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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Evaluating consumer 3D printing nozzles as a low cost alternative for mesophase pitch-derived carbon fiber production

Synthetic fibers, such as Kevlar fibers, SiC fibers, and carbon fibers, are essential components for constructing high performance structures. Whether for engineering, sports, energy storage (batteries and supercapacitors), or aerospace applications, fiber microstructure plays a critical role in fiber properties and functionalities. However, studying fiber nozzle configurations and spinning parameters to achieve the desired microstructure remains challenging, costly, and time consuming. Here, mesophase pitch-derived fibers were used as an example to demonstrate that low cost, commercially available 3D printer nozzles can “print” fibers. Four different nozzles were used to “print” fibers and the effects of their features on fiber properties were observed and compared to other lab spun and commercial pitch- derived CF. A longer orifice length resulted in higher modulus fiber whereas a larger draw-down ratio yielded a stronger fiber. Furthermore, the findings provide a new opportunity for 3D printer hardware application and open up opportunities for developing low-cost fibers.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Interpenetrated Structures for Enhancing Ion Diffusion Kinetics in Electrochemical Energy Storage Devices

The architectural design of electrodes offers new opportunities for next-generation electrochemical energy storage devices (EESDs) by increasing surface area, thickness, and active materials mass loading while maintaining good ion diffusion through optimized electrode tortuosity. However, conventional thick electrodes increase ion diffusion length and cause larger ion concentration gradients, limiting reaction kinetics. We demonstrate a strategy for building interpenetrated structures that shortens ion diffusion length and reduces ion concentration inhomogeneity. This free-standing device structure also avoids short-circuiting without needing a separator. The feature size and number of interpenetrated units can be adjusted during printing to balance surface area and ion diffusion. Starting with a 3D-printed interpenetrated polymer substrate, we metallize it to make it conductive. This substrate has two individually addressable electrodes, allowing selective electrodeposition of energy storage materials. Using a Zn//MnO 2 battery as a model system, the interpenetrated device outperforms conventional separate electrode configurations, improving volumetric energy density by 221% and exhibiting a higher capacity retention rate of 49% compared to 35% at temperatures from 20 to 0 °C. Our study introduces a new EESD architecture applicable to Li-ion, Na-ion batteries, supercapacitors, etc.

25 ENERGY STORAGE↗
DOE OSTI2026

Multi-physics Preconditioning for Thermally Activated Batteries

Thermal batteries, also known as molten-salt batteries, are single-use reserve power systems activated by pyrotechnic heat generation, which transitions the solid electrolyte into a molten state. The simulation of these batteries relies on multiphysics modeling to evaluate performance and behavior under various conditions. This paper presents advancements in scalable preconditioning strategies for the Thermally Activated Battery Simulator (TABS) tool, enabling efficient solutions to the coupled electrochemical systems that dominate computational costs in thermal battery simulations. We propose a hierarchical block Gauss-Seidel preconditioner implemented through the Teko package in Trilinos, which effectively addresses the challenges posed by tightly coupled physics, including charge transport, porous flow, and species diffusion. The preconditioner leverages scalable subblock solvers, including smoothed aggregation algebraic multigrid (SA-AMG) methods and domain-decomposition techniques, to achieve robust convergence and parallel scalability. Strong and weak scaling studies demonstrate the solver’s ability to handle problem sizes up to 51.3 million degrees of freedom on 2048 processors, achieving near sub-second setup and solve times for the end-to-end electrochemical solve. These advancements significantly improve the computational efficiency and turnaround time of thermal battery simulations, paving the way for higher-resolution models and enabling the transition from 2D axisymmetric to full 3D simulations.

