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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Topology-enhanced mechanical stability of swelling nanoporous electrodes

Abstract Materials like silicon and germanium offer a 10-fold improvement in charge capacity over conventional graphite anodes in lithium-ion batteries but experience a roughly threefold volume increase during lithiation, which challenges ensuring battery integrity. Nanoporous silicon, created by liquid-metal-dealloying, is a potentially attractive anode design to mitigate this challenge, exhibiting both higher capacity and extended cycle lifetimes. However, how nanoporous structures accommodate the large volume change is unknown. Here, we address this question by using phase-field modeling to produce nanoporous particles and to investigate their elastoplastic swelling behavior and fracture. Our simulations show that enhanced mechanical stability results from the network topology consisting of ligaments connected by bulbous, sphere-like nodes. The ligaments forcefully resist elongation while the nodes, behaving like isolated spherical particles, experience large stresses driving fracture. However, being smaller compared to a sphere of the same volume as the entire nanoporous particle, the nodes are more protected against fracture.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Evolution of micro-pores in Ni–Cr alloys via molten salt dealloying

Porous materials with high specific surface area, high porosity, and high electrical conductivity are promising materials for functional applications, including catalysis, sensing, and energy storage. Molten salt dealloying was recently demonstrated in microwires as an alternative method to fabricate porous structures. The method takes advantage of the selective dissolution process introduced by impurities often observed in molten salt corrosion. This work further investigates molten salt dealloying in bulk Ni–20Cr alloy in both KCl–MgCl 2 and KCl–NaCl salts at 700 °C, using scanning electron microscopy, energy dispersive spectroscopy, and X-ray diffraction (XRD), as well as synchrotron X-ray nano-tomography. Micro-sized pores with irregular shapes and sizes ranging from sub-micron to several microns and ligaments formed during the process, while the molten salt dealloying was found to progress several microns into the bulk materials within 1–16 h, a relatively short reaction time, enhancing the practicality of using the method for synthesis. The ligament size increased from ~ 0.7 μm to ~ 1.3 μm in KCl–MgCl 2 from 1 to 16 h due to coarsening, while remaining ~ 0.4 μm in KCl–NaCl during 16 h of exposure. The XRD analysis shows that the corrosion occurred primarily near the surface of the bulk sample, and Cr 2 O 3 was identified as a corrosion product when the reaction was conducted in an air environment (controlled amount sealed in capillaries); thus surface oxides are likely to slow the morphological coarsening rate by hindering the surface diffusion in the dealloyed structure. 3D-connected pores and grain boundary corrosion were visualized by synchrotron X-ray nano-tomography. This study provides insights into the morphological and chemical evolution of molten salt dealloying in bulk materials, with a connection to molten salt corrosion concerns in the design of next-generation nuclear and solar energy power plants.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Radiation induced effects on mechanical properties of nanoporous gold foams

Previously, it was demonstrated that due to a high surface-to-volume ratio, nanoporous materials display radiation tolerance. The abundance of surfaces, which are perfect sinks for defects, and the relation between ligament size, defect diffusion, and time combine to define a window of radiation resistance [Fu et al., Appl. Phys. Lett. 101, 191607 (2012)]. Outside this window, the dominant defect created by irradiation in Au nanofoams are stacking fault tetrahedra (SFT). Molecular dynamics computer simulations of nanopillars, taken as the elemental constituent of foams, predict that SFTs act as dislocation sources inducing softening, in contrast to the usual behavior in bulk materials, where defects are obstacles to dislocation motion, producing hardening. In this work we test that prediction and answer the question whether irradiation actually hardens or softens a nanofam. Ne ion irradiations of gold nanofoams were performed at room temperature for a total dose up to 4 dpa, and their mechanical behavior was measured by nanoindentation. We observe that hardness increases after irradiation, a result that we analyze in terms of the role of SFTs on the deformation mode of foams.

