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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Linking Friction Scales from Nano to Macro via Avalanches

Abstract Steady-state fluctuations in the friction force of molybdenum disulfide (MoS 2 ), a prototypical lamellar solid, were analyzed experimentally for newton-scale forces and computationally via molecular dynamics simulations for nanonewton-scale forces. A mean field model links the statics and the dynamics of the friction behavior across these eight orders of magnitude in friction force and six orders of magnitude in friction force fluctuations (i.e., avalanches). Both the statistics and dynamics of the avalanches match model predictions, indicating that friction can be characterized as a series of avalanches with properties that are predictable over a wide range of scales.

Salners, Tyler (ORCID:0000000332647944)↗
DOE OSTI2024

Nano-enhanced solid-state hydrogen storage: Balancing discovery and pragmatism for future energy solutions

Nanomaterials have revolutionized the battery industry by enhancing energy storage capacities and charging speeds, and their application in hydrogen (H 2 ) storage likewise holds strong potential, though with distinct challenges and mechanisms. H 2 is a crucial future zero-carbon energy vector given its high gravimetric energy density, which far exceeds that of liquid hydrocarbons. However, its low volumetric energy density in gaseous form currently requires storage under high pressure or at low temperature. This review critically examines the current and prospective landscapes of solid-state H 2 storage technologies, with a focus on pragmatic integration of advanced materials such as metal-organic frameworks (MOFs), magnesium-based hybrids, and novel sorbents into future energy networks. These materials, enhanced by nanotechnology, could significantly improve the efficiency and capacity of H 2 storage systems by optimizing H 2 adsorption at the nanoscale and improving the kinetics of H 2 uptake and release. We discuss various H 2 storage mechanisms—physisorption, chemisorption, and the Kubas interaction—analyzing their impact on the energy efficiency and scalability of storage solutions. The review also addresses the potential of “smart MOFs”, single-atom catalyst-doped metal hydrides, MXenes and entropy-driven alloys to enhance the performance and broaden the application range of H 2 storage systems, stressing the need for innovative materials and system integration to satisfy future energy demands. High-throughput screening, combined with machine learning algorithms, is noted as a promising approach to identify patterns and predict the behavior of novel materials under various conditions, significantly reducing the time and cost associated with experimental trials. In closing, we discuss the increasing involvement of various companies in solid-state H 2 storage, particularly in prototype vehicles, from a techno-economic perspective. In conclusion, this forward-looking perspective underscores the necessity for ongoing material innovation and system optimization to meet the stringent energy demands and ambitious sustainability targets increasingly in demand.

25 ENERGY STORAGE↗
DOE OSTI2021

Experimental investigation of the effect of pore size distribution on nano-particle capture efficiency within ceramic particulate filters

The effect of the pore size distribution on size-resolved filtration efficiency was investigated for two ceramic particulate filters using particulate matter (PM) generated by a spark-ignition direct-injection engine fueled with gasoline. The cordierite filter tested had a porosity of 43%, a median pore diameter (d_50) of 12 µm, and a wide pore size distribution with a lognormal standard deviation (s’) of 0.3. The aluminum titanate filter had very similar porosity, d_50, and thickness, but significantly narrower pore size distribution (s’ = 0.1). The testing of two filters under identical experimental conditions enabled the impact of the pore size distribution on filtration performance to be evaluated. Filtration experiments were performed focusing on just the filter wall, starting from a clean filter until the transition to cake filtration (filtration efficiency > 99%). Time-resolved particle size distribution measurements were used to evaluate the progression of filtration performance and estimate trapped mass within the filter. The aluminum titanate filter, with a narrow pore size distribution, exhibited significantly better diffusion capture efficiency. The negative impact of higher flow velocity on diffusion capture efficiency was more pronounced for a narrower pore size distribution. Flow distributions measured using capillary-flow porometry were used to develop a cylindrical pore flow model to understand the impact of the differences in pore size distribution on observed trends in diffusion capture efficiency within a clean filter. The model helps demonstrate how large pores on the high end of a wider pore size distribution can carry a large fraction of the flow, with less efficient capture of small particles by diffusion. The experimental results and data demonstrate that the bubble point diameter and width of the pore size distribution significantly influence diffusion capture efficiencies for filters with very similar median pore diameter, porosity, and thickness.