25 ENERGY STORAGE↗
DOE OSTI2020

A High-Energy NASICON-Type Cathode Material for Na-Ion Batteries

Over the last decade, Na-ion batteries have been extensively studied as low-cost alternatives to Li-ion batteries for large-scale grid storage applications; however, the development of high-energy positive electrodes remains a major challenge. Materials with a polyanionic framework, such as Na superionic conductor (NASICON)-structured cathodes with formula Na x M 2 (PO 4 ) 3 , have attracted considerable attention because of their stable 3D crystal structure and high operating potential. Herein, a novel NASICON-type compound, Na 4 MnCr(PO 4 ) 3 , is reported as a promising cathode material for Na-ion batteries that deliver a high specific capacity of 130 mAh g –1 during discharge utilizing high-voltage Mn 2+/3+ (3.5 V), Mn 3+/4+ (4.0 V), and Cr 3+/4+ (4.35 V) transition metal redox. In addition, Na 4 MnCr(PO 4 ) 3 exhibits a high rate capability (97 mAh g –1 at 5 C) and excellent all-temperature performance. In situ X-ray diffraction and synchrotron X-ray diffraction analyses reveal reversible structural evolution for both charge and discharge.

25 ENERGY STORAGE↗
DOE OSTI2022

Damage of prismatic lithium‐ion cells subject to bending: Test, model, and detection

Abstract The mechanically induced internal short circuit (ISC) is one of the major safety concerns of lithium‐ion batteries. Mechanical abuse tests are often performed to evaluate the integrity and safety of lithium‐ion batteries under mechanical loadings. Except for the widely explored compression‐dominated indentation tests, bending is another typical real‐world loading condition that is tension‐dominated. To investigate the mechanical damage and ISC behavior of batteries under bending, we carried out controlled three‐point bending tests in four progressive steps on prismatic battery cells with maximum deflections ranging from 38% to 76% of the cell thickness. None of the tested cells experienced an ISC. We then conducted 3D X‐ray computed tomography (CT) scanning on the bent cells after unloading. X‐ray CT images showed three out of the four tested cells have extensive cracking in the electrode layers at the bottom side (opposite to the loading head). This indicates that cracking does not necessarily lead to an ISC under bending. Electrochemical impedance spectroscopy was also measured on the bent cells and substantial changes were observed. Both the bulk resistance and charge‐transfer resistance increased significantly after bending, which could influence the battery performance and lifespan. We then developed a detailed finite (FE) element model to further investigate the mechanical deformation and failure mechanisms. The FE model successfully predicts the load–displacement response and reproduces the deformation patterns. The findings and the FE model developed in the present study provide useful insights and tools for the battery structure and crash safety design. image

25 ENERGY STORAGE↗
DOE OSTI2026

Architecting the Third Dimension of Electrochemical Energy Storage

Three-dimensional (3D) architectural design has emerged as a powerful strategy to push electrochemical energy storage (EES) devices beyond the intrinsic limitations of conventional two-dimensional (2D) electrodes. While planar architectures enable high packing density and mature manufacturing, they suffer from limited ion transport and low active-material loading. In contrast, 3D architectures introduce low-tortuosity networks and high surface area that enhance charge and mass transport while supporting thick, high mass-loading electrodes. However, their practicality remains hindered by challenges in volumetric density, mechanical stability, and large-scale manufacturability. Here, this Perspective examines the key evaluation and design principles that govern 3D device performance. We discuss the fundamental trade-offs between porosity, volumetric density, and mechanical stability that shape 3D design and highlight emerging strategies for integrating materials engineering, structural optimization, device integration, computational modeling, and scalable manufacturing. By aligning structural functionality with manufacturability, 3D architectures can evolve from laboratory prototypes to commercially viable energy storage systems.

25 ENERGY STORAGE↗
DOE OSTI2021

3D-Printable Inks for Energy and Environmental Applications

Partnering additive manufacturing (3D printing) with functional nanomaterial-based inks has the potential to push the properties and performance of advanced materials beyond previous capabilities. This is particularly true in energy and environmental applications. Graphene, 2D materials, and ceramic-based inks, when coupled with 3D printing technologies like Direct Ink Writing (DIW), also called “robocasting,” have shown promise to greatly enhance the performance of batteries, supercapacitors, reactors, and separator devices. Robocasting enables the printing of large-scale electrodes for energy applications with micron resolution by using high concentration viscous inks.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A new halospinel superionic conductor for high-voltage all solid state lithium batteries