36 MATERIALS SCIENCE↗
DOE OSTI2014

In-situ investigation of thermal instabilities and solid state dewetting in polycrystalline platinum thin films via confocal laser microscopy

Solid state dewetting and the subsequent morphological changes for platinum thin films grown on zinc oxide (ZnO) buffered (001) silicon substrates (Pt/ZnO/SiO{sub 2}/(001)Si system) is investigated under vacuum conditions via a custom-designed confocal laser microscope coupled with a laser heating system. Live imaging of thin film dewetting under a range of heating and quenching vacuum ambients reveals events including hillock formation, hole formation, and hole growth that lead to formation of a network of Pt ligaments, break up of Pt ligaments to individual islands and subsequent Pt islands shape reformation, in chronological fashion. These findings are corroborated by ex-situ materials characterization and quantitative electron microscopy analysis. A secondary hole formation via blistering before film rupture is revealed to be the critical stage, after which a rapid dewetting catastrophe occurs. This process is instantaneous and cannot be captured by ex-situ methods. Finally, an intermetallic phase forms at 900 °C and alters the morphology of Pt islands, suggesting a practical limit to the thermal environments that may be used for these platinized silicon wafers in vacuum conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Secondary electron emission for reticulated carbon foam surfaces using direct measurements and spectroscopic analysis

This study investigates secondary electron emission (SEE) characteristics of reticulated foams using direct measurements and analytical modeling. Total SEE was quantified, revealing suppression of up to 44% in carbon foam structures compared to planar graphite surfaces. An optimal geometric configuration was identified and supported by analytical models. SEE angular dependence experiments showed diverse behaviors: fiber-like behavior and directional dependence for pore and ligaments on the mm scale, with fuzz-like characteristics when the foam features are between 10–100 µm. Electron energy analyzer measurements showed that carbon foams preferentially suppress inelastic backscattered electrons (BSEs) more so than true secondary electrons (SEs). The analysis indicated a larger fraction of low-energy SE generation in foams compared to flat surfaces due to increased emission from curved fiber ligaments and tertiary SEs from high-energy BSEs. These findings have implications for design and optimization of materials with tailored electron emission properties for applications like plasma-facing components, spacecraft materials, and accelerator surfaces.

Auger↗
DOE OSTI2024

In situ tumor model for longitudinal in silico imaging trials

Abstract Objective.In this article, we introduce a computational model for simulating the growth of breast cancer lesions accounting for the stiffness of surrounding anatomical structures.Approach.In our model, ligaments are classified as the most rigid structures while the softer parts of the breast are occupied by fat and glandular tissues As a result of these variations in tissue elasticity, the rapidly proliferating tumor cells are met with differential resistance. It is found that these cells are likely to circumvent stiffer terrains such as ligaments, instead electing to proliferate preferentially within the more yielding confines of the breast’s soft topography. By manipulating the interstitial tumor pressure in direct proportion to the elastic constants of the tissues surrounding the tumor, this model thus creates the potential for realizing a database of unique lesion morphology sculpted by the distinctive topography of each local anatomical infrastructure. We modeled the growth of simulated lesions within volumes extracted from fatty breast models, developed by Graffet alwith a resolution of 50μm generated with the open-source and readily available Virtual Imaging Clinical Trials for Regulatory Evaluation (VICTRE) imaging pipeline. To visualize and validate the realism of the lesion models, we leveraged the imaging component of the VICTRE pipeline, which replicates the siemens mammomat inspiration mammography system in a digital format. This system was instrumental in generating digital mammogram (DM) images for each breast model containing the simulated lesions.Results.By utilizing the DM images, we were able to effectively illustrate the imaging characteristics of the lesions as they integrated with the anatomical backgrounds. Our research also involved a reader study that compared 25 simulated DM regions of interest (ROIs) with inserted lesions from our models with DM ROIs from the DDSM dataset containing real manifestations of breast cancer. In general the simulation time for the lesions was approximately 2.5 hours, but it varied depending on the lesion’s local environment.Significance.The lesion growth model will facilitate and enhance longitudinal in silico trials investigating the progression of breast cancer.

