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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Nano-Engineered Catalyst Supported on Ceramic Hollow Fibers for the Utilization of CO 2 in Dry Reforming to Produce Syngas

The objective of this project was to develop a novel catalytic reactor containing nano-engineered catalysts for the utilization of CO 2 (captured from coal-fired power plants and other CO 2 emitting sources) in dry methane reforming (DMR) (CO 2 + CH 4 → 2 H 2 + 2 CO) to produce synthesis gas (syngas). The technology aims to reduce CO2 emissions by developing beneficial uses for CO 2 from coal-fired power plants. It also offers an alternative to mitigate CO 2 emissions in areas where geologic storage may not be an optimal solution and/or utilization could significantly offset the costs of carbon capture and sequestration. The nano-engineered Ni-based catalyst was prepared by atomic layer deposition (ALD). The Ni particles were as small as ~2-4 nm. The nano-engineered catalyst showed CH 4 conversion >95%, H 2 /CO ratio in the range of 0.7-1.0, and CH 4 reforming rate as high as 2,500 L/h/gNi at 850 ºC and pressure of 15-25 psia. The Ni-based ALD catalyst also showed good stability in DMR reaction during a 200-h continuous operation at 850 °C. This is due to strong bonding between the nanoparticles and substrates since the Ni nanoparticles were chemically bonded to the substrate during the ALD process. The high thermal stability maintains the high dispersion of Ni nanoparticles, which can inhibit coke formation because their step edges are small enough to limit carbon nucleation and growth. Technoeconomic analysis (TEA) indicates the levelized cost of syngas (LCOS) is $172/ton with our technology, which is lower than the equivalent (molar) cost of hydrogen produced by steam methane reforming (SMR) or autothermal reforming (ATR). The major operating cost is natural gas feed and fuel, and the levelized cost is highly sensitive to the price of natural gas and relatively insensitive to the CAPEX. Revenues from syngas could have a significant impact on the net cost of electricity (COE), depending on the cost of natural gas and the selling price of syngas, estimated at $36 per MWh if the syngas were sold at $195 per ton. Following DOE NETL’s guidance, a lifecycle analysis (LCA) was conducted to compare with SMR. The functional unit for the basis of comparison was defined as 1kg carbon monoxide in the product stream. The global warming potential (GWP) of our process was found to be 40% lower than the state-of-the-art SMR process. The sensitivity analysis confirms the emissions are most sensitive to the natural gas fuel requirements to deliver heat to the process.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Tuning Thermal Stability through Dopant Size in Chemically Doped DPP–Thiophene Polymers

Molecular doping of conjugated polymers (CPs) is a key strategy for improving the performance of organic electronics devices, particularly thermoelectrics. Doped donor–acceptor (D–A) conjugated polymers, characterized by a tunable energy gap between the Fermi level and the transport band, show great promise in achieving high electrical conductivity (σ) while preserving a favorable Seebeck coefficient (S). Despite the promising performance enhancement of chemically doped D–A polymers, their thermal stability remains largely underexplored, a crucial consideration for the long-term operation of organic thermoelectric devices. In this study, we investigated the dopant size-dependent thermal stability of a diketopyrrolopyrrole-thiophene (DPP-T) D–A copolymer, utilizing two p-dopants: 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F 4 TCNQ) and Mo(tfd-CO 2 Me) 3 . Temperature-dependent UV–vis–NIR spectroscopy revealed that DPP-T/F 4 TCNQ is more prone to dedoping under a high temperature thermal stress than DPP-T/Mo(tfd-CO 2 Me) 3 . Although the F 4 TCNQ doped polymer shows higher initial in-plane conductivity than its Mo(tfd-CO 2 Me) 3 counterpart, it undergoes a conductivity loss of more than an order of magnitude after annealing at 120 °C for 30 min. In contrast, the in-plane conductivity of DPP-T/Mo(tfd-CO 2 Me) 3 remains stable under the same thermal conditions. Thermogravimetric analysis ruled out dopant sublimation as a primary contributor to dedoping, leading us to attribute the conductivity loss in F 4 TCNQ-doped DPP-T to dopant phase separation and migration. This observation was further confirmed by X-ray scattering studies and nanoscale infrared microscopy and spectroscopy studies. This work could provide further insights into the thermal stability of doped conjugated polymers and suggests that incorporating bulkier dopants is an effective strategy to enhance the thermal robustness of doped DPP-type systems.