We report a new Li-superionic chloride, Li 2 Sc 2/3 Cl 4 , that crystallizes in a disordered spinel structure, and exhibits an ionic conductivity of 1.5 mS cm –1 with a low activation energy barrier for Li + ion diffusion of 0.34 eV. Here, this material is the first spinel-type superionic halide. Structural elucidation via powder neutron diffraction reveals a significantly disordered Li + -ion distribution over available tetrahedral and octahedral sites within the lattice, forming an infinitely 3D connected Li + ion diffusion pathway comprised of face-sharing octahedra and tetrahedra. Due to the high oxidative stability of Li 2 Sc 2/3 Cl 4 , all solid state lithium batteries employing Li 2 Sc 2/3 Cl 4 and high voltage cathodes (LiCoO 2 , LiNi 0.6 Mn 0.2 Co 0.2 O 2 or high-Ni LiNi 0.85 Mn 0.1 Co 0.05 O 2 ) – without any coating – exhibit excellent electrochemical performance up to 4.6 V in terms of capacity retention and cycle life.

25 ENERGY STORAGE↗
DOE OSTI2021

Advanced strategies for the development of porous carbon as a Li host/current collector for lithium metal batteries

Lithium metal is considered a promising anode material for high-energy-density rechargeable batteries because of its high specific theoretical capacity (3860 mAh g -1 , low mass density (0.534 g cm -3 ), and low electrochemical redox potential (-3.04 V vs. the standard hydrogen electrode). However, the high reactivity of Li with the electrolyte leads to the formation of an unstable solid electrolyte interphase (SEI) and continuous side reactions. Also, the non-uniform lithium-ion flux and infinite volume expansion of Li metal cause the growth of Li dendrites. These pose significant safety challenges and cause rapid capacity fading of the lithium metal batteries (LiMBs). To resolve these issues, a low-cost, easily processed, lightweight, high-performance carbon-based porous matrix is considered promising to host Li metal deposition. The three-dimensional (3D) porous nano/microstructured carbon provides sufficient space for Li accommodation during Li plating, buffers the volume changes during Li plating/stripping, and lowers the effective current density contributing to dendrite-free Li deposition. Besides, the outstanding electrochemical and mechanical stability, flexibility and the high electronic conductivity enable the nano/microstructured carbon to serve as both Li host and current collector. The development of 3D carbon/Li composite by mechanical roll-press techniques not only eliminates the complex and risky procedure of making carbon/Li composite based on Li plating or molten Li infusion but also stabilizes the capacity at higher Li plating/stripping rates. Recently, there is an advancement in the lithiophilic decorations of 3D structure to introduce sufficient nucleation sites and the development of artificial SEI on top of the 3D matrix to suppress Li dendrite formation. Such 3D structural modifications create a uniform electric field, lower the Li nucleation overpotential, provide strong mechanical and chemical stability, and stabilize the interface thereby inhibiting the degradation of lithium and the electrolyte. Here we summarize the research progress on porous carbon/Li composites in terms of materials type, structure, fabrication technique, their electrochemical battery performance, and identify the critical challenges that need to be addressed for high-energy-density practical LiMBs.

25 ENERGY STORAGE↗
DOE OSTI2020

Lithium Manganese Spinel Cathodes for Lithium-Ion Batteries

Spinel LiMn 2 O 4 , whose electrochemical activity was first reported by Professor John B. Goodenough’s group at Oxford in 1983, is an important cathode material for lithium-ion batteries, which attracts continuous academic and industrial interests. It is cheap and environmentally friendly, and has excellent rate performance with 3-dimensional (3D) Li + diffusion channels. However, it suffers from severe degradations, especially under extreme voltages and during high-temperature operations. In this review, the current understanding and future trends of the spinel cathode and its derivatives with cubic lattice symmetry (LiNi 0.5 Mn 1.5 O 4 that shows high-voltage stability, and Li-rich spinels that show reversible hybrid anion- and cation-redox activities) shall be discussed. Special attention is given to the degradation mechanisms, further development of spinel cathodes, and concepts of utilizing the cubic spinel structure to stabilize high-capacity layered cathodes and as robust framework for high-rate electrodes. Lastly, “Good spinel” surface phases like LiNi 0.5 Mn 1.5 O 4 are distinguished from “bad spinel” surface phases like Mn 3 O 4 .

