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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Compressive Response and Energy Absorption of Additively Manufactured Elastomers with Varied Simple Cubic Architectures

Additive manufacturing, and particularly the vat photopolymerization process, enables the fabrication of complex geometries at high resolution and small length scales, making it well-suited for fabricating cellular structures (e.g., foams and lattices). Among these, elastomeric cellular structures are of growing interest due to their tunable compliance and energy dissipation. However, comprehensive data on the compressive behavior of these structures remains limited, especially for investigating the structure-property effects from changing the density and distribution of material within the cellular structure. This study explores how the mechanical response of polyurethane-based simple cubic structures changes when varying volume fraction, unit cell length, and unit cell patterning, which have not been systematically investigated previously in additively manufactured elastomers. Increasing volume fraction from 10% to 50% yielded significant changes in compressive stress–strain performance (decreasing strain at 0.5 MPa by 41.6% and increasing energy absorption density by 3962.5%). Although changing the unit cell length between 2.5 and 7 mm in ~30 mm parts did not result in statistically different stress–strain responses, modifying the configuration of struts of different thicknesses across designs with 30% volume fraction altered the stress–strain behavior (differences of 12.5% in strain at 0.5 MPa and 109.4% for energy absorption density). Power law relationships were developed to understand the interactions between volume fraction, unit cell length, and elastic modulus, and experimental data showed strong fits (R 2 > 0.91). These findings enhance the understanding of how multiple structural design aspects influence the performance of elastomeric cellular materials, providing a foundation for informing strategic design of tailorable materials for diverse mechanical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Influence of Molybdenum on Rapid Solidification Microstructure and Microsegregation in Primary Ferrite Solidified Stainless Steel

Due to the widespread use and familiarity of austenitic stainless steels in many industries these alloys are often the first materials used when adapting new processing techniques. The rapid cooling and solidification rates that occur during fusion based additive manufacturing processes like powder bed fusion cause a fundamental shift in the solidification behavior of the material. While the effects that Cr and Ni have on the microstructure have been fairly well documented across a range of solidification conditions, the impact of alloying elements like Mo are not as well understood at rapid solidification rates. For this study, four custom stainless steel alloy feedstocks were made with targeted modification of the Cr and Mo concentrations to maintain a constant Cr/Ni eq ratio of ~1.7. Two-piston splat quenching was used to produce rapidly solidified samples and the solidification mode, phase, and cell size were investigated. Solidification rates were estimated to be between 0.4 and 1.5m/s. A comparison of the microsegregation and partitioning behavior of Cr, Ni and Mo in ferrite solidified material was also performed for the different alloy compositions. Variations of the Mo concentration between each feedstock showed no measurable influence on the solidification/cooling rates, solidification morphology, or the partitioning of Mo. Furthermore, higher concentrations of Mo were found to significantly increase the amount of ferrite phase in the microstructure by suppressing the ferrite to austenite massive transformation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Unraveling the conundrum of electronic leakage in protonic ceramic cells: Operation-specific insights and rational design strategies

Electronic conduction through proton-conducting electrolytes significantly impairs the efficiency of protonic ceramic cells (PCCs). Here, in this study, we explore the electron and ion mixed transport properties of four common protonic ceramics, BaZr 0.8 Y 0.2 O 3-δ (BZY82), BaZr 0.7 Ce 0.2 Y 0.1 O 3-δ (BZCY721), BaZr 04 Ce 0.4 Y 0.1 Yb 0.1 O 3-δ (BZCYYb4411), and BaZr 0.1 Ce 0.7 Y 0.1 Yb 0.1 O 3-δ (BZCYYb1711). It marks the first instance of investigating these properties under operation-specific scenarios: fuel side of electrolysis cell, air side of electrolysis cell, fuel side of fuel cell, and air side of the fuel cell. BZCYYb1711 exhibits the highest ionic conductivity, but two to three times higher electronic leakage when exposed to oxygen-containing environments than the others. BZY82 exhibits approximately two times higher electronic leakage in a hydrogen-containing environment. BZCY721 demonstrates excellent ion transport numbers (~0.95) across these four operating conditions. BZCYYb4411 behaves quite similarly to BZCY721. The most challenging operating environment for all candidates is the air side of fuel cell mode. This mode leads to a high initial electronic leakage, followed by a significant increase with polarization. The probable cause for this behavior is a H 2 -free, polarization-induced reduction that leads to the formation of V$^•_O$. The electron small polaron associated with V$^•_O$ is released by the electrical field due to the Poole-Frenkel effect. ZnO and NiO sintering aids are found to be detrimental to the ionic conductivity of the electrolytes. In particular, NiO substantially lowers the ion transport number. The correlation of the operation-specific electronic leakage to full cells is discussed. It is suggested that a rational PCC design should synergistically couple BZCYYb1711 at fuel side with BZCY4411 at air side to deliver a well-balanced performance and faradaic efficiency simultaneously, and the high temperature sintering process with a NiO fuel electrode should be shortened or replaced by ultra-fast sintering techniques or using a fuel electrode scaffold-infiltration fabrication strategy.