Conjugated polymers↗
DOE OSTI2025

Regioisomeric Engineering for Multicharge and Spin Stabilization in Two-Electron Organic Catholytes

Developing multicharge and spin stabilization strategies is fundamental to enhancing the lifetime of functional organic materials, particularly for long-term energy storage in multiredox organic redox flow batteries. Current approaches are limited to the incorporation of electronic substituents to increase or decrease the overall electron density or bulky substituents to sterically shield reactive sites. With the aim to further expand the molecular toolbox for charge and spin stabilization, we introduce regioisomerism as a scaffold-diversifying design element that considers the collective and cumulative electronic and steric contributions from all of the substituents based on their relative regioisomeric arrangements. Through a systematic study of regioisomers of near-planar aromatic cyclic triindoles and nonplanar nonaromatic cyclic tetraindoles, we demonstrate that this regioisomeric engineering strategy significantly enhances the H-cell cycling stability in the above two new classes of 2e – catholytes, even when current strategies failed to stabilize the multicharged species. Density functional theory calculations reveal that the strategy operates by redistributing the charge and spin densities while highlighting the role of aromaticity in charge stabilization. The most stable 2e – catholyte candidate was paired with a viologen derivative anolyte to achieve a proof-of-concept all-organic flow battery with 1.26–1.49 V, 98% capacity retention, and only 0.0117% fade/h and 0.00563% fade/cycle over 400 cycles (192 h), which is the highest capacity retention ever reported over 400 cycles in a multielectron all-organic flow battery setup. We anticipate regioisomeric engineering to be a promising strategy complementary to conventional electronic and steric approaches for multicharge and spin stabilization in other functional organic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

An in-vacuum x-ray diffraction microscope for use in the 0.7-2.9 keV range

A dedicated in-vacuum coherent x-ray diffraction microscope was installed at the 2-ID-B beamline of the Advanced Photon Source for use with 0.7-2.9 keV x-rays. The instrument can accommodate three common implementations of diffractive imaging; plane wave illumination; defocused-probe (Fresnel diffractive imaging) and scanning (ptychography) using either a pinhole, focused or defocused probe. The microscope design includes active feedback to limit motion of the optics with respect to the sample. Upper bounds on the relative optics-to-sample displacement have been measured to be 5.8 nm(v) and 4.4 nm(h) rms/h using capacitance micrometry and 27 nm/h using x-ray point projection imaging. The stability of the measurement platform and in-vacuum operation allows for long exposure times, high signal-to-noise and large dynamic range two-dimensional intensity measurements to be acquired. Finally, we illustrate the microscope's stability with a recent experimental result.

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

SiC Composite for Fuel Structure Applications

Extensive evaluation was performed to determine the suitability of using SiC composite as a boiling water reactor (BWR) fuel channel material. A thin walled SiC composite box, 10 cm in dimension by approximately 1.5 mm wall thickness was fabricated using chemical vapor deposition (CVD) for testing. Mechanical test results and performance evaluations indicate the material could meet BWR channel mechanical design requirement. However, large mass loss of up to 21% was measured in in-pile corrosion test under BWR-like conditions in under 3 months of irradiation. A fresh sister sample irradiated in a follow-up cycle under PWR conditions showed no measureable weight loss and thus supports the hypothesis that the oxidizing condition of the BWR-like coolant chemistry was responsible for the high corrosion rate. A thermodynamic evaluation showed SiC is not stable and the material may oxidize to form SiO 2 and CO 2 . Silica has demonstrated stability in high temperature steam environment and form a protective oxide layer under severe accident conditions. However, it does not form a protective layer in water under normal BWR operational conditions due to its high solubility. Corrosion product stabilization by modifying the SiC CVD surface is an approach evaluated in this study to mitigate the high corrosion rate. Titanium and zirconium have been selected as stabilizing elements since both TiSiO 4 and ZrSiO 4 are insoluble in water. Corrosion test results in oxygenated water autoclave indicate TiSiO4 does not form a protective layer. However, zirconium doped test samples appear to form a stable continuous layer of ZrSiO 4 during the corrosion process. Additional process development is needed to produce a good ZrSiC coating to verify functionality of the mitigation concept.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

