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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Revolutionizing Energy Storage: AI, Automation, and Advanced Modeling as Catalysts for Next-Generation Breakthroughs

The Presidential Symposium (PRES) at the 2025 Fall Meeting, hosted by the President’s Office and Energy and Fuels Division, American Chemical Society (ACS) in Washington, DC, brought together a diverse group of chemists, engineers, and materials scientists working in battery materials & systems, automation and artificial intelligence from academia, industry, and national laboratories. The accelerating demand for high-performance, scalable, and sustainable energy storage has catalyzed a paradigm shift in how materials are dis-covered, devices are engineered, and systems are optimized. This Presidential Symposium, entitled “Revolutionizing Energy Storage: AI, Automation, and Advanced Modeling Driving Next-Gen Breakthroughs”, brings together global leaders to unveil transformative strategies anchored in the AAA framework: Artificial Intelligence, Automation, and Advanced Modeling. Artificial Intelligence is redefining the frontiers of energy storage by enabling predictive design, real-time optimization, and intelligent control across diverse chemistries and architectures. Automation is streamlining the synthesis, characterization, and testing of battery materials, dramatically accelerating innovation cycles and unlocking scalable solutions for grid and mobility applications. Advanced Modeling, spanning atomic to system-level scales, provides unprecedented insight into electrochemical dynamics, degradation pathways, and thermal behavior, particularly when coupled with physics-informed machine learning and digital twin technologies. Digital twins, in turn, leverage the AAA framework by integrating real-time data, physics-based models, and AI predictions into dynamic virtual replicas, enabling proactive diagnostics, optimization, and system resilience. Together, these synergistic pillars are not only re-shaping the scientific landscape but also forging a new era of reproducible, data-driven, and resilient energy storage innovation. In conclusion, this symposium marks a pivotal moment in the convergence of computational intelligence and experimental rigor, charting the course for next-generation breakthroughs in lithium-ion, solid-state, and flow battery technologies.

Artificial Intelligence (AI)↗
DOE OSTI2025

Self-consistent hardness measurements spanning eleven decades of strain rate on a single material surface

A comprehensive understanding of material strength across strain rates typically requires the combination of results from different methods, which often vary in loading conditions and/or sampled volumes, leading to discrepancies in material behavior. This study presents a microindentation approach to measure hardness covering eleven orders of magnitude in strain rate, from quasi-static to phonon drag-dominated rates, on a single material surface under uniform testing conditions. By engineering the geometry of impactors used in laser induced particle impact testing, we extend the breadth of accessible strain rates, including multiple distinct rates exceeding 10⁵ s⁻¹. This self-consistent approach provides clearer insights into high-rate deformation mechanisms. Our results demonstrate a gradual increase in hardness with strain rate from quasi-static up to ultra-high rates, where a sharp upturn in hardness is observed.

Engineering↗
DOE OSTI2025

Harnessing nanoscale densification for controlling gas selectivity in flexible zeolitic imidazolate frameworks

Flexible metal-organic frameworks (MOFs) are promising for gas separation due to their molecular recognition capabilities. However, gate-opening behavior in certain flexible MOFs can reduce gas selectivity, enabling simultaneous adsorption of multiple gases. We introduce a binder-free, pressure-free densification process to enhance gas selectivity in flexible zeolitic imidazolate frameworks (ZIF-7 and ZIF-9) by optimizing nanoparticle packing. Unlike powders, the densified ZIF-7 and ZIF-9 retain rhombohedral crystal structures after solvent removal, confirmed via synchrotron powder X-ray diffraction. This process modifies adsorption behavior by introducing a diffusion barrier, enabling diffusivity-driven kinetic separation and enhanced CO2/hydrocarbon selectivity. At 0.5 bar, ZIF-7 mono shows 2×, 4×, and 9.5× higher CO 2 selectivity over C 2 H 2 , C 2 H 4 , and C 2 H 6 , respectively, versus ZIF-7 pwd . ZIF-9 mono similarly shows 6.5×, 3×, and 39× improvements over ZIF-9 pwd . Both monoliths outperform powders in ternary gas mixtures. This study provides a novel strategy to control gate opening and enhance gas selectivity in flexible MOFs for practical separation applications.

