Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “storage complex”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 919 records · Page 51

Mars - CO2 adsorption and capillary condensation on clays: Significance for volatile storage and atmospheric history

Results on the adsorbate-adsorbent system CO2-nontronite are reported at 230, 196, and 158 deg K, covering the range of subsurface regolith temperature on Mars. A three-part regolith-atmosphere-cap model reveals that cold nontronite, and expanding clays in general, are far better but far more complex CO2 adsorbers than cold pulverized basalt. In addition, the layered terrain, and possibly the adjacent debris mantle, contains about 2% or more by mass of atmosphere-exchangeable CO2 and the total regolith inventory of available adsorbed CO2 is estimated to be 400 g/ sq cm.

Fanale, F. P.↗

Numerical Modeling of Propellant Boil-Off in a Cryogenic Storage Tank

A numerical model to predict boil-off of stored propellant in large spherical cryogenic tanks has been developed. Accurate prediction of tank boil-off rates for different thermal insulation systems was the goal of this collaboration effort. The Generalized Fluid System Simulation Program, integrating flow analysis and conjugate heat transfer for solving complex fluid system problems, was used to create the model. Calculation of tank boil-off rate requires simultaneous simulation of heat transfer processes among liquid propellant, vapor ullage space, and tank structure. The reference tank for the boil-off model was the 850,000 gallon liquid hydrogen tank at Launch Complex 39B (LC- 39B) at Kennedy Space Center, which is under study for future infrastructure improvements to support the Constellation program. The methodology employed in the numerical model was validated using a sub-scale model and tank. Experimental test data from a 1/15th scale version of the LC-39B tank using both liquid hydrogen and liquid nitrogen were used to anchor the analytical predictions of the sub-scale model. Favorable correlations between sub-scale model and experimental test data have provided confidence in full-scale tank boil-off predictions. These methods are now being used in the preliminary design for other cases including future launch vehicles

Majumdar, A. K.↗

Control System of Multi-Port Autonomous Reconfigurable Solar Power Plant (MARS) & HIL Platforms for Design

Multi-port autonomous reconfigurable solar power plant (MARS) provides an attractive alternative to connect photovoltaic (PV) and energy storage systems (ESSs) to high-voltage direct current (HVdc) links and high-voltage alternating current (ac) grids. In this paper, a unique hierarchical control system of MARS is proposed and evaluated. To evaluate the control system and associated algorithms in early-stage research of complex architectures like MARS, it is important to develop unique suitable hardware-in-the-loop (HIL) platforms. In this paper, the HIL platforms for MARS to evaluate the performance of the hierarchical control system and the control algorithms implemented are presented. Further, they help with the design process of control systems. The real-time simulation models and algorithms that are utilized for MARS in the HIL platforms are also discussed in the paper. The HIL experiments of the control system of MARS showcase the capability to provide continuity of operation under faults and frequency support to the power grid during loss of generation. They also showcase the stability of the proposed hierarchical control system of MARS.

14 SOLAR ENERGY↗

Bounding Pressure and Flammability Evaluations for a Department of Energy Standard Canister Loaded with Aluminum-Clad Spent Fuel

This report presents bounding pressurization and flammability evaluations from the radiolytic gas generation expected during extended (>50 years) dry storage of aluminum-clad spent nuclear fuel (ASNF) elements in a sealed Department of Energy (DOE) Standard Canister. The primary questions involving extended ASNF dry storage center around the adequacy of dry storage conditioning processes (i.e., drying) and the behavior of residual hydrated aluminum oxides on the cladding—specifically, the radiolytic breakdown of chemically bound water in these corrosion products. The objectives of the presented work include providing a bounding assessment of the pressure with respect to the DOE Standard Canister’s structural integrity limits and identifying the potential for forming flammable or explosive gas mixtures (i.e., exceedance of the lower flammability limit of the molecular hydrogen [H2] and oxygen [O2] concentrations). The evaluation results confirm the findings of previous, more complex M&S work. That is, the structural integrity of the canister remains unchallenged by a wide margin. Nevertheless, it is important to recognize that the presented pressure calculations consider a full breakdown of the chemisorbed water, including a consequent release of all available H2. In reality, the breakdown of water in these systems will likely remain incomplete, due to competing chemical and radiolytic reactions, thereby attaining an equilibrium in the storage environment.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Maturation of Rhodobacter capsulatus Multicopper Oxidase CutO Depends on the CopA Copper Efflux Pathway and Requires the cutF Product (Final Report)