PPPL Report on Reduced Modeling of Fusion Alpha Transport in ARC Burning Plasmas

We are reporting on the modeling of fusion alpha particle transport in the planned ARC fusion device being designed by the CFS (Commonwealth Fusion Systems: https://cfs.energy). The ARC tokamak is designed to operate in a burning-plasma regime characterized by a substantial population of fusion-born alpha particles. Alfvén eigenmode (AE) stability is assessed both analytically and numerically, incorporating alpha-particle drive, ion Landau, and radiative damping from thermal species and collisional damping from trapped electrons. Regions of unstable and near-threshold AE activity are mapped across ARC’s operational parameter space. Linear stability analysis with NOVA indicates multiple, often marginally unstable AEs, extending to toroidal mode numbers up to n= 30. The present report focuses on the ARC flat-top operating point prior to the sawtooth event. Alpha-particle transport on timescales exceeding the neoclassical slowing-down time is assessed using the NUBEAM module [1][2] of the TRANSP code [3], employing transport coefficients derived from the RBQ quasilinear modeling (cf. Appendix B). These global simulations identify favorable and unfavorable operating regimes with respect to alpha confinement, pressure redistribution, and overall alpha-heating efficiency. We also evaluate additional transport mechanisms—including neoclassical tearing mode (TM)–induced stochasticity, sawtooth-driven redistribution, and toroidal-field ripple using the kick model (cf. Appendix C) which makes use of the guiding-center code ORBIT, see Section 5. The kick model is integrated into TRANSP to enable self-consistent predictions of alpha-driven current formation and sustainment within the ARC scenario. Sensitivity scans are performed over the mode frequency, rational-surface alignment, island width, mode amplitude, and proximity of the limiter to the plasma. Our study provides an initial, physics-based guidance for machine design, operational planning, and equilibrium control, ensuring adequate alpha confinement and robust self-heating performance in ARC. Our simulations mostly targeted worst case scenarios, e.g. for TMs and sawteeth. Overall, we expect benign effects for the ARC scenario investigated in this work on fusion alpha confinement and losses in the presence of AEs, tearing modes and sawteeth. This report addresses three thrusts identified at the outset. The first thrust focuses on analytic estimates of the parametric dependencies of EP relaxation based on local AE stability simulations (Section 3). The second thrust involves global evaluations of AE stability using the NOVA, RBQ, and NUBEAM codes (Section 4). Finally, we investigate alpha-particle transport driven by low-frequency instabilities associated with sawteeth and tearing modes (Section 5).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Neural Lyapunov Control for Power System Transient Stability: A Deep Learning-Based Approach

We report that power system control and transient stability analysis play essential roles in secure system operation. Control of power systems typically involves highly nonlinear and complex dynamics. Most of the existing works address such problems with additional assumptions in system dynamics, leading to a requirement for a complete and general solution. This paper, therefore, proposes a novel control framework for various power system control and stability problems leveraging a learning-based approach. The proposed framework includes a two-module structure that iteratively and jointly learns the candidate Lyapunov function and control law via deep neural networks in a learning module. Meanwhile, it guides the learning procedure towards valid results satisfying Lyapunov conditions in a falsification module. The introduced termination criteria ensure provable system stability. This control framework is verified through several studies handling different types of power system control problems. The results show that the proposed framework is generalizable and can simplify the control design for complex power systems with the stability guarantee and enlarged region of attraction.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

EXERGETIC: De-Risking Next-Generation Resilient Geothermal Hybrids via At-Scale Evaluation Using Virtual Emulation Digital Twin Environment for Efficient Operation

