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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Dissolution-Assisted Pattern Formation During Olivine Carbonation

Olivine and pyroxene bearing rocks in the oceanic crust react with hydrothermal fluids producing changes in the physical characteristics and behaviors of the altered rocks. Notably, these reactions tend to increase solid volume, reducing pore volume, permeability and available reactive surface area; yet, entirely hydrated and/or carbonated rocks are commonly observed in the field. We investigate the evolution of porosity and permeability of fractured dunites reacted with CO 2 -rich solutions in laboratory experiments. The alteration of crack surfaces changes the mechanical and transport properties of the bulk samples. Analysis of three-dimensional microstructural data shows that although precipitation of secondary minerals causes the total porosity of the sample to decrease, an interconnected network of porosity is maintained through channelized dissolution and coupled carbonate precipitation. Lastly, the observed microstructure appears to be the result of chemo-mechanical coupling, which may provide a mechanism of porosity maintenance without the need to invoke reaction-driven cracking.

58 GEOSCIENCES↗
DOE OSTI2022

Suppressing Chemical Corrosions of Lithium Metal Anodes

In this study, the lithium metal anode is essential for next-generation high-energy-density rechargeable Li-metal batteries. Although extensive studies have been performed to prolong the cycle life of Li-metal batteries, the calendar life, which associates with the chemical corrosion of Li metal in liquid electrolytes, has not been quantitatively understood. Here, by combing the titration gas chromatography method and cryogenic focused ion beam, a quantitative relationship between the chemical corrosion rate and electrochemically deposited Li morphology in various liquid electrolyte systems is established. It has been identified that the corrosion rate is dominated by the porosity of the deposited Li. The larger the porosity of deposited Li has, the faster the corrosion rate will be. Strategies to mitigate the chemical corrosion on Li thus to extend the calendar life of Li-metal batteries are further proposed. By strictly controlling the stacking pressure during Li plating, Li deposits with ultra-low porosity can be achieved, suppressing the corrosion rate to 0.08 ± 0.16%/day compared with 1.71 ± 0.19%/day of the high-porosity Li.

25 ENERGY STORAGE↗
DOE OSTI2025

Miscanthus × giganteus increases soil maximum water holding capacity compared to maize

Soil ecosystem services, like the ability to store water, have been depleted after a century of conventional, annual cropping, and perennial crops offer a solution to this and other agricultural environmental issues. We assessed the impact of Miscanthus × giganteus (miscanthus), a perennial biomass crop, on soil water holding capacity and structure compared to continuous maize (Zea mays L.) at two sites in Iowa. After three growing seasons, we measured the following: (1) maximum water holding capacity (MWHC) with and without soil structure, and (2) total porosity and pore size distribution (PSD) via micro-computed tomography (microCT). Miscanthus increased MWHC by 14.7% across both sites relative to maize (p = 0.002), and we attributed this to structural changes due to the lack of a crop effect when measured on structureless soils. No significant changes were detected in soil organic matter, texture, total porosity, or PSD that could explain the increase in MWHC under miscanthus. Our findings suggest that the increases in MWHC are primarily due to structural changes rather than increases in soil organic matter or porosity (at least porosity detectable by microCT). This study highlights miscanthus' potential to enhance soil water storage and underscores the need for further investigation to clarify the mechanisms through which this biomass crop influences soil structural properties.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Prediction by Convolutional Neural Networks of CO 2 /N 2 Selectivity in Porous Carbons from N 2 Adsorption Isotherm at 77 K

Abstract Porous carbons are an important class of porous materials with many applications, including gas separation. An N 2 adsorption isotherm at 77 K is the most widely used approach to characterize porosity. Conventionally, textual properties such as surface area and pore volumes are derived from the N 2 adsorption isotherm at 77 K by fitting it to adsorption theory and then correlating it to gas separation performance (uptake and selectivity). Here the N 2 isotherm at 77 K was used directly as input (representing feature descriptors for the porosity) to train convolutional neural networks to predict gas separation performance (using CO 2 /N 2 as a test case) for porous carbons. The porosity space for porous carbons was explored for higher CO 2 /N 2 selectivity. Porous carbons with a bimodal pore‐size distribution of well‐separated mesopores (3–7 nm) and micropores (<2 nm) were found to be most promising. This work will be useful in guiding experimental research of porous carbons with the desired porosity for gas separation and other applications.