The goal is to achieve a comprehensive understanding of the nature, mechanism of function and biogenesis of c-type cytochromes and their oligomeric complexes. These cytochrome are ubiquitous heme proteins that are required for cellular bioenergetics, including photosynthesis (Ps) and respiration (Res), which are central to chemical energy (ATP) production by oxidative- and photophosphorylation. We contribute to the molecular characterization of individual and membrane-integral cytochromes as parts of Ps and Res electron transport (ET) pathways, using the facultative phototrophic bacteria of as excellent models for multidisciplinary investigations. Supported by this grant we discovered novel membrane-bound cytochromes and cyts c complexes that are important for Ps- and Res-ET. We worked out their biogenesis including maturation (covalent heme addition) and assembly of mature subunits into complexes. These involve fundamental process found virtually in all organisms and are fundamental processes with major significance to the “Photosynthetic Systems” program of DOE-BES, because the cytochromes are integral components of natural energy production systems. Elucidation of basic principles, and the knowledge gained by their study greatly impact on our ability to design, engineer, and create new natural, bio-hybrid, bio-inspired and artificial systems to better capture light, transduce and store its energy with improved efficacy and are of broad significance.

14 SOLAR ENERGY↗

National Nuclear Materials Archive (NNMA) - Specimen Selection and Sampling at the Y-12 National Security Complex

Y-12 has made significant progress in FY21 towards National Nuclear Materials Archive (NNMA) program objectives related to the identification, nomination, sampling, sub-sampling and shipment of NNMA materials. Y-12 efforts in FY22 and beyond are anticipated to transition away from material identification and nomination to an emphasis on sampling/sub-sampling and long-term storage of NNMA specimens. Long-term storage efforts will also involve more emphasis on insuring that the nuclear forensics value of NNMA items is guaranteed through appropriate preservation processes.

36 MATERIALS SCIENCE↗

External insulation systems for cryogenic storage systems. Volume 1: Optical properties of Kapton and report of process variable study

Investigations are conducted into the optical properties of the glass and Kapton substrate materials, and three variables were chosen: deposition rate, sputter gas pressure, and film contamination time. Substrate tests have shown that fabrication of an dielectric broadband reflector would require an extremely complex and expensive filter design.

Frank, A. M.↗

Full Implementation of Matrix Approach to Biogeochemistry Module of CLM5

Abstract Earth system models (ESMs) have been rapidly developed in recent decades to advance our understanding of climate change‐carbon cycle feedback. However, those models are massive in coding, require expensive computational resources, and have difficulty in diagnosing their performance. It is highly desirable to develop ESMs with modularity and effective diagnostics. Toward these goals, we implemented a matrix approach to the Community Land Model version 5 (CLM5) to represent carbon and nitrogen cycles. Specifically, we reorganized 18 balance equations each for carbon and nitrogen cycles among the 18 vegetation pools in the original CLM5 into two matrix equations. Similarly, 140 balance equations each for carbon and nitrogen cycles among the 140 soil pools were reorganized into two additional matrix equations. The vegetation carbon and nitrogen matrix equations are connected to soil matrix equations via litterfall. The matrix equations fully reproduce simulations of carbon and nitrogen dynamics by the original model. The computational cost for forwarding simulation of the CLM5 matrix model was 26% more expensive than the original model, largely due to calculation of additional diagnostic variables, but the spin‐up computational cost was significantly saved. We showed a case study on modeled soil carbon storage under two forcing data sets to illustrate the diagnostic capability that the matrix approach uniquely offers to understand simulation results of global carbon and nitrogen dynamics. The successful implementation of the matrix approach to CLM5, one of the most complex land models, demonstrates that most, if not all, the biogeochemical models can be reorganized into the matrix form to gain high modularity, effective diagnostics, and accelerated spin‐up.