The DOE-GTO-funded project, award number 5.1.2.12, entitled "EXERGETIC - De-risking Next Generation Resilient Geothermal Hybrids via at-Scale Evaluation Using a Virtual Emulation Digital Twin Environment for Efficient Operation," advances the solution to these challenges by developing and validating a geothermal co-emulation environment implemented at the National Laboratory of the Rockies (NLR)'s Advanced Research on Integrated Energy Systems (ARIES) platform. This framework enables the de-risking of next-generation geothermal and geothermal hybrid systems through high-fidelity modeling, real-time digital emulation, advanced control strategies, and techno-economic assessment. The project focused on geothermal hybrid configurations that integrate geothermal power plants with concentrated solar power and underground thermal energy storage, enabling enhanced efficiency, flexibility, and grid support capabilities. The main goal of this project was the development of a geothermal digital co-emulation environment to demonstrate the technical and economic value of geothermal hybrid systems and their contribution to grid stability and flexibility. The EXERGETIC framework combined physics-based models, controls, and real assets at ARIES, including digital real-time simulators (DRTS), a 20-MW-scale controllable grid interface (CGI), and a 2-MW conventional generator. Detailed transient models were developed for the key subsystems of a hybrid geothermal plant, including parabolic trough solar collectors, reservoir thermal energy storage (RTES), and a binary Organic Rankine Cycle (ORC) power plant. The ORC model explicitly captured thermal inertia and off-design operation and integrated control strategies to dynamically respond to electric load profiles. The models were validated against published experimental and numerical studies, demonstrating strong agreement and confirming the accuracy and robustness of the modeling approach. The resulting digital twin represents geothermal-solar-storage systems at multiple scales (1 MW to 100 MW) and enables realistic emulation of grid-connected operation. The control architecture allows the geothermal resource to provide stable baseload generation, while solar and stored thermal energy supply flexible, dispatchable support during periods of high demand or variable grid conditions. A key contribution of the EXERGETIC project is the demonstration that geothermal hybrid systems can be designed to be active grid assets rather than passive baseload generators. Using the ARIES platform, the digital twin was evaluated under multiple grid scenarios, including load following, voltage support at the distribution level, and frequency response at the transmission level. Results show that hybrid geothermal systems can respond effectively to dynamic grid conditions, providing inertia-like behavior, primary frequency support, and voltage regulation through coordinated control. In addition to the performance and grid services capability analysis of geothermal and hybrid geothermal systems, the EXERGETIC project also focused on scalability and techno-economic analysis of geothermal hybrid plants. In particular, for the scalability analysis, machine-learning (ML)-based surrogate models were trained using data generated from the geothermal digital twin under different grid-connected scenarios and plant capacities. These ML models demonstrated strong interpolation and extrapolation capabilities across plant sizes, accurately reproducing both steady-state and transient responses with very low errors. Regarding the techno-economic analysis, plant performance results were integrated with cost models for hybrid geothermal systems, and the levelized cost of electricity (LCOE) was used as the main economic metric to evaluate system performance across a range of system capacities, solar shares, solar multiples, and storage durations. Results indicate that economies of scale significantly reduce geothermal LCOE as plant capacity increases, with large-scale systems (25-100 MW) achieving substantially lower costs than small plants. Hybridization with solar thermal energy and storage further improves economic performance by increasing capacity utilization and enabling flexible dispatch. In addition, thermal storage plays a critical role in reducing LCOE by maximizing geothermal, solar, and stored energy resources. In summary, the results from this project demonstrate that geothermal hybrid systems represent a promising alternative for increasing the energy conversion efficiency of geothermal technologies, contributing to the preservation of geothermal resources, and supporting the transition of geothermal plants from traditional baseload resources into flexible, resilient, and cost-competitive energy conversion technologies.

15 GEOTHERMAL ENERGY↗
DOE OSTI2015

A switchable and stable single-longitudinal-mode, dual-wavelength erbium-doped fiber laser assisted by Rayleigh backscattering in tapered fiber

We have proposed and demonstrated a novel switchable single-longitudinal-mode (SLM), dual-wavelength erbium-doped fiber laser (DWEDFL) assisted by Rayleigh backscattering (RBS) in a tapered fiber in a ring laser configuration. The RBS feedback in a tapered fiber is a key mechanism as linewidth narrowing for laser output. A compound laser cavity ensured that the EDFL operated in the SLM state and a saturable absorber (SA) is employed to form a gain grating for both filtering and improving wavelength stability. The fiber laser can output dual wavelengths simultaneously or operate at single wavelength in a switchable manner. Experiment results show that with the proper SA, the peak power drift was improved from 1–2 dB to 0.31 dB and the optical signal to noise ratio was higher than 60 dB. Under the assistance of RBS feedback, the laser linewidths are compressed by around three times and the Lorentzian 3 dB linewidths of 445 Hz and 425 Hz are obtained at 1550 nm and 1554 nm, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Diagnostics for multiple frequency heating and investigation of underlying processes