Wang, Song↗
DOE OSTI2020

Prediction by Convolutional Neural Networks of CO 2 /N 2 Selectivity in Porous Carbons from N 2 Adsorption Isotherm at 77 K

Abstract Porous carbons are an important class of porous materials with many applications, including gas separation. An N 2 adsorption isotherm at 77 K is the most widely used approach to characterize porosity. Conventionally, textual properties such as surface area and pore volumes are derived from the N 2 adsorption isotherm at 77 K by fitting it to adsorption theory and then correlating it to gas separation performance (uptake and selectivity). Here the N 2 isotherm at 77 K was used directly as input (representing feature descriptors for the porosity) to train convolutional neural networks to predict gas separation performance (using CO 2 /N 2 as a test case) for porous carbons. The porosity space for porous carbons was explored for higher CO 2 /N 2 selectivity. Porous carbons with a bimodal pore‐size distribution of well‐separated mesopores (3–7 nm) and micropores (<2 nm) were found to be most promising. This work will be useful in guiding experimental research of porous carbons with the desired porosity for gas separation and other applications.

Wang, Song↗
DOE OSTI2013

Uncertainty quantification for evaluating impacts of caprock and reservoir properties on pressure buildup and ground surface displacement during geological CO2 sequestration

A series of numerical test cases reflecting broad and realistic ranges of geological formation properties was developed to systematically evaluate and compare the impacts of those properties on geomechanical responses to CO2 injection. A coupled hydro-geomechanical subsurface transport simulator, STOMP (Subsurface Transport over Multiple Phases), was adopted to simulate the CO2 migration process and geomechanical behaviors of the surrounding geological formations. A quasi-Monte Carlo sampling method was applied to efficiently sample a high-dimensional parameter space consisting of injection rate and 14 subsurface formation properties, including porosity, permeability, entry pressure, irreducible gas and aqueous saturation, Young’s modulus, and Poisson’s ratio for both reservoir and caprock. Generalized cross-validation and analysis of variance methods were used to quantitatively measure the significance of the 15 input parameters. Reservoir porosity, permeability, and injection rate were found to be among the most significant factors affecting the geomechanical responses to the CO2 injection. We used a quadrature generalized linear model to build a reduced-order model that can estimate the geomechanical response instantly instead of running computationally expensive numerical simulations.

CO2 geological sequestration↗
DOE OSTI2021

Evolution of eggshell structure in relation to nesting ecology in non-avian reptiles

Amniotic eggs are multifunctional structures that enabled early tetrapods to colonize the land millions of years ago, and are now the reproductive mode of over 70% of all terrestrial amniotes. Eggshell morphology is at the core of animal survival, mediating the interactions between embryos and their environment, and has evolved into a massive diversity of forms and functions in modern reptiles. These functions are critical to embryonic survival and may serve as models for new antimicrobial and/or breathable membranes. However, we still lack critical data on the basic structural and functional properties of eggs, particularly of reptiles. Here, we first characterized egg shape, shell thickness, porosity, and mineralization of eggs from 91 reptile species using optical images, scanning electron microscopy, and micro computed tomography, and collected data on nesting ecology from the literature. We then used comparative analyses to test hypotheses on the selective pressures driving their evolution. We hypothesized that eggshell morphology has evolved to protect shells from physical damage and desiccation, and, in support, found a positive relationship between thickness and precipitation, and a negative relationship between porosity and temperature. Although mineralization varied extensively, it was not correlated with nesting ecology variables. Ancestral state reconstructions show thinning and increased porosity over evolutionary time in squamates, but the opposite in turtles and crocodilians. Egg shape, size, porosity and calcification were correlated, suggesting potential structural or developmental tradeoffs. This study provides new data and insights into the morphology and evolution of reptile eggs, and raises numerous questions for additional research.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Synthesis and characteristics of porous ceramic tubes: a comparison of centrifugal casting and cold isostatic pressing methods

Short porous ceramic tubes in small quantities are needed for membrane-related research and development efforts and can be synthesized by centrifugal casting (CC) or cold isostatic pressing (CIP) methods. Here, this work evaluates the characteristics of porous ceramic tubes prepared by both methods and provides a strategy for selecting the proper method for ceramic tube fabrication, depending on its application. Samarium-doped ceria (SDC) with an average crystallite size of 10 nm was synthesized by a citrate method and used to make porous SDC tubes by the CC and CIP methods under different conditions. Porous SDC tubes were prepared from an aqueous suspension of the SDC powder with polyvinyl alcohol (PVA) using a cylindrical metallic mold, centrifugated at 4000–6000 rpm, followed by sintering in 1200–1500 °C. SDC tubes were also made by the CIP method from the SDC powder placed inside a cylindrical rubber bag followed by isostatic compression at 1379 bar. The pore structure of the SDC tubes was characterized by helium permeation and liquid nitrogen Archimedes method. Due to high compression pressure giving a low porosity green tube, the CIP method with lower sintering temperature produces SDC tubes with much lower porosity and average pore size and similar tortuosity compared to the CC methods. The CIP method should be used to prepare low porosity or dense ceramic tubes, and the CC method should be used for preparing high-porosity ceramic tubes or tubes with pore gradient tube wall.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effects of bridging fibers on the evolution of lamellar architecture during H 2 /H 2 O redox cycling of Fe-foams

