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At least 649 records · Page 36

Implicit highly-coupled single-ion Hall-MHD formulation for hybrid particle-in-cell codes

The rudiments of a particle-based single-fluid two-temperature magnetohydrodynamic (MHD) algorithm have been outlined in Thoma et al. (2013). The extension of this algorithm to include the effect of Hall physics is described in this paper. An implicit leapfrog version of the algorithm, which allows timesteps large compared to the resistive decay time and other relevant timescales, has recently been added to a hybrid particle-in-cell code. In standard MHD the Hall term in the generalized Ohm’s law can often be neglected when the Hall parameter is small. This term must, however, be retained in regimes where it is non-negligible. The retention of displacement current in Maxwell’s equations avoids the numerical difficulties associated with the whistler mode, which are encountered in standard explicit Hall-MHD codes, and allows the algorithm to be incorporated into hybrid particle-in-cell codes, for which particles may migrate from a kinetic to fluid to MHD description based upon local ambient plasma conditions. A highly-coupled implicit Hall-MHD formalism is presented, in which displacement current can either be retained or neglected. Even when displacement current is neglected, the highly-coupled implicit formalism avoids the restrictive timesteps for the whistler mode in explicit Hall-MHD codes. A comparison of numerical and analytic dispersion analysis demonstrates the feasibility of this approach and establishes relevant constraints to assure numerical stability. The implementation of the algorithm is described, and test simulation results in 1D and 2D in both linear and nonlinear regimes are presented.

97 MATHEMATICS AND COMPUTING↗

Spin coherence and 14N ESEEM effects of nitrogen-vacancy centers in diamond with X-band pulsed ESR

Pulsed ESR experiments are reported for ensembles of negatively-charged nitrogen-vacancy centers (NV - ) in diamonds at X-band magnetic fields (280–400 mT) and low temperatures (2–70 K). The NV - centers in synthetic type IIa diamonds (nitrogen impurity concentration < 1 ppm) are prepared with bulk concentrations of 2 • 10 13 cm -3 to 4• 10 14 cm -3 by high-energy electron irradiation and subsequent annealing. We find that a proper post-radiation anneal (1000°C for 60 min) is very important to repair the radiation damage and to recover long electron spin coherence times for NV - s. After the annealing, spin coherence times of T 2 = 0.74ms at 5 K are achieved, being only limited by 13 C nuclear spectral diffusion in natural abundance diamonds. By measuring the temperature dependence of T 2 in the under-annealed diamonds (900°C) we directly extract the density (10 14 -16 cm -3 ) and activation energy (2.5 meV) of unannealed defects responsible for the faster NV - decoherence. At X-band magnetic fields, strong electron spin echo envelope modulation (ESEEM) is observed originating from the central 14 N nucleus, and we extract accurate 14 N nuclear hypefine and quadrupole tensors. In addition, the ESEEM effects from two proximal 13 C sites (second-nearest neighbor and fourth-nearest neighbor) are resolved and the respective 13 C hyperfine coupling constants are extracted.

36 MATERIALS SCIENCE↗

Interpretation of Tracer Experiments on Inverted Five-spot Well-patterns within the Western Half of the Farnsworth Unit Oil Field

The Southwest Carbon Partnership (SWP), one of the U.S. Department of Energy (U.S. DOE) seven Regional Carbon Sequestration Partnerships, is currently working to demonstrate the utilization and storage of CO 2 in the Farnsworth Unit (FWU) Enhanced Oil Recovery (EOR) site under the final development phase of this U.S. DOE initiative. A component of the research is to use fluid tracers to understand the multifluid flow patterns that develop between injection and production wells via collected field data and supporting numerical reservoir models. The FWU, located in the Anadarko Basin, Ochiltree County, Texas, and being operated by Chaparral Energy, is a mature EOR water-flood field, which is currently being converted to a CO 2 flow, with inverted 5-spot patterns transitioning from pure water to alternating CO 2 and water floods (i.e., water alternating gas (WAG)) at an approximate rate of one every 6 to 10 months. The SWP tracer program is conducting a suite of tracer injections into the active 5-spot patterns at the FWU. Tracers have been selected to be nonreactive and either principally soluble in CO 2 (gas soluble) or water (aqueous soluble). In addition to characterizing the multifluid flow behaviour within reservoir, the gas and aqueous tracers have roles in detecting any leakage from the reservoir. A total of seven unique perfluorocarbon tracer (PFT) compounds make up the suite of gas soluble tracers and eight unique naphthalene sulfonate tracer (NPT) compounds comprise the aqueous soluble tracers. Lastly, all selected tracers are significantly detectable below the parts per billion concentrations, allowing for high resolution for the inter-well tests at relatively low injection volumes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Ion transport and association study of glyme-based electrolytes with lithium and sodium salts