58 GEOSCIENCES↗

Environmental projects. Volume 14: Removal of contaminated soil and debris

Numerous diverse activities at the Goldstone Deep Space Communications Complex (GDSCC) are carried out in support of six parabolic dish antennas. Some of these activities can result in possible spills or leakages of hazardous materials and wastes stored both above ground in steel drums and below ground in underground storage tanks (UST's). These possible leaks or spills, along with the past practice of burial of solid debris and waste in trenches and pits, could cause local subsurface contamination of the soil. In 1987, the Jet Propulsion Laboratory (JPL), retained Engineering-Science, Inc. (E-S), Pasadena, California, to identify the specific local areas within the GDSCC with subsurface soil contamination. The E-S study determined that some of the soils at the Apollo Site and the Mars Site were contaminated with hydrocarbons, while soil at a nonhazardous waste dumpsite at the Mojave Base site was contaminated with copper. This volume is a JPL-expanded version of the PE209 E-S report, and it also reports that all subsurface contaminated soils at the GDSCC were excavated, removed, and disposed of in an environmentally acceptable way, and the excavations were backfilled and covered in accordance with accepted Federal, State, and local environmental rules and regulations.

Kushner, Len↗

Length Scale and Gravity Effects on Microgravity Boiling Heat Transfer

Boiling is a complex phenomenon where hydrodynamics, heat transfer, mass transfer, and interfacial phenomena are tightly interwoven. An understanding of boiling and critical heat flux in microgravity environments is of importance to space based hardware and processes such as heat exchange, cryogenic fuel storage and transportation, electronic cooling, and material processing due to the large amounts of heat that can be removed with relatively little increase in temperature. Although research in this area has been performed in the past four decades, the mechanisms by which heat is removed from surfaces in microgravity are still unclear. In earth gravity, buoyancy is an important parameter that affects boiling heat transfer through the rate at which bubbles are removed from the surface. A simple model describing the bubble departure size based on a quasistatic force balance between buoyancy and surface tension is given by the Fritz [I] relation: Bo(exp 1/2) = 0.0208 theta where Bo is the ratio between buoyancy and surface tension forces. For small, rapidly growing bubbles, inertia associated with the induced liquid motion can also cause bubble departure. In microgravity, the magnitude of effects related to natural convection and buoyancy are small and physical mechanisms normally masked by natural convection in earth gravity such as Marangoni convection can substantially influence the boiling and vapor bubble dynamics. CHF (critical heat transfer) is also substantially affected by microgravity. In 1 g environments, Bo has been used as a correlating parameter for CHF. Zuber's CHF model for an infinite horizontal surface assumes that vapor columns formed by the merger of bubbles become unstable due to a Helmholtz instability blocking the supply of liquid to the surface. The jets are spaced lambda(sub D) apart, where lambda(sub D) = 2pi square root of 3[(sigma)/(g(rho(sub l) - rho(sub v)](exp 1/2) = 2pi square root of 3 L Bo(exp -1/2) = square root of 3 lambda(sub c) and is the wavelength that amplifies most rapidly. The critical wavelength, lambda(sub c), is the wavelength below which a vapor layer underneath a liquid layer is stable. For heaters with Bo smaller than about 3 (heaters smaller than lambda(sub D)), the above model is not applicable, and surface tension effects dominate. Bubble coalescence is thought to be the mechanism for CHF under these conditions. Small Bo can result by decreasing the size of a heater in earth gravity, or by operating a large heater in a lower gravity environment. In the microgravity of space, even large heaters can have low Bo, and models based on Helmholtz instability should not be applicable. The macrolayer model of Haramura and Katto is dimensionally equivalent to Zuber's model and has the same dependence on gravity, so it should not be applicable as well. The goal of this work is to determine how boiling heat transfer mechanisms in a low-g environment are altered from those at higher gravity levels. Boiling data using a microheater array was obtained under gravity environments ranging from 1.8 g to 0.02 g with heater sizes ranging from 2.7 mm to 1 mm. The boiling behavior for 2.7 mm at 0.02 g looked quite similar to boiling on the 1 mm heater at 1 g-the formation of a large primary bubble surrounded by smaller satellite bubbles was observed under both conditions. The similarity suggests that for heaters smaller than some fraction of I(sub c), coalescence and surface tension dominate boiling heat transfer. It also suggests that microgravity boiling can be studied by studying boiling on very small heaters.