Fe/Fe 3 O 4 redox cycling via cyclic H 2 /H 2 O exposure at 800 °C is studied in lamellar Fe foams with 15 vol% fibers, created by freeze-casting. Fibers were integrated in the foams to mitigate densification during cycling by mechanically supporting neighboring lamellae, thus preventing buckling and sintering at contact points. Three fiber types are examined: short (0.1 mm) and long (1–2 mm) stainless-steel fibers, and long zirconia fibers. Long fibers bridge lamellae and have a marked effect on the architecture by increasing the initial interlamellar porosity (from < 60 to > 85%), with a corresponding decrease in foam shrinkage during initial reduction and sintering (from > 80 to < 55% volumetric loss). Though performance improves as compared to fiber-free foams, fiber effectiveness against damage decreases with cycling: after 10 redox cycles, porosity falls from 85 to 50% for foams with long fibers. One novel degradation mechanism is identified: fiber engulfment. This mechanism occurs over successive redox cycles, as material from the lamellae cyclically engulfs (as Fe 3 O 4 ) and withdraws (as Fe) from the fibers, with a net transport from lamellae to fibers after each cycle. Finally, this cyclic coarsening mechanism alters foam architecture from bridged-lamellar (with evenly distributed porosity) to mixed lamellar/fibrous (with unevenly distributed porosity).

36 MATERIALS SCIENCE↗
DOE OSTI2016

The effect of open-cell metal foams strut shape on convection heat transfer and pressure drop

Metal foams are promising materials for applications where enhancement of heat transfer is needed. Their performance depends on morphological parameters, such as the diameters of cells, pores, and struts, the porosity, the shape of struts. The effect of strut shape on convection heat transfer and pressure drop in open-cell metal foams has been investigated numerically in this paper by introducing the foam shape factor, a parameter that characterizes the shape of the strut. The analysis has been carried out both on real and ideal foams. The geometry of three 40 Pores Per Inch (PPI) real foams, with 0.87, 0.94 and 0.96 average measured porosities, was determined with X-ray Computed Microtomography (XCT) and a morphological analysis of the XCT data was carried out. The geometry of the ideal foams, based on the Lord Kelvin foam model, with the same PPI and porosities as those of the real foams, was generated with the free-to-use software Surface Evolver, building up foams with different strut shapes. Governing equations have been solved with a finite element scheme, assuming a uniform heat flux condition at the solid/fluid boundary of the foam. Results are presented in terms of convection heat transfer coefficients and pressure distributions as a function of strut shape parameters. Here, the comparison between predictions for ideal and real foams, for different strut shapes, confirms that, in all cases, the closer the form of the ideal strut to that of the real strut the better the agreement among predictions. It is also pointed out that the convection heat transfer coefficient is maximized when, at equal porosity, the ligament shape is convex, while a concave strut shape maximizes the pressure drop.

42 ENGINEERING↗
DOE OSTI2020

Molecular scale insight of pore morphology relation with mechanical properties of amorphous silica using ReaxFF

Porous materials are typically heterogeneous and they contain large variations of micro-/nano-pore structures, causing complicated behaviors. In continuum models, most mechanical properties of porous materials are estimated based on porosity, while the variations of micro/nano structures are ignored. That could be problematic as the microscopic heterogeneity may affect the mechanical response of porous materials. Thus, understanding micro/nano heterogeneity impact has been the focus in many scientific and engineering subjects. In the present study, we investigated the effect of nanopore structure (including pore shape and orientation) as well as porosity on mechanical properties of amorphous silica (a-SiO 2 ). The pore sizes in our simulations are comparable to the corresponding ones observed in a-SiO 2 based materials. We found that the existing of nanopores strongly influences Young’s modulus (E) and critical energy release rate (G IC ). These properties decrease with increasing porosity. Importantly, the impact of nanopores was characterized by structural parameters of porous materials. In addition to dependency on porosity, Young’s modulus also was found to vary as a function of potential energy per atom, which highly depends on nanopore shape. Furthermore, critical energy release rate was found to increase with increasing ligament length (also known as pore wall thickness). Finally, the results highlighted the importance of nanopore structures, which must be taken into account when studying fracture mechanisms in porous materials. Based on our findings, it was proposed that mechanical properties of porous materials can be controlled by nano-engineering pore structures.