25 ENERGY STORAGE↗
DOE OSTI2021

3D Detection of Lithiation and Lithium Plating in Graphite Anodes during Fast Charging

A barrier to the widespread adoption of electric vehicles is enabling fast charging lithium-ion batteries. At normal charging rates, lithium ions intercalate into the graphite electrode. At high charging rates, lithiation is inhomogeneous, and metallic lithium can plate on the graphite particles, reducing capacity and causing safety concerns. We have built a cell for conducting high-resolution in situ X-ray microtomography experiments to quantify three-dimensional lithiation inhomogeneity and lithium plating. Our studies reveal an unexpected correlation between these two phenomena. During fast charging, a layer of mossy lithium metal plates at the graphite electrode–separator interface. The transport bottlenecks resulting from this layer lead to underlithiated graphite particles well-removed from the separator, near the current collector. These underlithiated particles lie directly underneath the mossy lithium, suggesting that lithium plating inhibits further lithiation of the underlying electrode.

25 ENERGY STORAGE↗
DOE OSTI2023

Reinforcement learning-based design of shape-changing metamaterials

During the last decade, artificially architected materials have been designed to obtain properties unreachable by naturally occurring materials, whose properties are determined by their atomic structure and chemical composition. In this work, we implement a new reinforcement learning (RL) method able to rationally design unique metamaterial structures at the nano-, micro-, and macroscale, which change shape during operational conditions. As an example, we apply this method to design nanostructured silicon anodes for Li-ion batteries (LIBs). The RL model is designed to apply different actions and predict change during operational conditions. The multi-component reward function comprises an increase in the total storage capacity of the resulting battery electrode and structural parameters, such as the minimum distance between the individual components of the nanostructure. Upon experimental validation using a polymer-based 3D printing technique, we expect that the newly discovered structures improve the current Si-based LIB anodes state-of-the-art by almost three times and almost ten times the current commercial LIB based on a graphitic anode. Furthermore, this RL-based optimization method opens up vast design space for other responsive metamaterials with tailored properties and pre-programmed structural transformation.

25 ENERGY STORAGE↗
DOE OSTI2022

Coupling of multiscale imaging analysis and computational modeling for understanding thick cathode degradation mechanisms

Here, using a thick NMC811 (LiNi 0.8 Mn 0.1 Co 0.1 O 2 ) electrode as an example, we present a macro- to nanoscale 2D and 3D imaging analysis approach coupled with 4D (space + time) computational modeling to probe its degradation mechanism in a lithium-ion battery cell. Particle cracking increases and contact loss between particles and carbon-binder domain are observed to correlate with the cell degradation. This study unravels that the reaction heterogeneity within the thick cathode caused by the unbalanced electron conduction is the main cause of the battery degradation over cycling. The increased heterogeneity in the system will entail more cathode regions where the degree of active material utilization is uneven, leading to higher probabilities of particle cracking. These findings shed light on the crucial role of the electronic and ionic transportation networks in the performance deterioration of the thick cathode. They also provide guidance for cathode architecture optimization and performance improvement.

25 ENERGY STORAGE↗
DOE OSTI2022

Facile Electrodeposition and Aging to Generate 3-Dimensional α-MnO 2 Battery Cathodes

Conventional tape casting forms 2-dimensional (2D) electrodes containing active material, conductive additive, and binder with restricted ion access as electrodes increase in thickness. To improve the transport properties, 3D architectures were developed using electrodeposition to ensure contact between the active material with the substrate, and provide enhanced electrolyte access. This paper investigates electrodeposition of cryptomelane ( α -MnO 2 ) as a model cathode material to efficiently accommodate (de)lithation and increase areal capacity vs conventional 2D coatings. Electodeposited samples on titantium (Ti) foil substrates were characterized using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM) and show a linear increase of the average oxidation of Mn (3.5–3.8) and active mass loading (1.27–9.9 mg) with deposition and aging times (0–120 min). The initial deposition is amorphous and forms the crystalline material during the elevated temperature aging step. The active material, α -MnO 2 , was also deposited on C-cloth and these cathodes at deposition times of 3, 6, and 9 min deliver 9, 36, and 69% higher areal capacities, respectively, at 0.2 mA cm −2 compared to conventional 2D electrodes with a mass loading equal to the 3 min sample. These results demonstrate the benefit of α -MnO 2 within a porous architecture providing enhanced transport properties.