CO2/hydrocarbon separation↗
DOE OSTI2026

SynthEsizing Novel H2 Sensors for Operational Resilience in Pipeline Infrastructure (SENSOR)

A flexible and extensible computational framework acts as a black-box materials discovery engine, capable of screening, predicting, and designing advanced materials with minimal manual intervention was developed. While developed for hydrogen sensing, the approach can be readily adapted to other materials challenges, offering a powerful tool for data-driven materials innovation.

08 HYDROGEN↗
DOE OSTI2025

Toward engineering lattice structures with the material point method (MPM)

This study examines the potential of two variants of the material point method—the generalized interpolation material point (GIMP) and dual domain material point (DDMP) methods—in developing a robust computational framework for engineering lattice structures under different loading conditions. The study begins with assessing the ability of the two methods in predicting elastic buckling phenomena using column geometries with and without initial geometric imperfections. The results indicate that both methods effectively capture buckling phenomena when initial geometric imperfections are introduced. After this verification step, we create several models of tetrahedral lattice structures with varying strut diameter and orientation and subject them to quasi-static loading. We then validate the numerical results using laboratory test results. The results show that, while both methods accurately predict load–displacement curves in the pre-buckling regime, their predictive capabilities diminish in the post-buckling regime. Through visual comparison between the numerical and experimental deformed shapes, it appears that the discrepancies between model and experimental results are attributed to initial geometric imperfections in the lattices that occurred during 3D printing. We then establish a second set of lattice models where different types of initial geometric imperfections are considered. The results from these models show that imperfections have a negligible influence in the pre-buckling regime but affect the behavior considerably in the post-buckling regime. As a final step in this work, we subject the lattice models to impact loading and employ hypothetical soft and stiff materials. These results show that the lattice stiffness, which depends on material stiffness, strut diameter, and orientation, significantly influences the ability of a lattice structure to resist impact. In particular, we find that a stiffer lattice (i.e., one made with a stiff material and thicker struts) is capable of absorbing more energy than a softer one during impact. Although material nonlinearities, inelasticity, and detailed contact formulations are not considered in this study, the findings obtained herein lay the groundwork for engineering lattice structures under extreme loading conditions through a simulation-driven framework based on particle-based methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

3D-Bioprinted Marine Bacteria for the Degradation of Polyhydroxybutyrate Bioplastics

The severe, long-lasting harm caused by plastic pollution to marine ecosystems and coastal economies has led to the development of biodegradable plastics; however, their limited decomposition in marine environments remains a challenge. Here, technologies are presented for creating 3D-bioprinted living materials as a proof of concept for bioplastic degradation, with specific use in marine environments. The approach developed here integrates the halotolerant bioplastic-degrading bacterium Bacillus sp. NRRL B- 14911 into alginate-based bio-ink to print an engineered living material (ELM) termed a “bio-sticker.” Quantification of bacteria viability reveals that bioprinted marine bacteria survive within biostickers for more than 3 weeks. The rate at which the biostickers degrade the bioplastic polyhydroxybutyrate (PHB) can be tuned by altering biosticker biomass concentration, bioplastic concentration, or incubation temperature. Biostickers that are transferred to a different PHB sample still retain high biodegradation activity, demonstrating their reusability. Strain sweep oscillatory tests demonstrate that the biostickers display predominantly viscoelastic behavior. Monotonic tensile tests indicate that the elastic modulus and the adhesion of the biostickers are not negatively impacted by bacteria growth or incubation temperature. This work paves the way for the development of ELMs to facilitate the inclusion of bioplastics within the blue economy, promoting the emergence of more sustainable and ecofriendly materials.