42 ENGINEERING↗
DOE OSTI2022

Assessing the availability of two bamboo species for fermentable sugars by alkaline hydrogen peroxide pretreatment

We report this study comprehensively investigated two bamboo species (i.e. Neosinocalamus affinis and Phyllostachys edulis) in terms of their cell wall ultrastructure, chemical compositions, enzymatic saccharification, and lignin structure before and after alkaline hydrogen peroxide pretreatment (AHP). During AHP, Neosinocalamus affinis (NAB) had higher delignification than Phyllostachys edulis (PEB), and thus showed better enzymatic digestibility (93.05% vs 53.57% for glucan). The fundamental chemical behavior of the bamboo lignins was analyzed by fluorescence microscope (FM), confocal Raman microscope (CRM), molecular weight analysis, and 2D HSQC-NMR. Results indicated that the PEB has thicker cell wall and more concentrated lignin in its compound middle lamella and cell corner middle lamella than NAB. Moreover, PEB lignin contains more G units (S/G of 0.95), in evident contrast to that of NAB lignin (S/G of 1.30), which favor the formation of C–C linkages, thus impeding its degradation during the AHP.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Transport Processes in a Li-ion Cell during an Internal Short-Circuit

Internal short-circuit in a lithium-ion cell causes an abrupt increase in cell temperature and triggers subsequent thermal runaway. In this work, we present a detailed electrochemical-thermal model to investigate the physical behavior during an internal short-circuit. Simulations at wide range of heat transfer coefficients and short-circuit resistances are conducted to illustrate electrochemical and thermal behavior under a wide range of conditions. The Joule heating at the shorted region promotes electrochemical reactions nearby, causing in-plane non-uniformity of electrolyte and active material transport. Furthermore, it is found that diffusion in solid active materials plays a significant role at very high shorting currents (~20 C), as electrochemical reactions rate are being controlled progressively more by availability of Li + at the interface, due to limitations in diffusion through the active material with increasing discharge rates. This diffusion limitation causes a drop in available energy, and subsequently a decrease in cell equilibrium potential and the heat generation rate at the location of the short. On the other hand, rapid depletion of lithium concentration in the electrolyte and accumulation on the electrode surface results in highly non-uniform transport properties resulting in higher heat generation rates. Hence, the heating regime shifts from "local heating" to "global heating". Based on the findings, important design parameters for battery safety are discussed.

25 ENERGY STORAGE↗
DOE OSTI2020

Filament-Free Bulk Resistive Memory Enables Deterministic Analogue Switching

Digital computing is nearing its physical limits as computing needs and energy consumption rapidly increase. Analogue-memory-based neuromorphic computing can be orders of magnitude more energy efficient at data-intensive tasks like deep neural networks, but has been limited by the inaccurate and unpredictable switching of analogue resistive memory. Filamentary resistive random access memory (RRAM) suffers from stochastic switching due to the random kinetic motion of discrete defects in the nanometer-sized filament. Here, this stochasticity is overcome by incorporating a solid electrolyte interlayer, in this case, yttria-stabilized zirconia (YSZ), toward eliminating filaments. Filament-free, bulk-RRAM cells instead store analogue states using the bulk point defect concentration, yielding predictable switching because the statistical ensemble behavior of oxygen vacancy defects is deterministic even when individual defects are stochastic. Both experiments and modeling show bulk-RRAM devices using TiO2-X switching layers and YSZ electrolytes yield deterministic and linear analogue switching for efficient inference and training. Bulk-RRAM solves many outstanding issues with memristor unpredictability that have inhibited commercialization, and can, therefore, enable unprecedented new applications for energy-efficient neuromorphic computing. Beyond RRAM, this work shows how harnessing bulk point defects in ionic materials can be used to engineer deterministic nanoelectronic materials and devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Aligning lithium metal battery research and development across academia and industry