Kim, Jungho↗

Boiling Heat Transfer Mechanisms in Earth and Low Gravity: Boundary Condition and Heater Aspect Ratio Effects

Boiling is a complex phenomenon where hydrodynamics, heat transfer, mass transfer, and interfacial phenomena are tightly interwoven. An understanding of boiling and critical heat flux in microgravity environments is of importance to space based hardware and processes such as heat exchange, cryogenic fuel storage and transportation, electronic cooling, and material processing due to the large amounts of heat that can be removed with relatively little increase in temperature. Although research in this area has been performed in the past four decades, the mechanisms by which heat is removed from surfaces in microgravity are still unclear. Recently, time and space resolved heat transfer data were obtained in both earth and low gravity environments using an array of microheaters varying in size between 100 microns to 700 microns. These heaters were operated in both constant temperature as well as constant heat flux mode. Heat transfer under nucleating bubbles in earth gravity were directly measured using a microheater array with 100 m resolution operated in constant temperature mode with low and high subcooled bulk liquid along with images from below and from the side. The individual bubble departure diameter and energy transfer were larger with low subcooling but the departure frequency increased at high subcooling, resulting in higher overall heat transfer. The bubble growth for both subcoolings was primarily due to energy transfer from the superheated liquid layer relatively little was due to wall heat transfer during the bubble growth process. Oscillating bubbles and sliding bubbles were also observed in highly subcooled boiling. Transient conduction and/or microconvection was the dominant heat transfer mechanism in the above cases. A transient conduction model was developed and compared with the experimental data with good agreement. Data was also obtained with the heater array operated in a constant heat flux mode and measuring the temperature distribution across the array during boiling. The instantaneous heat transfer into the substrate was numerically determined and subtracted from the supplied heat to obtain the wall to liquid heat flux.

Kim, Jungho↗

Making Activated Carbon for Storing Gas

Solid disks of microporous activated carbon, produced by a method that enables optimization of pore structure, have been investigated as means of storing gas (especially hydrogen for use as a fuel) at relatively low pressure through adsorption on pore surfaces. For hydrogen and other gases of practical interest, a narrow distribution of pore sizes <2 nm is preferable. The present method is a variant of a previously patented method of cyclic chemisorption and desorption in which a piece of carbon is alternately (1) heated to the lower of two elevated temperatures in air or other oxidizing gas, causing the formation of stable carbon/oxygen surface complexes; then (2) heated to the higher of the two elevated temperatures in flowing helium or other inert gas, causing the desorption of the surface complexes in the form of carbon monoxide. In the present method, pore structure is optimized partly by heating to a temperature of 1,100 C during carbonization. Another aspect of the method exploits the finding that for each gas-storage pressure, gas-storage capacity can be maximized by burning off a specific proportion (typically between 10 and 20 weight percent) of the carbon during the cyclic chemisorption/desorption process.

Wojtowicz, Marek A.↗

Resurrected DSCOVR Propulsion System - Challenges and Lessons Learned

The Deep Space Climate Observatory (DSCOVR), formerly known as Triana, is a unique mission, not because of its objectives but because of how long it was in storage before launch. The Triana spacecraft was built in the late 90s and later renamed as DSCOVR, but the project was canceled before the spacecraft was launched. The nearly-complete spacecraft was put in controlled storage for 10 years, until the National Oceanic and Atmospheric Administration (NOAA) provided funding for the National Aeronautics and Space Administration (NASA) to refurbish the spacecraft. On February 11, 2015, DSCOVR was launched on a Falcon 9 v1.1 from launch complex 40 at Cape Canaveral Air Force Station. This paper describes the DSCOVR propulsion system, which utilizes ten 4.5 N thrusters in blowdown mode to perform Midcourse Correction (MCC) maneuvers, Lissajous Orbit Insertion (LOI) at Lagrangian point L1, momentum unloading maneuvers, and station keeping delta-v maneuvers at L1. This paper also describes the testing that was performed, including susbsystem-level and spacecraft-level tests, to verify the propulsion system's integrity for flight. Finally, this paper concludes with a discussion of the challenges and lessons learned during this unique mission, including replacement of a bent thruster and installation of an auxiliary heater over existing propellant line heaters.