3D bioprinting↗
DOE OSTI2024

Understanding interfacial crystallization dynamics on carbon fiber reinforced polypropylene composite manufacturing

Reinforcing polymers with discontinuous fibers improves mechanical properties, such as strength and stiffness, and in some cases achieve isotropic properties, rendering them suitable for various engineering applications. Matrix materials are generally highly engineered thermosets (e.g. crosslinked epoxies), bonded to the fiber periphery by proprietary surface and sizing chemistries. Semicrystalline thermoplastic matrices are less utilized due to poor fiber-matrix bonding resulting in inefficient interfacial load-transfer in reinforced composites. However, flexibility with melt-processing or molding conditions can be leveraged to promote non-covalent interfacial bonding between matrix and fiber via crystallization of the matrix onto fiber surface. In the present study, we utilize a co-mingle chopped carbon and isotactic polypropylene fibers to form isotropic composites, tailoring interfacial immobilized matrix or interphase morphology to optimize performance through precise control of thermal processing/molding windows. Calorimetry and optical microscopy were employed to investigate the impact of carbon fiber at various volume fractions (10, 20, and 30 %) on isotactic polypropylene crystallization and mechanical performance. Variations in mechanical properties correspond to the structural evolution of the interfacial region and are correlated to underlying microstructural attributes using wide-angle X-ray scattering, thermal analysis, and low-field nuclear magnetic resonance spectroscopy. These results provide a practical framework for the manufacturing of thermoplastic matrix composites. In conclusion, the results presented provide a guide for the strategic optimization of interphase design, showcasing tailorable tensile strengths which outperform any isotactic polypropylene carbon fiber composites previously reported in literature.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Dynamic crushing of metal lattice metamaterials: Shock mode diagrams and transition to topology-independent compaction regime

Additively manufactured lattice metamaterials offer design versatility in strength and energy absorption and provide an additional degree of freedom through the selection of the lattice topology. Under quasistatic loading, the unit cell structure can strongly affect the stiffness, yield, and post-yield behavior, but whether and to what degree the effect of lattice topology persists into dynamic loading scenarios, up to the compaction shock regime, has not been established. LLNL’ s ALE3D hydrocode was used to perform a computational investigation of dynamic loading in multiple lattice types, including the gyroid, octet, Schwarz D, and rhombic dodecahedron, under impact velocities from 0.25 to 2.25 km/s. Shock Hugoniots for each lattice topology are generated and compared, suggesting that above a critical velocity, distinctions between architectures may not persevere and compacted lattices behave similarly. Here, to investigate the transition between topology-dependent quasistatic compression and the topology-independent regime above the critical velocity, a one-dimensional elastic-linear hardening plasticity-densified solid (E-LHP-DS) shock model for lattice materials was developed that relies upon confined compression to link the quasistatic and shock mechanics. Unlike similar works, the model does not assume rigid behavior prior to yield or locking behavior at densification, allowing a richer exploration of lattice mechanics. With only six parameters, the analytical model simultaneously fit quasistatic confined compression simulations for relative densities 0.1 $≤ \bar{ρ} ≤$ 0.9 and predicted dynamic compaction behavior to traverse several distinct shock modes, each defined by a critical impact speed (equivalently, critical stresses). Comparing the numerical results to the one-dimensional E-LHP-DS shock model predictions suggests that the topology-independence under strong shocks is linked to the onset of densification, which can be predicted based on quasistatic confined compression results.

Cellular material↗
DOE OSTI2025

Mechanical and Thermal Characterization of Additively Manufactured Carbon/Nylon 12 and Carbon/PEEK Composites

This study explores additive manufacturing of carbon fiber-reinforced thermoplastic composites using the Composite-Based Additive Manufacturing (CBAM) process. Carbon/Nylon 12 and Carbon/PEEK composites were fabricated and evaluated through mechanical (compression, tensile, flexural, and impact) and thermal (DSC and TGA) tests. Carbon/PEEK exhibited superior mechanical performance, with 97.5% higher tensile strength, 79.8% higher elastic modulus, and 59.6% higher flexural strength compared to Carbon/Nylon 12. Thermal testing showed that Carbon/PEEK had higher thermal stability, beginning degradation at 350 °C versus 298 °C for Carbon/Nylon. These results indicate that CBAM-fabricated Carbon/PEEK composites are suitable for applications requiring high strength and temperature resistance.