36 MATERIALS SCIENCE↗
DOE OSTI2018

X-ray computed tomography of microstructure evolution during matrix impregnation and curing in unidirectional fiber beds

Microstructural evolution during axial impregnation and subsequent curing of a preceramic polymer in unidirectional ceramic fiber beds is studied using X-ray computed tomography. The principal goal is to identify connections between void locations, void sizes, local fiber bed porosity, fiber movement, and impregnation conditions. The degree of saturation after impregnation is found to increase with instantaneous capillary number. But, because of the need to create pathways for gas escape during curing, fiber beds with high saturation after impregnation show the largest reductions in saturation during curing. Notwithstanding, saturation after curing increases with instantaneous capillary number. Voids tend to form in the largest channels between fibers, where the local fiber bed porosity is high, during both impregnation and curing. Here, void formation is typically accompanied by fiber movement that increases both the local fiber bed porosity near voids and the overall non-uniformity in the fiber bed, as measured by local porosity entropy.

(A - Material) fibers↗
DOE OSTI2019

Comparing non-destructive 3D X-ray computed tomography with destructive optical microscopy for microstructural characterization of fiber reinforced composites

Due to their lightweight, relatively high stiffness properties, and formability into complex shapes, discontinuous fiber composites are advantageous for producing small and medium size components. Improved characterization techniques and post-processing methodologies are required for more reliable quantification of the microstructure and defect distributions in these materials, in order to employ model-based approaches to assess their structural integrity. This work compares a non-destructive X-ray approach with a destructive optical microscopy approach for characterizing the microstructural attributes, specifically the fiber volume fraction, porosity volume fraction, fiber orientation distribution, and fiber length distribution of discontinuous glass fibers in a polypropylene matrix. Additionally, a method for destructively determining the ambiguous components of the orientation tensor (related to the sign ambiguity of the out-of-plane angle in a destructive cross-sectional cut of a fiber) over a large surface area is included. It was found that fiber volume fraction and average fiber aspect ratio matched well, while fiber orientation and porosity detection had small but notable differences. The differences in the detection capabilities of each technique are quantified and discussed shedding light on the specific advantages and disadvantages of each approach, and enabling engineers to quantify uncertainty in their microstructural characterization measurements especially as they relate to model based structural integrity activities.

Non-destructive testing↗
DOE OSTI2017

Pore-scale study of multiphase reactive transport in fibrous electrodes of vanadium redox flow batteries

The electrode of a vanadium redox flow battery generally is a carbon fibre-based porous medium, in which important physicochemical processes occur. In this work, pore-scale simulations are performed to study complex multiphase flow and reactive transport in the electrode by using the lattice Boltzmann method (LBM). Four hundred fibrous electrodes with different fibre diameters and porosities are reconstructed. Both the permeability and diffusivity of the reconstructed electrodes are predicted and compared with empirical relationships in the literature. Reactive surface area of the electrodes is also evaluated and it is found that existing empirical relationship overestimates the reactive surface under lower porosities. Further, a pore-scale electrochemical reaction model is developed to study the effects of fibre diameter and porosity on electrolyte flow, V II /V III transport, and electrochemical reaction at the electrolyte-fibre surface. Finally, evolution of bubble cluster generated by the side reaction is studied by adopting a LB multiphase flow model. Effects of porosity, fibre diameter, gas saturation and solid surface wettability on average bubble diameter and reduction of reactive surface area due to coverage of bubbles on solid surface are investigated in detail. It is found that gas coverage ratio is always lower than that adopted in the continuum model in the literature. Furthermore, the current pore-scale studies successfully reveal the complex multiphase flow and reactive transport processes in the electrode, and the simulation results can be further upscaled to improve the accuracy of the current continuum-scale models.