Successful integration of metallic lithium anodes into secondary batteries could enhance energy density and enable new forms of electrified transportation. However, the outlook for widespread lithium metal adoption in energy storage devices remains mixed. This comes in part from existing gaps in our understanding of the relationships connecting the initial state of lithium, its evolution with cycling, and end-of-life state. It remains important to develop standardized protocols for material and cell characterization, cycling performance, safety, and recycling procedures for lithium metal-based batteries. In February 2023 a cohort of scientists and engineers from academia, national laboratories, and industry gathered to converge on a list of critical challenges and action items to provide better understanding of lithium metal evolution and to enhance academic, governmental, and industrial partnerships to address these challenges. Here, we highlight the major discussion topics revolving around the manufacturing of lithium metal, its related metrology and integration into battery form factors, and best practices testing its electrochemical performance relevant to automotive applications. We introduce a power-controlled discharge testing protocol for research and development cells, in alignment between major automotive stakeholders, that may reveal lithium metal battery dynamics closer to practical driving behavior.

25 ENERGY STORAGE↗
DOE OSTI2024

Hidden magnetism and split off flat bands in the insulator metal transition in VO 2

Transition metal d -electron oxides with an odd number of electrons per unit cell are expected to form metals with partially occupied energy bands, but exhibit in fact a range of behaviors, being either insulators, or metals, or having insulator-metal transitions. Traditional explanations involved predominantly electron-electron interactions in fixed structural symmetry. The present work focuses instead on the role of symmetry breaking local structural motifs. Viewing the previously observed V-V dimerization in VO 2 as a continuous knob, reveals in density functional calculations the splitting of an isolated flat band from the broad conduction band. This leads past a critical percent dimerization to the formation of the insulating phase while lowering the total energy. In VO 2 this transition is found to have a rather low energy barrier approaching the thermal energy at room temperature, suggesting energy-efficient switching in neuromorphic computing. Interestingly, sufficient V-V dimerization suppresses magnetism, leading to the nonmagnetic insulating state, whereas magnetism appears when dimerization is reduced, forming a metallic state. This study opens the way to design novel functional quantum materials with symmetry breaking-induced flat bands.

Chemistry↗
DOE OSTI2021

Direct current microplasma formation around microstructure arrays

We demonstrate the formation and transition behaviors of a microplasma around microstructure arrays at different gas pressures via two-dimensional particle-in-cell/Monte Carlo collision simulations. It is found that the microdischarge occurs outside the cathode microcavities at the lowest pressure and starts penetrating the microcavities with a curved sheath edge as the pressure increases. At higher pressure, coupled periodic microhollow cathode discharges (MHCDs) are formed inside the microcavities. Further increasing the gas pressure results in the disappearance of the MHCDs, and the dominant discharge shifts outside of the microcavity, locating above the protrusion tips. The effect of the space charge shielding on the discharge and the conditions for MHCD formation are discussed. The macroscopic discharge parameter scalings with the gas pressure and the electron kinetics are also examined. The results are helpful for deeply understanding the microplasma formation with nonplanar electrodes, which inform the scaling, design, and optimization of microplasma array devices across a wide range of pressure regimes in practical applications.