The development of new facilities routinely challenges ion source designers to build and operate sources that can achieve ever higher beam intensities and energies. As shown in this work, electron cyclotron resonance ion sources have proven to be extremely capable in meeting these challenges through the production of intense beams of medium and high-charge state ions. As performance boundaries are pushed, source stability becomes an issue as does the technology required to meet the challenge. Multiple frequency heating, the simultaneous use of two or more plasma heating frequencies, is a powerful tool in meeting the simultaneous need of intensity and stability. Relatively straightforward to utilize, the technique has been employed at numerous facilities to increase beam current and achievable charge state while also stabilizing the plasma. Its application has expanded the operational boundaries of existing and next generation sources, demonstrating that these devices have not yet achieved their full operational potential. To better understand the underlying physics, the diagnostics used to probe the source operational boundaries and the plasma properties have become increasingly sophisticated. In concert with detailed modeling, they are beginning to provide insight into the heating mechanism and, with that, the prospect of future advances.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

A Lyapunov Function Based Remedial Action Screening Tool Using Real-Time Data

This report summarizes the outcome of a research project that comprised the development of a Lyapunov function based remedial action screening tool using real-time data (L-RAS). The L-RAS is an advanced computational tool that is intended to assist system operators in making real-time redispatch decisions to preserve power grid stability. The tool relies on screening contingencies using a homotopy method based on Lyapunov functions to avoid, to the extent possible, the use of time domain simulations. This enables transient stability evaluation at real-time speed without the use of massively parallel computational resources. The project combined the following components. 1. Development of a methodology for contingency screening using a homotopy method based on Lyapunov functions and real-time data. 2. Development of a methodology for recommending remedial actions based on the screening results. 3. Development of a visualization and operator interaction interface. 4. Testing of screening tool, validation of control actions, and demonstration of project outcomes on a representative real system simulated on a Real-Time Digital Simulator (RTDS) cluster. The project was led by Michigan State University (MSU), where the theoretical models including homotopy-based screening, trajectory correction using real-time data, and remedial action were developed and implemented in the form of research-grade software. Los Alamos National Laboratory (LANL) contributed to the development of energy margin sensitivity dynamics, which constituted a part of the remedial action portfolio. Florida State University (FSU) and Southern California Edison (SCE) developed a model of the SCE system that was implemented on FSU's RTDS cluster to simulate real-time data that was streamed over the internet to MSU where the L-RAS tool was executed and remedial actions were communicated back to FSU to execute stabilizing controls on the simulated system. LCG Consulting developed the visualization and operator interaction interface, based on specifications provided by MSU. The project was performed from October 2012 to December 2016, at the end of which the L-RAS tool, as described above, was completed and demonstrated. The project resulted in the following innovations and contributions: (a) the L-RAS software prototype, tested on a simulated system, vetted by utility personnel, and potentially ready for wider testing and commercialization; (b) an RTDS-based test bed that can be used for future research in the field; (c) a suite of breakthrough theoretical contributions to the field of power system stability and control; and (d) a new tool for visualization of power system stability margins. While detailed descriptions of the development and implementation of the various project components have been provided in the quarterly reports, this final report provides an overview of the complete project, and is demonstrated using public domain test systems commonly used in the literature. The SCE system, and demonstrations thereon, are not included in this report due to Critical Energy Infrastructure Information (CEII) restrictions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Application of a Comprehensive Lagrangian–Eulerian Spark-Ignition Model to Different Operating Conditions

Increasing engine efficiency is essential to reducing emissions, which is a priority for automakers. Unconventional modes such as boosted and highly dilute operation have the potential to increase engine efficiency but suffer from stability concerns and cyclic variability. To aid engineers in designing ignition systems that reduce cyclic variability in such engine operation modes, reliable and accurate spark-ignition models are necessary. Here, in this article, a Lagrangian–Eulerian spark-ignition (LESI) model is used to simulate electrical discharge, spark channel elongation, and ignition in inert or reacting crossflow within a combustion vessel, at different pressures, flow speeds, and dilution rates. First the model formulation is briefly revisited. Then, the experimental and simulations setups are presented. The results showcase the model’s ability to predict the secondary circuit voltage, current, and power signals, in addition to the spark channel elongation, for the inert cases, or flame front growth, for the reacting cases. The results also compare simulation spark channel and flame growth plots to experimental Schlieren images at different instants in time. This work serves to highlight LESI’s ability to predict the characteristics of discharge and ignition across a variety of operating conditions.