Glyme solvents are a promising avenue of research in novel electrolytes, due to their thermal and chemical stability, large electrochemical window, and tunable properties. This work examines the transport properties of LiPF 6 and NaPF 6 salts in Monoglyme (G1), Diglyme (G2), and Tetraglyme (G4). Self-Diffusion coefficients, and degrees of ion association were found through spectroscopic techniques. Raman and Fourier-Transform Infrared (FTIR) spectroscopy exhibited an absorbance peak at 740 cm -1 , corresponding to the a 1g mode; known to signify the presence of solvent-separated and contact ion pairs. The increased intensity of this peak for G1 compared to G4 suggests that the electrolyte exhibits stronger association with decreasing solvent size. Nuclear Magnetic Resonance Diffusometry measurements yield self-diffusion coefficients for 7 Li, 23 Na, and 19 F across all samples to be on the order of 10 -9 m 2 s -1 in G1, to 10 -11 m 2 s -1 in G4. Comparison of conductivities calculated from the measured diffusivities and the Nernst-Einstein equation with conductivity measurements deduced from Electrochemical Impedance Spectroscopy (EIS) determined the ion association degree; the electrolytes were shown to exhibit stronger ion pairing with increased temperature which is attributed to a decrease in the dielectric constant of the solvents with increasing temperature. Plus, the ion association was shown to decrease with increasing solvent molecular size, consistent with FTIR findings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Scaling of energy delivered through an electrostatic discharge to a small series load

We study the energy delivered through a small-resistance series “victim” load during electrostatic discharge events in air. For gap lengths over 1 mm, the fraction of the stored energy delivered is mostly gap-length independent, with a slight decrease at larger gaps due to electrode geometry. The energy to the victim scales linearly with circuit capacitance and victim load resistance but is not strongly dependent on circuit inductance. This scaling leads to a simple approach to predicting the maximum energy that will be delivered to a series resistance for the case where the victim load resistance is lower than the spark resistance.

42 ENGINEERING↗

Daylight simulation workflows incorporating measured bidirectional scattering distribution functions

Daylight predictions of architectural spaces depend on good estimates of light transfer through skylights, windows and other fenestration systems. For clear glazing and painted surfaces, parametric transmission and reflection models have proven adequate, but there are many cases where light-scattering, semi-specular shading and daylighting materials defy simple characterization. Something as commonplace as fabric roller shades and venetian blinds may turn daylight prediction into guesswork, and numerous advanced systems on the market tuned specifically to enhance daylight are not sufficiently characterized to distinguish their performance. In this paper, we describe new tools available to handle novel and specialized fabrics, materials, and devices using data-driven modelling of bi-directional scattering distribution functions (BSDFs). These representations are usually tabulated at constant or adjustable angular resolution for efficient point-in-time and annual daylight simulations. We describe a variety of BSDF simulation workflows, including some of the tools and methods that make advanced analysis possible, and highlight some of the current challenges. We conclude with a discussion of future work and how such data might be created and shared worldwide.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Component-based SHGC determination of BIPV glazing for product comparison

Building-integrated photovoltaic (BIPV) systems are intrinsically designed to generate electricity and to provide at least one building-related function. When BIPV modules act as glazing products in windows, skylights or curtain walls, their ability to control the transmission of solar energy into the building must be characterised by a Solar Heat Gain Coefficient (SHGC) or g value (also known as Total Solar Energy Transmittance – TSET – or “solar factor”). For the comparison of BIPV glazing products consisting of one PV laminate and possibly further, conventional glazing layers separated by gas-filled cavities, the procedures documented in international standards for architectural glazing (e.g. ISO 9050 and EN 410) form a suitable starting point. Easily implemented modifications to these procedures are proposed to take both optical inhomogeneity (if relevant) and extraction of electricity from BIPV glazing units into account. Geometrically complex glazing and shading devices, and light-scattering glazing layers, are outside the scope of the proposed methodology; SHGC determination for obliquely incident solar radiation is also excluded. For these cases, the experimental calorimetric approach documented in [ISO 19467:2017; ISO 19467-2:2021] is recommended. The paper also presents results and conclusions from an implementation exercise and sensitivity study carried out by participants of the IEA-PVPS Task 15 on BIPV. The cell coverage ratio in the PV laminate, the thermal resistance offered by the glazing configuration, the choice of boundary conditions and the effect of extracting electricity were all identified as parameters which significantly affect the SHGC value determined for a given type of BIPV glazing. A practicable approach to accommodate the great variety of dimensions typical for BIPV glazing is also proposed. These findings should pave the way for modifying the existing component-based standards for architectural glazing to take the specific features of BIPV glazing into account.