42 ENGINEERING↗
DOE OSTI2020

High-energy ballistic electrons in low-pressure radio-frequency plasmas

This study demonstrates the presence of a small number of high-energy ballistic electrons (HEBEs) that originate from secondary electrons in low-pressure radio-frequency (rf) plasmas. The kinetic behaviors of the HEBEs are illustrated through electron energy probability functions from the fully kinetic particle-in-cell simulations, showing two wavy high-energy tails and two bifurcations during one rf cycle. Test-particle simulations and a semi-analytical method associated with nonlocal electron kinetics are performed to characterize the HEBE trajectories, which reveal the ballistic nature of the HEBEs and their typical bouncing features between the rf sheaths. Parameter dependence of the HEBEs on the discharge conditions (e.g., gas pressure, gap distance, and rf frequency) are identified, which is relevant to the plasma collisionality. With a pronounced presence of HEBEs, the overall impacts of the secondary electron emission on discharge parameters, such as electron power absorption and ionization rate, are also illustrated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Capturing membrane structure and function in lattice Boltzmann models

Here, we develop a mesoscopic approach to model the nonequilibrium behavior of membranes at the cellular scale. Relying on lattice Boltzmann methods, we develop a solution procedure to recover the Nernst-Planck equations and Gauss's law. A general closure rule is developed to describe mass transport across the membrane, which is able to account for protein-mediated diffusion based on a coarse-grained representation. We demonstrate that our model is able to recover the Goldman equation from first principles and show that hyperpolarization occurs when membrane charging dynamics are controlled by multiple relaxation timescales. The approach provides a promising way to characterize non-equilibrium behaviors that arise due to the role of membranes in mediating transport based on realistic three-dimensional cell geometries.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Physics-Based Continuum Modeling for an Aqueous Rechargeable Zn/MnO 2 Battery

This study introduces a framework for modeling the aqueous Zn/MnO 2 rechargeable battery. A reaction system and a physics-based continuum model are proposed based on two reaction types, one involving insertion and the second related to dissolution and deposition of a solid reaction product. The model, fitted to empirical data, predicts voltage behavior and capacity limitations during cycling, identifying electrolytic zinc depletion as a limiting mechanism, depending on the original cell construction. The research suggests the need for further material characterization and reaction analysis, which will advance our understanding and facilitate the development of grid-scale energy storage solutions.

Electrochemistry↗
DOE OSTI2023

Optimized purification methods for metallic contaminant removal from directly recycled Li-ion battery cathodes

Metallic contaminants pose a significant challenge to the viability of directly recycling Li-ion batteries. To date, few strategies exist to selectively remove metallic impurities from mixtures of shredded end-of-life material (black mass; BM) without concurrently damaging the structure and electrochemical performance of the target active material. We herein present tailored methods to selectively ionize two major contaminants—Al and Cu—while retaining a representative cathode (LiNi 0.33 Mn 0.33 Co 0.33 O 2 ; NMC-111) intact. This BM purification process is conducted at moderate temperatures in a KOH-based solution matrix. We rationally evaluate approaches to increase both the kinetic corrosion rate and the thermodynamic solubility of Al 0 and Cu 0 , and evaluate the impact of these treatment conditions on the structure, chemistry, and electrochemical performance of NMC. Specifically, we explore the impacts of chloride-based salts, a strong chelating agent, elevated temperature, and sonication on the rate and extent of contaminant corrosion, while concurrently evaluating the effects on NMC. The reported BM purification process is then demonstrated on samples of “simulated BM” containing a practically relevant 1 wt% concentration of Al or Cu. Increasing the kinetic energy of the purifying solution matrix through elevated temperature and sonication accelerates the corrosion of metallic Al and Cu, such that ∼100% corrosion of 75 μm Al and Cu particles is achieved within 2.5 hr. Further, we determine that effective mass transport of ionized species critically impacts the efficacy of Cu corrosion, and that saturated Cl – hinders rather than accelerates Cu corrosion by increasing solution viscosity and introducing competitive pathways for Cu surface passivation. The purification conditions do not induce bulk structural damage to NMC, and electrochemical capacity is maintained in half-cell format. Testing in full cells suggests that a limited quantity of residual surface species are present after treatment, which initially disrupt electrochemical behavior at the graphite anode but are subsequently consumed. Process demonstration on simulated BM suggests that contaminated samples—which prior to treatment show catastrophic electrochemical performance—can be recovered to pristine electrochemical capacity. The reported BM purification method offers a compelling and commercially viable solution to address contamination, particularly in the “fine” fraction of BM where contaminant sizes are on the same order of magnitude as NMC and where traditional separation approaches are unfeasible. Thus, this optimized BM purification technique offers a pathway towards viable direct recycling of BM feedstocks that would otherwise be unusable.

