calculations show that the Cu atoms can facilitate the chemical bond breaking of ReSe 2 , significantly lowering the Se diffusion energy barrier toward Cu. The formed Re/ReSe 2 heterostructure presents a metal-like band structure, which underscores the critical role of Cu in altering the interfacial chemistry and promoting carrier transport across the interface. Our results can provide vital insights into the contact properties of ReSe 2 and provide a possible method for fabricating high-performance ReSe 2 -based devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Are There Opportunities To Re-Think How We Manufacture Synthetic Graphite?

This manuscript contributes a Viewpoint article to ACS Sustainable Resource Management and discusses the graphite supply chain, growing mismatch between graphite demand and global manufacturing capacity, current graphite manufacturing technologies, and different feedstocks.

alternative carbon feedstocks↗

From quantitative trait loci towards mechanisms: Linkage Integration Hypothesis Testing (LIgHT) sheds light on the mechanisms of genetically modulated stress tolerance

The goal of this work is to assess the mechanistic bases of natural genetic variations in plant responses of photosynthesis to stress. To achieve this goal, we devised the Linkage Integration Hypothesis Testing (LIgHT) approach, comparing chromosomal locations of quantitative trait loci (QTLs) for multiple phenotypes to distinguish between hypothetical mechanisms. As a use case, we explored genetic variations in photosynthesis-related processes under chilling stress in recombinant inbred lines of cowpea ( Vigna unguiculata L. Walp.). We focused on photosynthesis-related parameters measurable in high throughput and indicative of proposed chilling responses, including the states of PSI and PSII, photoprotective non-photochemical quenching, PSII photodamage, and nyctinastic leaf movements (NLMs). The patterns of QTL linkages indicated that chilling stress tolerance is genetically controlled by avoiding PSII photodamage rather than PSI damage or NLMs. This model was validated in a separate experiment measuring the rates of PSII photodamage and repair. Additional linkages suggest that chilling-induced damage to PSII is controlled by the thylakoid proton motive force and redox state of PSII. This regulation appears to be modulated by thylakoid fatty acid composition, previously associated with the same genetic loci and now supported by broader mechanistic evidence. We propose that the LIgHT approach can be broadly applied to test mechanisms underlying genetic variations.

MultispeQ↗

Producing entangled photon pairs and quantum squeezed states in plasmas

Plasma is capable of mediating the conversion of two pump photons into two different photons through a relativistic four-wave mixing nonlinearity. Spontaneously created photon pairs are emitted at symmetric angles with respect to the colinear pump direction, and the emission rate is largest if they have identical frequency. Thus, two orthogonally polarized pumps can produce polarization-entangled photon pairs through a millimeter-long homogeneous plasma. Here, the noise from Raman scattering can be avoided if the pump detuning differs from twice the plasma frequency. However, pump detuning exactly equal to twice the plasma frequency can significantly enhance the interaction rate, which allows for the production of strong two-mode squeezed states. Remarkably, the amplified noise from Raman scattering are correlated and hence can be suppressed in one of the output quadratures, thereby maintaining the squeezing magnitude.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Vehicle Technologies Program: Energy Storage R&D (2008 Annual Progress Report)

One of the primary objectives of the Energy Storage effort is the development of durable and affordable advanced batteries (and ultracapacitors) for use in a full range of vehicle applications, from start/stop to full-power HEVs, EVs, and PHEVs. The battery technology development activity spans three areas: system development of full battery systems; benchmark testing of emerging technologies in order to remain abreast of the latest industry developments; and Small Business Innovative Research (SBIR) to fund early-stage R&D for small businesses/entrepreneurs.

25 ENERGY STORAGE↗

HydroGEN Consortium: Advancements in Hydrogen Production

HydroGEN Energy Materials Network (EMN) is an U.S. Department of Energy (DOE) EERE Hydrogen and Fuel Cell Technologies Office (HFTO)-funded consortium that aims to accelerate the discovery and development of advanced water splitting materials (AWSM) for clean, low-cost hydrogen production. Materials innovations are key to enhancing performance, durability, and cost of hydrogen generation technologies. HydroGEN is focused on low technology readiness level AWS technologies, including low- (alkaline exchanged membrane electrolysis) and high-temperature electrolysis (proton-conducting solid oxide electrolysis), photoelectrochecmical (PEC) and thermochemical (TCH) water splitting. The AWS technologies in this consortium study proton conduction in solid oxide electrolysis and hydroxide conduction in polymer electrolysis, and proton transport in photoelectrochemical water splitting. This presentation will provide an overview of the HydroGEN EMN and technical highlights of a few lab-led and DOE-awarded "seedling" R&D projects. HydroGEN continues to grow its community of industry, university, and national laboratories, forming a national innovation ecosystem focused on renewable hydrogen production.

08 HYDROGEN↗

HydroGEN Consortium

HydroGEN Energy Materials Network (EMN) is an U.S. Department of Energy (DOE) EERE Hydrogen and Fuel Cell Technologies Office (HFTO)-funded consortium that aims to accelerate the discovery and development of advanced water splitting materials (AWSM) for clean, low-cost hydrogen production. Materials innovations are key to enhancing performance, durability, and cost of hydrogen generation technologies. HydroGEN is focused on low technology readiness level AWS technologies, including low- (alkaline exchanged membrane electrolysis) and high-temperature electrolysis (proton-conducting solid oxide electrolysis), photoelectrochecmical (PEC) and thermochemical (TCH) water splitting. The AWS technologies in this consortium study proton conduction in solid oxide electrolysis and hydroxide conduction in polymer electrolysis, and proton transport in photoelectrochemical water splitting. This presentation will provide an overview of the HydroGEN EMN and technical highlights of a few lab-led and DOE-awarded "seedling" R&D projects. HydroGEN continues to grow its community of industry, university, and national laboratories, forming a national innovation ecosystem focused on renewable hydrogen production.

08 HYDROGEN↗