14 SOLAR ENERGY↗

Tailored crosslinking of Poly(ethylene oxide) enables mechanical robustness and improved sodium-ion conductivity

We report that sodium-based energy storage systems are promising candidates for electric vehicles and grid-level energy storage applications. The advancement of sodium-based energy storage systems relies on the development of high performance sodium-ion conducting electrolytes and membranes that exhibit high ionic conductivity and mechanical stability. A crosslinked poly(ethylene oxide) based polymer electrolyte was developed that demonstrates high ionic conductivity, as well as excellent mechanical stability over a wide temperature range. Ionic conductivities up to 2.0 × 10 -4 S/cm at 20 °C and 7.1 × 10 -4 S/cm at 70 °C are achieved for the plasticized membrane, almost four orders of magnitude greater than that of the non-plasticized membrane. The membranes are mechanically robust, and the storage modulus of the membrane is maintained at ~1 MPa from -20 to 180 °C even with the addition of plasticizer. In conclusion, this study provides a synthesis approach towards the design of highly ion conducting, mechanically robust gel polymer electrolytes for Na-ion batteries, non-aqueous flow batteries, and many other applications.

25 ENERGY STORAGE↗

Chemical stability and long-term cell performance of low-cobalt, Ni-Rich cathodes prepared by aqueous processing for high-energy Li-Ion batteries

Cobalt content in Li-ion battery cathodes has become a top concern due to its price volatility and limited source availability. Low-cobalt, Ni-rich active materials are promising candidates for next-generation cathodes due to their high capacities, and water-based processing of these materials can further reduce both cost and environmental impact. We systematically evaluated the water compatibility of four different LiNi x Mn 1-x-y Co y O 2 (NMC) powders with increasing nickel contents. Comprehensive characterization verified there is no major change to their bulk structures, and only slight surface modifications related to the removal of contaminant species. For the first time, we demonstrate that LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC 811) cathodes can be formulated in water and cycled 1000 times in full pouch cells with excellent capacity retention (~70% compared to ~76% for NMP-processed cells). When implemented in future battery production lines, aqueous processing of Ni-rich NMC will simultaneously enable cost reductions and higher cell energy densities.

25 ENERGY STORAGE↗

Perspectives on the relationship between materials chemistry and roll-to-roll electrode manufacturing for high-energy lithium-ion batteries

As lithium-ion battery (LIB) active material and cell manufacturing costs continue to drop with wider adoption of electric vehicles, electrode and cell processing costs remain too high in terms of reaching the ultimate U.S. Department of Energy (DOE) cell cost target of $80/kWh. This paper primarily covers major materials chemistry advancements made over the last 10 years at Oak Ridge National Laboratory (ORNL) in the space of advanced manufacturing science for LIBs with the aim of simultaneously meeting the ultimate cost target, 500 Wh/kg gravimetric energy density, 10-15-min fast charge times, and 1000 deep discharge cycles. Aqeous electrode processing with a variety of active anode and cathode materials is now a standard procedure at the DOE Battery Manufacturing R&D Facility at ORNL (BMF), including the latest processes developed for Ni-rich cathodes. New results on cobalt-free LiNi 0.8 Fe 0.1 Al 0.1 O 2 (NFA 811) are also included and discussed in an electrode processing advantage context. In addition, colloidal processing advancements have been made for Si/C composite anodes for achieving >600 mA h/g capacities. Optimization of electrode coating parameters and drying protocols have been completed, which has elucidated how key processing variables need to be changed when parameters such as slurry solids loading, solvent type, and wet electrode thickness are changed. ORNL has also increased the line speeds at which thick cathodes can be processed using ultra-fast electron beam (EB) curing and substantially decreased formation cycling times to <1 day. Finally, key details of these advancements are discussed in the context of materials chemistry and process-property-performance relationships.

25 ENERGY STORAGE↗

Achieving low-temperature hydrothermal relithiation by redox mediation for direct recycling of spent lithium-ion battery cathodes

Lithium-ion battery (LIB) recycling is an urgent need to address the massive generation of spent LIBs from portable devices and electrical vehicles. However, the large-scale recycling is hampered by economic and safety issues associated with today's recycling processes. In this study, we demonstrate a safe and energy efficient direct regeneration process based on low-temperature hydrothermal relithiation (LTHR) at low pressure for spent LiNi x Co y Mn z O 2 (0 < x,y,z <1, x + y + z = 1, or NCM) cathode materials. A low concentration of low-cost redox mediator is employed to improve the relithiation kinetics of spent NCM materials, enabling full relithiation temperature to be reduced from 220 °C to 100 °C or below. Correspondingly, the pressure incurred in the relithiation process can be reduced from ~25 bar to 1 bar, offering significantly improved operation safety. Specifically, three NCM materials, including chemically delithiated NCM111, cycled (degraded) NCM111, and cycled NCM622, were successfully regenerated with complete recovery of composition, crystal structure, and electrochemical performance, achieving the same effectiveness as that achieved at high temperature process. Meanwhile, the total energy consumption of spent cell recycling and the greenhouse gas emission is also reduced. This work provides a facile and scalable way to more sustainable LIB recycling with high economic return, high operation safety and low cost.

25 ENERGY STORAGE↗