Additive manufacturing↗
DOE OSTI2025

Nanoindentation’s imprint on an advanced society: Toward application conditions at the extremes

Abstract As society strives for a more sustainable future, key technologies depend on advanced materials development. Nanoindentation enables highly localized nanoscale measurement of mechanical properties, crucial for optimizing the performance of functional materials. Coupled with chemical charging, variable temperatures, or high deformation speeds, it offers insights into pressing materials science challenges necessary for sustainable energy transitions. This article explores the role of nanoindentation in advancing vital next-generation technologies. Graphical abstract

36 MATERIALS SCIENCE↗
DOE OSTI2025

Surface and bulk two-level-system losses in lithium niobate acoustic resonators

Lithium niobate (LN) is a promising material for building acoustic resonators used in quantum applications, but its performance is limited by poorly understood material defects called two-level systems (TLSs). Here, in this work, we fabricate high-performance acoustic resonators from LN with quality factors up to 6 ×10 7 and use them to separate bulk and surface contributions to TLS loss. By comparing these bulk acoustic wave (BAW) resonators with previous surface-acoustic-wave and phononic-crystal studies, we show that devices with high surface-participation ratios are limited by surface TLSs, while our BAW devices reveal an intrinsic bulk TLS limit. Through systematic surface treatments and microscopy, we demonstrate that BAW resonator performance remains unchanged despite surface modifications, confirming operation in a bulk-limited regime. Here, our work establishes quantitative bounds on both surface and bulk TLS losses in LN within the context of the material growth and fabrication approaches we have pursued, and it provides guidance for future device engineering and materials development.

acoustic wave phenomena↗
DOE OSTI2024

Recovery of Rare Earths, Precious Metals and other Critical Materials from Geothermal Waters with Advanced Sorbent Structures - CRADA 355 (Abstract)

The ability to recover valuable trace level minerals from geothermal brines using high-performance solid-phase sorbents will be explored and developed. A compressive range of sorbent materials will be screened for application to metal extraction from geothermal brines. Preferred sorbents from extraction of trace levels of rare earths (REs), precious metals (PMs), and other critical/strategically valuable materials (CMs) such as Zn, Mn, Te, Sc, Se and U from geothermal brines will be identified. For the preferred sorbents PNNL will determine the volumes they are capable of providing efficient extraction from. The thermal and chemical limits (including, acid, sulfur, salt) for performance of the preferred sorbent materials will be determined; with a target of at least 125°C and perhaps as high as 400° C. Sorbent form factors (including, packed bed, membrane, mats) that can function efficiently and be installed cost effectively in geothermal energy plants will be assessed for chemical and economic viability. Material regeneration and cyclic utilization will be demonstrated, targeting hundreds to thousands of cycles. Options for recovery and purification (including, selective separation of heavy REs) of collected materials will be explored. A techno-economic analysis (TEA) will be performed to assess the best approach to provide a value-added extraction process for geothermal energy systems. The sorbent materials and engineering analysis will be applicable to other industrial processes in which secondary recovery of valuable materials could provide economic benefit.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Precision Polishing of Ablator Capsules via in situ Process Monitoring and Machine Learning–Based Optimization

In inertial confinement fusion (ICF) experiments seeking output gains of unity and beyond, the quality of the ablator capsule is paramount for minimizing the hydrodynamic mix that quenches the central hot spot. Defects in the form of foreign particles or missing mass on the surface and within the wall of the capsule are primary offenders. High-density carbon capsules made for ICF experiments at the National Ignition Facility are precision polished to achieve surface smoothness on the order of a few nanometers as well as to minimize isolated defects in the form of pits. Given the critical role of this process, we are developing smart manufacturing techniques with the goal of elevating the efficiency of this process. Our approach is to use MEMS (micro-electromechanical systems)–based sensors to capture the fine vibration signals generated during the polishing process and combine them with synchronized visual feedback as needed. Beyond using these sensors for process monitoring, we use specific deep learning methods to analyze the data and extract correlations with both the process parameters and the final performance of the polishing run. Here, in this work, we describe the multiple fronts we have explored in this regard and the results we have gotten so far. This approach promises to have the potential to ultimately provide real-time feedback that can be used to ensure the progress of the run as well as a means for faster optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