System↗

Validation of Gas-Liquid Sharp Interface Model in Loci-Stream for Propellant Tank Self-pressurization under Normal Gravity

Deep space missions require advances in cryogenic fluid management (CFM) for long term storage of propellants. One of the important phenomena is self-pressurization due to heat leakages into the tank. Managing self-pressurization is one of the key technologies for deep space exploration and long-term space missions. The complex interactions involving natural convection, thermal gradients, turbulence, and phase change near the gas-liquid interface cannot be modeled using reduced order or nodal analysis models, and 3-D CFD analyses are necessary to fully characterize the dynamics. CFD analyses pose their own difficulties. The requisite CFD tool to tackle this problem need to be modular with the ability to incorporate various physics models, efficient, and computationally scalable for simulating flight size tanks. In this paper, we discuss modeling approach for self-pressurization in situations where the liquid interface is static and validate NASA MSFC’s Loci-Stream CFD solver for predicting self-pressurization in a test tank in normal gravity. This tank was designed to capture quantifiable and accurate data for understanding various two-phase fluid phenomena and to validate modeling tools. Specifically, we demonstrate the capability of the Loci-Stream solver with a two-phase sharp-interface treatment to predict self-pressurization of a tank with an unperturbed gas-liquid interface. This validation highlights the reliability of our modeling approach and our solver to serve as a design and analysis tool for NASA’s CFM application needs.

cryogenic fluid management↗

Validation of Gas-Liquid Sharp Interface Model in Loci-Stream for Propellant Tank Self-pressurization under Normal Gravity

Deep space missions require advances in cryogenic fluid management (CFM) for long term storage of propellants. One of the important phenomena is self-pressurization due to heat leakages into the tank. Managing self-pressurization is one of the key technologies for deep space exploration and long-term space missions. The complex interactions involving natural convection, thermal gradients, turbulence, and phase change near the gas-liquid interface cannot be modeled using reduced order or nodal analysis models, and 3-D CFD analyses are necessary to fully characterize the dynamics. CFD analyses pose their own difficulties. The requisite CFD tool to tackle this problem need to be modular with the ability to incorporate various physics models, efficient, and computationally scalable for simulating flight size tanks. In this paper, we discuss modeling approach for self-pressurization in situations where the liquid interface is static and validate NASA MSFC's Loci-Stream CFD solver for predicting self-pressurization in a test tank in normal gravity. This tank was designed to capture quantifiable and accurate data for understanding various two-phase fluid phenomena and to validate modeling tools. Specifically, we demonstrate the capability of the Loci-Stream solver with a two-phase sharp-interface treatment to predict self-pressurization of a tank with an unperturbed gas-liquid interface. This validation highlights the reliability of our modeling approach and our solver to serve as a design and analysis tool for NASA's CFM application needs.

cryogenic fluid management↗

DeFault: DEep‐Learning‐Based FAULT Delineation Using the IBDP Passive Seismic Data at the Decatur CO2 Storage Site

Abstract The carbon capture, utilization, and storage (CCUS) framework is an essential component in reducing greenhouse gas emissions, with its success hinging on the comprehensive knowledge of subsurface geology and geomechanics. Passive seismic event relocation and fault detection offer vital insights into subsurface structures and the ability to monitor fluid migration pathways. Accurate identification and localization of seismic events, however, face significant challenges, including the necessity for high‐quality seismic data and advanced computational methods. To address these challenges, we introduce a novel deep learning method, , specifically designed for passive seismic source relocation and fault delineating for passive seismic monitoring projects. By leveraging data domain‐adaptation, allows us to train a neural network with labeled synthetic data and apply it directly to field data. Using , the passive seismic sources are automatically clustered based on their recording time and spatial locations, and subsequently, faults and fractures are delineated accordingly. We demonstrate the efficacy of on a field case study involving injection related microseismic data from Decatur, Illinois area. Our approach accurately and efficiently relocated passive seismic events, identified faults and could aid in potential damage induced by seismicity. Our results highlight the potential of as a valuable tool for passive seismic monitoring, emphasizing its role in ensuring CCUS project safety. This research bolsters the understanding of subsurface characterization in CCUS, illustrating machine learning’s capacity to refine these methods. Ultimately, our work has significant implications for CCUS technology deployment, an essential strategy in combating climate change. Plain Language Summary In our quest to tackle climate change, we use a strategy known as carbon capture, utilization, and storage (CCUS) to keep greenhouse gases out of the atmosphere. This strategy relies heavily on our ability to understand what's happening deep under the earth's surface. To make sure we store super critical safely, we need to accurately map out the geological structure, especially faults, but this is tough without high‐quality data and complex computer programs. We've developed a new tool called “DeFault,” which uses advanced machine learning to improve how we find and map these underground features. “DeFault” is smart enough to learn from numerically simulated data and then apply what it’s learned to real‐world situations. It groups together seismic activity—tiny tremors and shifts in the earth—based on when and where they happen, which helps us spot where there might be cracks or faults. We tested “DeFault” in Illinois, where CO 2 is injected underground, and it successfully pinpointed where these tremors occurred and mapped out the faults, helping to prevent accidents accurately in the future. Our study shows that “DeFault” will be a powerful ally in making CCUS safer and more effective, especially for the Illinois Basin Decatur Project. Key Points Faults and fractures introduced by carbon storage can be monitored by passive seismicity DeFault algorithm enables an automatic process for accurate and efficient passive seismic event locating and clustering