42 ENGINEERING↗
DOE OSTI2023

Universal Passive Synchronization Method for Grid-Forming Inverters Without Mode Transition

Power systems are transforming with increasing levels of inverter-based resources (IBRs). This transformation requires critical roles of grid-forming (GFM) inverters replacing synchronous generators for bulk power system stabilization and ancillary services, also allowing flexible power system operation, such as microgrid that is operated by multiple GFM IBRs to achieve system resilience against contingencies. To realize the resilient power systems allowing flexible in-and-out operation of GFM IBRs potentially programmed with different primary controls, a synchronization method universally applicable, i.e., independent of control types, would be beneficial to ease the integration process, but it has not been actively studied. To fill the gap, this paper proposes a universal synchronization method that achieves a passive synchronization to enable a smooth transition in a grid with off-nominal system parameters, i.e., voltage and frequency. The logic proposed requires no modification on the primary control, thus applicable to any type of GFMs with a voltage reference input. To validate the concept, a simulation of an IEEE 13-bus benchmark system modified with 3 GFM inverters is presented. It simulates an inverter-driven black start scenario in which GFM inverters autonomously turn on and connect to the grid under heavy loading, using the synchronization logic. The case study demonstrates that GFM inverters can tune their voltage reference to smoothly synchronize without severe transients, and contribute to a seamless black start of the grid under unbalanced load conditions. Two GFM methods - Droop and dispatchable virtual oscillator control - are used for the demo to validate feasibility and interoperability of the passive synchronization.

black start↗
DOE OSTI2022

Paving Pathways Toward Long–Life Graphite/LiNi 0.5 Mn 1.5 O 4 Full Cells: Electrochemical and Interphasial Points of View

The high-voltage spinel cathode LiNi 0.5 Mn 1.5 O 4 (LNMO) with no cobalt and low nickel content is promising for lithium-ion batteries due to its high energy and power densities, good thermal stability, and low cost. However, its high operating voltage (≈4.7 V) results in a decomposition of the electrolyte, severe chemical crossover, and deterioration of electrode-electrolyte interphases (EEIs), hindering its practical viability. It is demonstrated here that by electrochemically pre-cycling the graphite in an electrolyte containing 30 wt.% fluoroethylene carbonate, a robust LiF-rich artificial solid electrolyte interphase can be constructed for surface protection; on the other hand, an electrochemical pre-lithiation of Fe-doped LNMO serves as a lithium source for graphite at a full-cell voltage of 2.6 V. As a result, the full cells with the as-modified electrodes deliver a high capacity of 129 mA h g –1 with an excellent capacity retention of 93% after 200 cycles, vastly outperforming the full cells with fresh electrodes (120 mA h g –1 initial capacity with 78% retention). Lastly, pathways toward long-life graphite||LNMO full cells are pictured based on the inspirations from the electrochemical modifications and in-depth analyses of the EEIs in this study.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Discretization limits of lattice‐Boltzmann methods for studying immiscible two‐phase flow in porous media

Summary Digital images of porous media often include features approaching the image resolution length scale. The behavior of numerical methods at low resolution is therefore important even for well‐resolved systems. We study the behavior of the Shan‐Chen (SC) and Rothman‐Keller (RK) multicomponent lattice‐Boltzmann models in situations where the fluid‐fluid interfacial radius of curvature and/or the feature size of the medium approaches the discrete unit size of the computational grid. Various simple, small‐scale test geometries are considered, and a drainage test is also performed in a Bentheimer sandstone sample. We find that both RK and SC models show very high ultimate limits: in ideal conditions the models can simulate static fluid configuration with acceptable accuracy in tubes as small as three lattice units across for RK model (six lattice units for SC model) and with an interfacial radius of curvature of two lattice units for RK and SC models. However, the stability of the models is affected when operating in these extreme discrete limits: in certain circumstances the models exhibit behaviors ranging from loss of accuracy to numerical instability. We discuss the circumstances where these behaviors occur and the ramifications for larger‐scale fluid displacement simulations in porous media, along with strategies to mitigate the most severe effects. Overall we find that the RK model, with modern enhancements, exhibits fewer instabilities and is more suitable for systems of low fluid‐fluid miscibility. The shortcomings of the SC model seem to arise predominantly from the high, strongly pressure‐dependent miscibility of the two fluid components.