Engineering↗
DOE OSTI2021

Effects of cyclic plasma heating on surface damage of micro-porous tungsten

The operating temperature window of solid tungsten (W) is dictated by its Ductile to Brittle Transition Temperature (DBTT) and re-crystallization temperature; roughly between 300-1300 °C. The brittleness of W at lower temperatures is exasperated when it undergoes recrystallization. We investigate here the thermal shock resistance of micro-porous W as a meta-material fabricated in a 3D open-cell network structure. We present experimental results for the effects of cyclic high-enthalpy arc-jet plasma on surface damage in three testing categories. Observed damage includes surface ablation of asperities, melting and solidification of W-fuzz on samples that have been exposed to a prior helium plasma, and micro-cracks at ligament triple junctions. Scanning electron microscope (SEM) observations show more micro-cracking on 54% and 23% foams compared to the 43% ones. In all tested samples, thermal expansion/contraction displacements were accommodated by ligament rotation and a network of micro-cracks. Furthermore, no large through-thickness crack were observed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Morphology selection in dealloying: A phase field study of the coupling among kinetic mechanisms

A phase field model is used to investigate how the corrosion rate and morphology of a dealloying metal is controlled by the kinetic rates of bulk solid diffusion, interfacial diffusivity, and interface dissolution. A specific focus is investigating the manner by which variations in these kinetic parameters synergistically influence the onset of a morphological instability at the solid-liquid interface, which is known to precede rapid dealloying corrosion towards highly topologically complex structures such as bicontinuous porous solids. This work demonstrates that this instability can be suppressed by either an increase of interdiffusion in the solid alloy, or by a decreasing rate of dissolution at the solid-liquid interface. When the instability is suppressed, the result is a relatively planar, passivated dealloying front. Importantly, however, coupled changes in kinetic parameters can also promote the morphological instability and sustain fine-scale ligament and pore formation. Finally, the relevance of the solid-liquid interfacial diffusion for determining the rate of dealloying and ligament formation is highlighted. By elucidating the mechanistic influence of bulk and interfacial kinetic factors on the dealloyed morphology, this work helps to rationalize the contrasting morphologies observed in various dealloying systems.

Diffusion↗
DOE OSTI2019

X-Ray Phase Contrast Imaging of Liquid Film and Spray Development Inside an Aircraft Engine Swirler

Modern aircraft engines combine liquid fuel and air using an intricate flow device with many fuel and air flow passages. To date, the process by which the fuel atomizes within this swirler set has not been examined directly due to optical access limitations. In this work, high-speed X-ray phase-contrast imaging of a liquid spray inside a gas turbine engine swirler geometry is presented. Measurements were carried out at the 7-BM beamline of the Advanced Photon Source at Argonne National Laboratory using the high-energy broadband X-ray beam. The synchrotron X-ray source provides the necessary photon energy and flux to capture time-resolved fluid phenomena within the confines of the relevant geometry while liquid and air are flowing. Spray nozzle hardware and geometries were provided by the National Jet Fuels Combustion Program (NJFCP), allowing for characterization of the spray using a commercially relevant configuration. Modified swirlers were three-dimensional printed with acrylic to improve imaging access while maintaining influential internal features. Water was used as a surrogate fluid for these studies to demonstrate the visualization capabilities. The experiments were conducted at atmospheric exit pressure conditions with a pressure drop of 6% across the swirler. High-speed imaging of the pilot spray cone revealed sheet breakup several millimeters downstream of the orifice exit, upon interaction with the radial assist air flow. These droplets and ligaments were observed to impinge on the inner filming surface of the swirler and flow toward the exit while developing a tangential flow. Under these conditions, the liquid film grows up to several hundred microns in thickness on the filming surface, and subsequently forms ligaments up to several millimeters in length before breaking up. This work demonstrates the capability of X-ray diagnostics in visualizing liquid flows within solid geometries of technical relevance. Furthermore, the spatial quantification of filming flows and liquid interaction with the swirler air provides validation data for modeling of the multiphase flows and surface interactions within the swirler.

Sforzo, Brandon A.↗
DOE OSTI2020

Revealing Three-Dimensional Morphology in Nanoporous Gold Using Three-Dimensional X-Ray Fresnel Coherent Diffractive Imaging Tomography

Nanoporous metals fabricated by dealloying have a unique bi-continuous, sponge-like porous structure with ultra-high surface area. The unique properties of these materials, especially nanoporous gold, have numerous potential applications in sensors and actuators and in energy-related applications such as catalytic materials, super-capacitors, and battery supports. The degree of porosity and size of the metal ligaments are critical parameters that determine many properties and thus govern the functionalities of nanoporous metals in many applications including energy storage and conversion. Additionally, we used Fresnel coherent diffractive imaging combined with tomographic reconstruction to quantify the nanoscale three-dimensional spatial distribution and homogeneity of the porosity and ligament size within a bulk sample of nanoporous gold. The average porosity and its standard deviation along the axial direction through the sample were determined, as well as the characteristic feature size and its standard deviation. The result shows that free corrosion is an effective way to create homogeneous nanoporous metals with sample sizes on the order of 1 µm.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Experimental and Numerical Analysis of Additively Manufactured Inconel 718 Coupons With Lattice Structure