25 ENERGY STORAGE↗
DOE OSTI2017

Environmental exposure to TiO 2 nanomaterials incorporated in building material

Nanomaterials are increasingly being used to improve the properties and functions of common building materials. A new type of self-cleaning cement incorporating TiO 2 nanomaterials (TiO 2 -NMs) with photocatalytic properties is now marketed. This promising cement might provide air pollution-reducing properties but its environmental impact must be validated. During cement use and aging, an altered surface layer is formed that exhibits increased porosity. The surface layer thickness alteration and porosity increase with the cement degradation rate. The hardened cement paste leaching behavior has been fully documented, but the fate of incorporated TiO 2 -NMs and their state during/after potential release is currently unknown. In this study, photocatalytic cement pastes with increasing initial porosity were leached at a lab-scale to produce a range of degradation rates concerning the altered layer porosity and thickness. No dissolved Ti was released during leaching, only particulate TiO 2 -NM release was detected. The extent of release from this batch test simulating accelerated worst-case scenario was limited and ranged from 18.7 ± 2.1 to 33.5 ± 5.1 mg of Ti/m 2 of cement after 168 h of leaching. TiO 2 -NMs released into neutral aquatic media (simulate pH of surface water) were not associated or coated by cement minerals. The TiO 2 -NM release mechanism is suspected to start from freeing of TiO 2 -NMs in the altered layer pore network due to partial cement paste dissolution followed by diffusion into the bulk pore solution to the surface. The extent of TiO 2 -NM release was not solely related to the cement degradation rate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Two-phase flow numerical analysis of electrode geometry for alkaline water electrolyzers

Hydrogen is a promising component of a future energy-secure and efficient economy, but its competitiveness depends on reducing production costs. One strategy is to operate alkaline water electrolyzers at higher current densities to increase output. However, this intensifies performance losses due to gas bubble accumulation, which blocks transport pathways and deactivates electrochemically active surfaces. Enhancing bubble evacuation through electrode design is therefore essential. Previous studies have explored various approaches — such as modifying surface morphology, applying sonication or pressure modulation, and introducing surfactants — but these efforts have addressed a limited range of conditions due to the complexity of two-phase flow and electrode geometries. Experiments have also largely been focused on either cell level improvements, which lack the information necessary to isolate each contributing factor, or on modified geometries that are not relevant to practical cell operation. From a modeling perspective, conventional Eulerian multiphase models do not track the complex gas–liquid interfacial dynamics and often neglect surface tension and contact angle effects, reducing their predictive accuracy. To provide insights on the effects of different electrode geometries on the performance of alklaine water electrolyzers this work employs an immersed boundary volume-of-fluid method to simulate bubble behavior in 3D porous electrodes. Multiple base electrode geometries, typically used in practice, with varying porosity are evaluated under a constant surface gas generation rate. Simulation data is analyzed to quantify electrode gas coverage, bubble size dynamics and other relevant metrics. Results show that porosity strongly influences bubble accumulation on electrode surfaces, with higher porosity reducing gas coverage, and its not strictly dependent on the electrode geometry. However, the electrode’s base geometry significantly affects gas accumulation at the separator gap, independent of porosity. A foam electrode geometry resulted in the lowest gas coverage of all electrodes with a median volumetric gas coverage of 11%, but at the cost of a 70% reduction in active area compared with the largest surface area electrode, while gyroid electrodes showed the best trade-off between gas coverage, particularly at the separator surface, and electrochemically active area. In conclusion, the results highlight the need for holistic electrode design strategies.

Alkaline↗
DOE OSTI2021

Mechanics of vitrimer particle compression and fusion under heat press

The compression and fusion of vitrimer particles is a fundamental problem underlying the recycling of vitrimers. Incomplete particle compression can lead to voids in the fused vitrimer, thereby impacting its mechanical property. In this work, we present a two-dimensional finite element model to capture the interplay of multiple complex mechanisms including random particle packing, large deformation, inter-particle contact, thermally activated bulk stress relaxation, and interface healing. Specifically, we focus on understanding two key components of this problem: i) evolution of porosity during compression and fusion of randomly packed vitrimer particles, and ii) effective tensile modulus and strength of fused vitrimer. Using the finite element model, we first show that using smaller particles can reduce the porosity in the fused vitrimer, which only slightly increases the effective modulus, but the increase in tensile strength is more pronounced. In addition, under the same processing conditions, particles with mixed sizes can achieve better densification and higher tensile strength after fusion than uniformly sized particles with the same average radius. Regarding the effects of processing conditions, we discuss how the porosity and effective modulus of the fused vitrimer depend on the processing time, temperature and pressure, and find a general trend consistent with experimental observations, i.e. longer processing time, higher temperature or higher pressure can lead to lower porosity and higher modulus of the fused vitrimer. Finally, the theoretical insights towards the compression and fusion process as well as the simulation framework can be useful in optimizing the powder-based heat press process of vitrimer and its composites.

42 ENGINEERING↗