58 GEOSCIENCES↗

Computations of Complex Three-Dimensional Turbulent Free Jets

Three-dimensional, incompressible turbulent jets with rectangular and elliptical cross-sections are simulated with a finite-difference numerical method. The full Navier- Stokes equations are solved at low Reynolds numbers, whereas at high Reynolds numbers filtered forms of the equations are solved along with a sub-grid scale model to approximate the effects of the unresolved scales. A 2-N storage, third-order Runge-Kutta scheme is used for temporary discretization and a fourth-order compact scheme is used for spatial discretization. Although such methods are widely used in the simulation of compressible flows, the lack of an evolution equation for pressure or density presents particular difficulty in incompressible flows. The pressure-velocity coupling must be established indirectly. It is achieved, in this study, through a Poisson equation which is solved by a compact scheme of the same order of accuracy. The numerical formulation is validated and the dispersion and dissipation errors are documented by the solution of a wide range of benchmark problems. Three-dimensional computations are performed for different inlet conditions which model the naturally developing and forced jets. The experimentally observed phenomenon of axis-switching is captured in the numerical simulation, and it is confirmed through flow visualization that this is based on self-induction of the vorticity field. Statistical quantities such as mean velocity, mean pressure, two-point velocity spatial correlations and Reynolds stresses are presented. Detailed budgets of the mean momentum and Reynolds stresses are presented. Detailed budgets of the mean momentum and Reynolds stress equations are presented to aid in the turbulence modeling of complex jets. Simulations of circular jets are used to quantify the effect of the non-uniform curvature of the non-circular jets.

Wilson, Robert V.↗

Electrochemistry in the Large Tunnels of Lithium Postspinel Compounds

Lithium spinels (Li MM 'O 4 ) are an important class of mixed-cation materials that have found uses in batteries, catalysis, and optics. Postspinels are a series of related framework structures with the AMM 'O 4 host composition that are formed with larger A -site cations, typically under high pressure. Postspinels have one-dimensional tunnel structures with pores that are larger than those in spinel and triangular in cross-section, but they are relatively unexplored as intercalation electrodes. While lithium postspinels have been previously found to be thermodynamically stable only at high pressures, we have identified a synthetic pathway that produces the lithium-containing materials at ambient pressure using an ion-exchange process from the corresponding sodium postspinels. Here, in this work, we report the synthesis and a survey of the electrochemical properties of 10 new lithium CaFe 2 O 4 -type postspinel compounds where M = Mn 3+ , V 3+ , Cr 3+ , Rh 3+ , Fe 2+ , Mg 2+ , Co 2+ and M ' = Ti 4+ and/or Sn 4+ . Although complete delithiation is not achieved during electrochemical cycling, many of the lithium postspinels have substantial charge storage capacity in Li battery cells owing to the ability of the large framework tunnels to accommodate more than one lithium ion per formula unit. Multiple redox couples are accessed for LiMnSnO 4 , Li 0.96 Mn 0.96 Sn 1.04-x Ti x O 4 , Li 0.96 V 0.96 Ti 1.04 O 4 , Li 0.96 Cr 0.96 Ti 1.04 O 4 , and LiFe 0.5 Ti 1.5 O 4 . Compositions with moderate or poor lithium cyclability are also discussed for comparison. Redox mechanisms and trends are identified by comparing this new redox-active framework to related spinels, ramsdellites, and 'Na 0.44 MnO 2 ' structures, and from density functional theory (DFT) electronic structures. Operando diffraction shows complex structural responses to lithium insertion and extraction in this postspinel framework. A DFT framework was proposed to identify promising lithium postspinel phases that could be accessed metastably under ambient pressure conditions and to assess their stability to lithium insertion and extraction. This work suggests that CaFe 2 O 4 -type hosts are a promising new class of lithium-ion energy storage materials.

25 ENERGY STORAGE↗