Abstract In the present paper, two lattice geometries suitable for near surface and double wall cooling were developed and tested. The first type of unit cell consisted of six ligaments of 0.5 mm diameter joined at a common vertex near the middle. The second type of unit cell was derived from the first type by adding four mutually perpendicular ligaments in the middle plane. Two lattice configurations, referred to as L1 and L2, respectively, were obtained by repeating the corresponding unit cell in streamwise and spanwise directions in an inline fashion. Test coupons consisting of these lattice geometries embedded inside rectangular cooling channel with dimensions of 2.54 mm height, 38.07 mm width, and 38.1 mm in length were fabricated using Inconel 718 powder and selective laser sintering (SLS) process. The heat transfer and pressure drop performance was then evaluated using steady-state tests with constant wall temperature boundary condition and for channel Reynolds number ranging from 2800 to 15,000. The lattices depicted a higher heat transfer compared with a smooth channel and both the heat transfer and pressure drop increased with a decrease in the porosity from L1 to L2. Steady-state conjugate numerical results revealed formation of prominent vortical structures in the inter-unit cell spaces, which diverted the flow toward the top end wall and created an asymmetric heat transfer between the two end walls. In conclusion, these lattice structures provided an augmented heat transfer while favorably redistributing the coolant within channel.

Engineering↗
DOE OSTI2024

Morphological Evolution and Dealloying During Corrosion of Ni20Cr (wt.%) in Molten FLiNaK Salts

The dealloying corrosion behavior of the FCC Ni20Cr (wt%) in molten LiF-NaF-KF (FLiNaK) salts at 600 °C under varying applied potentials was investigated. Using in-operando electrochemical techniques and a multi-modal suite of characterization methods, we connect electrochemical potential, thermodynamic stability, and electro-dissolution kinetics to the corrosion morphologies. Notably, under certain potential regimes, a micron-scale bicontinuous structure, characterized by a network of interconnected pores and ligaments riched with the composition of the more noble (MN) element, becomes prominent. At other potentials both MN and less noble (LN) elements dealloy but at different rates. The dealloying process consists of lattice and grain boundary diffusion of Cr to the metal/salt interface, interphase Cr oxidation, accompanied by surface diffusion of Ni to form interconnected ligaments. At higher potentials, the bicontinuous porous structure undergoes further surface coarsening. Concurrently, Cr(II), Cr(III), and Ni(II) begin to dissolve, with the dissolution of Ni occurring at a significantly slower rate. When solid-state transport of Cr is exceeded by the interfacial rates, dealloying depths are limited.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Predicting Rupture Pressure and Leak Rate of Alloy 600 U-bend Tubes with PWSCC and Comparing with Test Results (Technical Letter Report)

This report summarizes structural integrity work performed for the US NRC that predicts the structural integrity of steam generator (SG) tubes with flaws in the U-bend. The work covers model development and validation for U-bend tubes containing lab-induced primary water stress corrosion cracks (PWSCC). Limit load models for plastic collapse predicting ligament rupture pressure and leak rate of cracked U-bend tubes were developed and validated with pressure tests and finite element analyses (FEAs). Failure pressure and leak rate tests were conducted at room temperature on Alloy 600 U-bend tubes containing flaws located at various locations around the U-bend. Existing models for predicting structural integrity of straight tubes with well defined, rectangular, electro-discharge-machined (EDM) flaws were modified and used to predict the ligament rupture and unstable burst pressures as well as leak rates for the PWSCC flaws in the U-bend section.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Inhibited Surface Diffusion in Nanoporous Multi-Principal Element Alloy Thin Films Prepared by Vacuum Thermal Dealloying