Li, Zhe↗
DOE OSTI2014

Massively parallel solvers for elliptic partial differential equations in numerical weather and climate prediction

The demand for substantial increases in the spatial resolution of global weather and climate prediction models makes it essential to use numerically efficient and highly scalable algorithms to solve the equations of large-scale atmospheric fluid dynamics. For stability and efficiency reasons, several of the operational forecasting centres, in particular the Met Office and the European Centre for Medium-Range Weather Forecasts (ECMWF) in the UK, use semi-implicit semi-Lagrangian time-stepping in the dynamical core of the model. The additional burden with this method is that a three-dimensional elliptic partial differential equation (PDE) for the pressure correction has to be solved at every model time step and this often constitutes a significant proportion of the time spent in the dynamical core. In global models, this PDE must be solved in a thin spherical shell. To run within tight operational time-scales, the solver has to be parallelized and there seems to be a (perceived) misconception that elliptic solvers do not scale to large processor counts and hence implicit time-stepping cannot be used in very high-resolution global models. After reviewing several methods for solving the elliptic PDE for the pressure correction and their application in atmospheric models, we demonstrate the performance and very good scalability of Krylov subspace solvers and multigrid algorithms for a representative model equation with more than 1010 unknowns on 65 536 cores on the High-End Computing Terascale Resource (HECToR), the UK's national supercomputer. Here, we tested and optimized solvers from two existing numerical libraries (the Distributed and Unified Numerics Environment (DUNE) and Parallel High Performance Preconditioners (hypre)) and implemented both a conjugate gradient solver and a geometric multigrid algorithm based on a tensor-product approach, which exploits the strong vertical anisotropy of the discretized equation. We study both weak and strong scalability and compare the absolute solution times for all methods; in contrast to one-level methods, the multigrid solver is robust with respect to parameter variations.

58 GEOSCIENCES↗
DOE OSTI2013

A Study of Al-Mn Transition Edge Sensor Engineering for Stability

The stability of Al-Mn transition edge sensor (TES) bolometers is studied as we vary the engineered TES transition, heat capacity, and/or coupling between the heat capacity and TES. We present thermal structure measurements of each of the 39 designs tested. The data is accurately fit by a two-body bolometer model, which allows us to extract the basic TES parameters that affect device stability. We conclude that parameters affecting device stability can be engineered for optimal device operation, and present the model parameters extracted for the different TES designs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

A molten battery consisting of Li metal anode, AlCl3-LiCl cathode and solid electrolyte

High performance rechargeable batteries are crucially needed to address the demands of grid-scale stationary energy storage. High temperature battery systems, such as Na-S battery, Na-NiCl2 battery (ZEBRA battery) and liquid metal electrode (LME) battery, exhibit advantages like high power density and high cyclic stability, but also suffer from the high operating temperature. We recently invented new concept of molten lithium metal batteries, consisting of liquid lithium anodes, alloy (Sn, Bi, Pb) liquid cathodes and lithium ion conductor as solid electrolytes. Here we demonstrate a molten metal chloride battery that operates at a relatively low temperature of 210 °C. The battery has been designed to include molten (AlCl3-LiCl) cathode, solid electrolyte (garnet-type Li6.4La3Ta0.6Zr1.4O12 (LLZTO) ceramic tube) and molten lithium anode. The assembled AlCl3-LiCl||LLZTO||Li full cell has an average discharge voltage of 1.55 V and energy efficiency of 83% and has been successfully cycled for 100 cycles (800 h) without capacity fade. The theoretical specific energy of cell is 350 Wh/kg and the estimated cost is $11.6/kWh based on the weight of electrode materials. Considering the high performance, high safety, low operating temperature and low cost of raw materials, this novel type of molten-electrode battery system opens up new opportunities for stationary energy storage.

25 ENERGY STORAGE↗