Electrochemistry↗
DOE OSTI2021

Artificial generation of representative single Li-ion electrode particle architectures from microscopy data

Accurately capturing the architecture of single lithium-ion electrode particles is necessary for understanding their performance limitations and degradation mechanisms through multi-physics modeling. Information is drawn from multimodal microscopy techniques to artificially generate LiNi 0.5 Mn 0.3 Co 0.2 O 2 particles with full sub-particle grain detail. Statistical representations of particle architectures are derived from X-ray nano-computed tomography data supporting an ‘outer shell’ model, and sub-particle grain representations are derived from focused-ion beam electron backscatter diffraction data supporting a ‘grain’ model. A random field model used to characterize and generate the outer shells, and a random tessellation model used to characterize and generate grain architectures, are combined to form a multi-scale model for the generation of virtual electrode particles with full-grain detail. This work demonstrates the possibility of generating representative single electrode particle architectures for modeling and characterization that can guide synthesis approaches of particle architectures with enhanced performance.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Impact of soil model complexity on the long-term thermal performance prediction of a new shallow bore ground heat exchanger

Shallow bore ground heat exchangers have been investigated in recent years because they have the potential to reduce the initial cost of the ground source heat pump system. Correctly modeling the transient heat transfer between the ground heat exchanger and the surrounding soil is essential for predicting a ground heat exchanger's performance. Simplification of the soil model could increase computation speed but sacrifice accuracy. This study investigates the impact of the soil model complexity on the annual performance prediction of a new shallow bore ground heat exchanger, the underground thermal battery (UTB). A simple 1D soil model and a more detailed 2D soil model were implemented, and they were validated against a 3D soil model. Overall, the resulting predictions of the UTB’s response from the 1D and 2D models to a given thermal load in different climates were compared. The results show that the root mean square differences between the hourly temperatures of the UTB during a year predicted using the two soil models range from 1.17°C to 3.39°C. As a result, the difference in the annual power consumption of the heat pump was between 0.7% and 3.4%. Furthermore, the dimensions of the UTB affected its performance, and a longer UTB was less sensitive to the soil models.

42 ENGINEERING↗
DOE OSTI2021

“Flower-like” Li 4 Ti 5 O 12 -multiwalled carbon nanotube composite structures with performance as highrate anode-materials for li-ion battery applications and methods of synthesis thereof

A method of fabricating nanocomposite anode material embodying a lithium titanate (LTO)-multi-walled carbon nanotube (MWNT) composite intended for use in a lithium-ion battery includes providing multi-walled carbon nanotube (MWNTs), including nanotube surfaces, onto which functional oxygenated carboxylic acid moieties are arranged, generating 3D flower-like, lithium titanate (LTO) microspheres, including thin nanosheets and anchoring the acid-functionalized MWNTs onto surfaces of the 3D LTO microspheres by π-π interaction strategy to realize the nanocomposite anode material.

25 ENERGY STORAGE↗
DOE OSTI2024

“Flower-like” LI 4 TI 5 O 12 -multiwalled carbon nanotube composite structures with performance as highrate anode-materials for Li-ion battery applications and methods of synthesis thereof

A method of fabricating nanocomposite anode material embodying a lithium titanate (LTO)-multi-walled carbon nanotube (MWNT) composite intended for use in a lithium-ion battery includes providing multi-walled carbon nanotube (MWNTs), including nanotube surfaces, onto which functional oxygenated carboxylic acid moieties are arranged, generating 3D flower-like, lithium titanate (LTO) microspheres, including thin nanosheets and anchoring the acid-functionalized MWNTs onto surfaces of the 3D LTO microspheres by π-π interaction strategy to realize the nanocomposite anode material.

Wong, Stanislaus S.↗