aerosol filtration, Aftertreatment, ceramic exhaus↗
DOE OSTI2020

Unidirectional growth of graphene nano-islands from carbon cluster seeds on Ge(1 1 0)

The anisotropic twofold symmetry of Ge(1 1 0) makes it a unique substrate for the growth of single-crystalline graphene. However, the underlying mechanism during the initial stage of growth of graphene on Ge(1 1 0) surface is not well understood. Here, we use in-situ cryogenic scanning tunneling microscopy (STM) and spectroscopy (STS), to study the initial growth properties of graphene synthesized on Ge(1 1 0) surface with ethylene precursor gases. The STM results reveal that the unidirectional growth of the graphene nanoribbons (GNRs) initiates from carbon cluster seeds on terraces during the early stage of the growth. The orientations of the GNRs show the same directions which are nearly parallel to the direction of the Ge(1 1 0) surface. This orientation is the same as that of the wafer-scale graphene grown on Ge(1 1 0). Subsequent growth, transformed the GNRs to graphene nanoislands (GNIs), which eventually coalesced to form single crystalline monolayer graphene. STS measurements demonstrated that the GNRs have small bandgaps induced by the confinement effect of graphene. Furthermore, this study provides an in-depth understanding of the growth mechanism of graphene on Ge(1 1 0) surface in various synthesis conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Tailored mesoporous structures of lignin-derived nano-carbons for multiple applications

This work uses a one-step KOH activation for lignin precursors to produce ultra-high mesoporous activated carbons (ACs) with an unprecedented combination of the surface area of 3207 m 2 g -1 and mesopore ratio of 76%. The ACs are applied for supercapacitors (SCs) and methylene blue (MB) adsorption. The capacitance of the SCs in the three-electrode system reaches 812.3 F g -1 and demonstrates a remarkable maximum MB adsorption capacity of 1250 mg g -1 . By modifying the process conditions, the mesopore ratio of ACs could be controlled from 10% to 80%. Compared with one-step activation, a two-step method produced microporous carbons with a lower surface area of 1227 m 2 g -1 and a high micropore ratio of 73%. The capacitance of SCs with two-step ACs reached 228.1 F g -1 and the maximum adsorption capacity of 476.19 mg g -1 for MB adsorption. The two-step method limited the surface area but had a higher oxygen surface functionality, benefiting its electrochemical performance. A techno-economic analysis reveals that the one-step KOH activation-based process develops ACs with a minimum selling price of $7648/ton. In conclusion, this work demonstrates tuning the processing-structure-property-performance relationship of lignin-based ACs to make an economically viable domestic carbon source.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Interface-engineered (CrMnTiZnCo) 3 O 4 @polypyrrole nano-hybrids for superior lithium storage

High-entropy oxides (HEO) have emerged as promising anode materials for lithium-ion batteries (LIBs) due to their high theoretical specific capacity. However, their practical application is hindered by several challenges, including significant volume expansion, electrode pulverization, and substantial irreversible capacity loss during initial cycles. To address these limitations, this study designed a novel core-shell composite material, denoted as HEO@PPy, which consists of a (CrMnTiZnCo) 3 O 4 -based HEO core and a polypyrrole (PPy) shell. This composite demonstrates remarkable electrochemical performance: it maintains a specific capacity of 1090.1 mAh/g after 100 cycles at 100 mA/g and retains 521.8 mAh/g after 1000 cycles at 1 A/g, highlighting its superior cycling stability. Furthermore, it exhibits excellent rate capability, delivering a capacity of 372.1 mAh/g even at a high current density of 5 A/g. These findings confirm that the strategic compositional and structural design of HEOs, combined with hybridization with conductive polymers like PPy, provides a viable pathway for developing advanced anode materials for next-generation, high-performance lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2021

Bridging the gap between NMR measured mean silicate chain length and nano-scale silicate polymorphism of calcium silicate hydrates