Nanoporous structures with 3D interconnected networks are traditionally made by dealloying a binary precursor. Certain approaches for fabricating these materials have been applied to refractory multi-principal element alloys (RMPEAs), which can be suitable candidates for high-temperature applications. In this study, nanoporous refractory multi-principal element alloys (np-RMPEAs) were fabricated from magnesium-based thin films (VMoNbTaMg) that had been prepared by magnetron sputtering. Vacuum thermal dealloying (VTD), which involves sublimation of a higher vapor pressure element, is a novel technique for synthesizing nanoporous refractory elements that are prone to oxidation. When VMoNbTaMg was heated under vacuum, a nanoporous structure was created by the sublimation of the highest vapor pressure element (Mg). X-ray photoelectron spectroscopy depth profiling indicated significantly less ligament oxidation during VTD as compared to traditional dealloying methods. Furthermore, np-RMPEAs exhibited outstanding stability against coarsening, retaining smaller ligaments (~25 nm) at elevated temperature (700 °C) for a prolonged period (48 h).

Das Gupta, Tibra (ORCID:0000000317103025)↗
NASA NTRS1974

The use of COD and plastic instability in crack propagation and arrest in shells

The initiation, growth, and possible arrest of fracture in cylindrical shells containing initial defects are dealt with. For those defects which may be approximated by a part-through semi-elliptic surface crack which is sufficiently shallow so that part of the net ligament in the plane of the crack is still elastic, the existing flat plate solution is modified to take into account the shell curvature effect as well as the effect of the thickness and the small scale plastic deformations. The problem of large defects is then considered under the assumptions that the defect may be approximated by a relatively deep meridional part-through surface crack and the net ligament through the shell wall is fully yielded. The results given are based on an 8th order bending theory of shallow shells using a conventional plastic strip model to account for the plastic deformations around the crack border.

Erdogan, F.↗
NASA NTRS1976

Crack propagation and arrest in pressurized containers

The problem of crack propagation and arrest in a finite volume cylindrical container filled with pressurized gas is considered. It is assumed that the cylinder contains a symmetrically located longitudinal part-through crack with a relatively small net ligament. The net ligament suddenly ruptures initiating the process of fracture propagation and depressurization in the cylinder. Thus the problem is a coupled gas dynamics and solid mechanics problem the exact formulation of which does not seem to be possible. The problem is reduced to a proper initial value problem by introducing a dynamic fracture criterion which relates the crack acceleration to the difference between a load factor and the corresponding strength parameter. The results indicate that generally in gas filled cylinders fracture arrest is not possible unless the material behaves in a ductile manner and the container is relatively long.

Erdogan, F.↗
NASA NTRS1976

Ductile fracture of cylindrical vessels containing a large flaw

The fracture process in pressurized cylindrical vessels containing a relatively large flaw is considered. The flaw is assumed to be a part-through or through meridional crack. The flaw geometry, the yield behavior of the material, and the internal pressure are assumed to be such that in the neighborhood of the flaw the cylinder wall undergoes large-scale plastic deformations. Thus, the problem falls outside the range of applicability of conventional brittle fracture theories. To study the problem, plasticity considerations are introduced into the shell theory through the assumptions of fully-yielded net ligaments using a plastic strip model. Then a ductile fracture criterion is developed which is based on the concept of net ligament plastic instability. A limited verification is attempted by comparing the theoretical predictions with some existing experimental results.

Erdogan, F.↗
NASA NTRS1977

Crack propagation and arrest in pressurized containers

The problem of crack propagation and arrest in a finite volume cylindrical container filled with pressurized gas is considered. It is assumed that the cylinder contains a symmetrically located longitudinal part-through crack with a relatively small net ligament. The net ligament suddenly ruptures initiating the process of fracture propagation and depressurization in the cylinder. The problem is formulated by making two major assumptions, namely, that the shell problem is quasi-static and the gas dynamics problem is one-dimensional. The problem is reduced to a proper initial value problem by introducing a dynamic fracture criterion which relates the crack acceleration to the difference between a load factor and the corresponding strength parameter. The main results are demonstrated by considering two examples, an aluminum cylinder which may behave in a quasi-brittle manner, and a steel cylinder which undergoes ductile fracture. The results indicate that generally in gas-filled cylinders fracture arrest is not possible unless the material behaves in a ductile manner and the container is relatively long.

Erdogan, F.↗