25 ENERGY STORAGE↗
NASA NTRS1973

Carbon monoxide detector

A sensitive carbon monoxide detector, developed specifically for spacecraft use, is described. An instrument range of 0 to 60 ppm CO in air was devised. The fuel cell type detector is used as a highly sensitive electrolysis cell for electrochemically detecting gases. The concept of an electrochemical CO detector is discussed and the CO oxidation behavior in phosphoric and sulfuric acid electrolytes is reported.

Holleck, G. L.↗
NASA NTRS1985

Hormone Purification by Isoelectric Focusing

Various ground-based research approaches are being applied to a more definitive evaluation of the natures and degrees of electroosmosis effects on the separation capabilities of the Isoelectric Focusing (IEF) process. A primary instrumental system for this work involves rotationally stabilized, horizontal electrophoretic columns specially adapted for the IEF process. Representative adaptations include segmentation, baffles/screens, and surface coatings. Comparative performance and development testing are pursued against the type of column or cell established as an engineering model. Previously developed computer simulation capabilities are used to predict low-gravity behavior patterns and performance for IEF apparatus geometries of direct project interest. Three existing mathematical models plus potential new routines for particular aspects of simulating instrument fluid patterns with varied wall electroosmosis influences are being exercised.

Bier, M.↗
NASA NTRS1985

A theory of post-stall transients in axial compression systems. II - Application

Using the theory developed in Part I, calculations have been carried out to show the evolution of the mass flow, pressure rise, and rotating-stall cell amplitude during compression system post-stall transients. In particular, it is shown that the unsteady growth or decay of the stall cell can have a significant effect on the instantaneous compressor pumping characteristic and hence on the overall system behavior. A limited parametric study is carried out to illustrate the impact of different system features on transient behavior. It is shown, for example, that the ultimate mode of system response, surge or stable rotating stall, depends not only on the B parameter, but also on the compressor length-to-radius ratio. Small values of this latter quantity tend to favor the occurrence of surge, as do large values of B. Based on the analytical and numerical results, several specific topics are suggested for future research on post-stall transients.

Greitzer, E. M.↗
NASA NTRS1991

Mechanical characterization and modeling of non-linear deformation and fracture of a fiber reinforced metal matrix composite

The nonlinear anisotropic mechanical behavior of an aluminum alloy metal matrix composite reinforced with continuous alumina fibers was determined experimentally. The mechanical behavior of the composite were modeled by assuming that the composite has a periodical microstructure. The resulting unit cell problem was solved with the finite element method. Excellent agreement was found between theoretically predicted and measured stress-strain responses for various tensile and shear loadings. The stress-strain responses for transverse and inplane shear were found to be identical and this will provide a simplification of the constitutive equations for the composite. The composite has a very low ductility in transverse tension and a limited ductility in transverse shear that was correlated to high hydrostatic stresses that develop in the matrix. The shape of the initial yield surface was calculated and good agreement was found between the calculated shape and the experimentally determined shape.

Jansson, S.↗
NASA NTRS1991

Finite-volume application of high-order ENO schemes to two-dimensional boundary-value problems

Finite-volume applications of high-order accurate ENO schemes to two-dimensional boundary-value problems are studied. These schemes achieve high-order spatial accuracy, in smooth regions, by a piecewise polynomial approximation of the solution from cell averages. In addition, this spatial operation involves an adaptive stencil algorithm in order to avoid the oscillatory behavior that is associated with interpolation across steep gradients. High-order TVD Runge-Kutta methods are employed for time integration, thus making these schemes best suited for unsteady problems. Fifth- and sixth-order accurate applications are validated through a grid refinement study involving the solutions of scalar hyperbolic equations. A previously proposed extension for the Euler equations of gas dynamics is tested, including its application to solutions of boundary-value problems involving solid walls and curvilinear coordinates.

Casper, Jay↗