Variable stoichiometry and silicate polymorphism in calcium-silicate-hydrates (C-S-H) has impeded the revelation of point defects distribution in the silicate tetrahedral network of C-S-H, which resembles tobermorite crystal structure with some bridging tetrahedra (BT) and paired tetrahedra (PT) vacancies in dreierketten chains. Here we use a computational approach to characterize silicate polymorphism by introducing the vacancy ratio of BT to PT (α) and establishing a three-term empirical mean chain length (MCL) formula for different calcium-to‑silicon ratios (Ca/Si) ranging from 1.2 to 2.3. The formula identifies BT and PT controls at low and high α respectively and allows an inverse mapping of polymorphic range based on NMR experiments. The proposed computational framework quantitatively describes silicate polymorphs and links NMR-measured MCL to C-S-H atomistic configurations at the molecular level.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Deterioration mechanism of alkali-activated materials in sulfuric acid and the influence of Cu: A micro-to-nano structural, elemental and stable isotopic multi-proxy study

In this study, a multi-proxy approach combining {sup 29}Si, {sup 27}Al and {sup 1}H MAS-NMR, FEG-EPMA, XANES at the Cu K-edge and XRD analytics with hydrochemical tools such as ICP-OES analyses, oxygen-isotope signatures, and thermodynamic modelling was applied to K-silicate-activated metakaolin specimens - with and without CuSO{sub 4}·5H{sub 2}O addition - exposed to sulfuric acid at pH = 2 for 35 days. The results revealed a multistage deterioration mechanism governed by (i) acid diffusion, (ii) leaching of K-A-S-H, (iii) microstructural damage related to precipitation of expansive (K,Ca,Al)-sulfate-hydrate phases (iv) complete dissolution of the K-A-S-H framework, (v) and formation of silica gel in the outermost corroded regions. Copper ions were mainly located in layered spertiniite-chrysocolla-like phases in the as-cured materials. The results demonstrate an overall negative effect of Cu addition on chemical material durability, implying that the reported higher durability of Cu-doped AAM in biocorrosion environments can be best explained by bacteriostatic effects.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Micro- to nano-scale areal heterogeneity in pore structure and mineral compositions of a sub-decimeter-sized Eagle Ford Shale

Mineral and organic matter compositions & pore structures of fine-grained shale influence reservoir properties. To improve the understanding of spatial heterogeneity in core-sized samples, methods of microscale X-ray fluorescence (μXRF) mapping, (ultra-) small-angle x-ray scattering [(U)SAXS] and wide-angle X-ray scattering (WAXS) have been used to determine elemental, pore-structure variations at scales up to ~10 cm on two samples prepared at circular and rectangular orientations from a piece of Eagle Ford Shale outcrop in South Texas, USA. In addition, thin section petrography and field emission-scanning electron microscopy observations, X-ray diffraction (XRD), total organic carbon, and pyrolysis were utilized to investigate the potential spatial heterogeneity of pore types, mineral and organic matter compositions for cm-sized samples at both orientations. Overall, the siliceous-carbonate mineral contents in these two samples (8 cm×8 cm×0.08 cm and 5 cm × 8 cm × 0.08 cm, in terms of width×length×thickness) of carbonate-rich Eagle Ford Shale vary between laminations at mm scales. For the circular sample, porosity and specific surface area (SSA) variations range from 0.82 to 3.04% and 1.51 to 14.1 m 2 /g, respectively. For the rectangular sample, values for porosity and SSA vary from 0.93 to 2.50% and 3.95 to 10.8 m 2 /g. By analyzing six selected sub-samples on each of two samples with (U)SAXS and XRD techniques, nm-sized pores are mainly interparticle ones in the higher calcite regions, where the porosity is also relatively lower, while the lower calcite regions consist of both interparticle and intraparticle pore types with higher porosity. Lastly, the μXRF and (U)SAXS mappings are combined to generate porosity distribution maps to provide more insights about sample heterogeneity related to the laminations and fractures at our observational scales.

58 GEOSCIENCES↗