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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 19 records

Exploring Failure of Adhesively-Bonded Joints with Different Void Sizes at the Same Void Volume Fraction through A Micro-scale Numerical Modeling

This paper studied the effects of void sizes on the failure behavior of adhesively-bonded materials under global shear via micro-scale computational modeling. The numerical results indicate that large void sizes with increased distances between them at the same void volume fraction can alleviate the reduced joint strength of a weaker adherend-adhesive interface caused by interfacial voids. However, this is not the case for an adherend-adhesive interface with the interfacial tensile strength being sufficiently higher than the adhesive strength, showing the negligible effect on the joint strength due to various void sizes and the amount of interfacial voids. This preliminary investigation provides insightful information for scaling up the void size in the macro-scale computational modeling of joints, and enhances the understanding of the micro-mechanical adhesion in adherend-adhesive interfaces with different levels of bonding.

Qiao, Yao↗

Bridging the Void: Halogen Bonding and Aromatic Interactions to Program Luminescence and Electronic Properties of π -Conjugated Materials in the Solid State

π-Conjugated materials are promising candidates for emerging organic optoelectronic devices empowered by molecular design. The unsolved challenges of predicting and controlling their packing as solids, central to their properties and performance, currently limits their practical application. As noncovalent interactions drive packing, control over such interactions are critical to bridging from chemical structure to functional properties. In molecular crystals, halogen bonding and interactions of aromatic rings have emerged as versatile tools for noncovalent control with tailored luminescence and electronic properties. Here, we describe how the interplay of these directional and tunable interactions can engineer properties, including stimuli-responsive behavior. Specifically, halogen bonding can provide robust designs for directing 2D molecular assembly, whereas the intentional interactions of aromatic rings can yield metastable, switchable packing modes, as well as programmed stacking between layers of chromophores. Examples, herein, demonstrate clear relationships between assembly by design and resulting solid-state properties, and strategies presented offer guidance for future designs of π-conjugated molecular materials using specific aromatic interactions and halogen bonding.

36 MATERIALS SCIENCE↗

Impact of position and density of nanoscale voids on fracture initiation in iron from phase field fracture simulation

Understanding the impact of these bubbles on crack propagation, like that of helium bubble-induced cracking in irradiated materials is incredibly complex. A useful first study towards understanding bubble effects on fracture is to examine how voids impact fracture first. In this work, we used phase-field fracture simulations to examine the influence of voids and their distribution on Mode I fracture in Fe. Assuming brittle fracture, two simulation configurations were considered: (1) nanoscale systems with one or two voids, and (2) nanoscale systems with an experimentally relevant distribution of voids, with up to 20% void area. Results from simulations with one and two voids showed that voids within 10 nm of a crack tip reduce the stress required for crack growth, with the magnitude of reduction depending on void-to-crack orientation. Comparisons with linear elastic fracture mechanics and evaluation of one versus two void systems revealed deviations from linear superposition, implying complex interactions between void and crack tip stress fields. In multi-void simulations, as void sizes increase, the nearest void to the crack tip exerts a greater influence on fracture stress than the overall porosity. Furthermore this study provides valuable insights into the relationship between void size and concentration, and the stress necessary for crack growth, marking a step forward towards understanding He bubble-induced fracture in ferrous materials.

36 MATERIALS SCIENCE↗

The Impact of Void-finding Algorithms on Galaxy Classification

We explore how the definition of a void influences the conclusions drawn about the impact of the void environment on galactic properties using two void-finding algorithms in the Void Analysis Software Toolkit: Voronoi Voids (V 2 ), a Python implementation of ZOnes Bordering On Voidness (ZOBOV); and VoidFinder, an algorithm that grows and merges spherical void regions. Using the Sloan Digital Sky Survey Data Release 7, we find that galaxies found in VoidFinder voids tend to be bluer and fainter and to have higher (specific) star formation rates than galaxies in denser regions. Conversely, galaxies found in V 2 voids show less significant differences when compared to galaxies in denser regions, less consistent with the large-scale environmental effects on galaxy properties expected from both simulations and previous observations. These results align with previous simulation results that show V 2 -identified voids “leak” into the dense walls between voids because their boundaries extend up to the density maxima in the walls. As a result, when using ZOBOV-based void-finders, galaxies likely to be part of wall regions are instead classified as void galaxies, a misclassification that can be critical to our understanding of galaxy evolution.

cosmic web↗

On the role of geometrically necessary dislocations in void formation and growth in response to shock loading conditions in wrought and additively manufactured Ta

This study investigates the role of geometrically necessary dislocations (GNDs) and microstructure on void nucleation and growth in wrought and additively manufactured (AM) tantalum subjected to high-strain rate loading. Multi-modal 3D data was collected using TriBeam tomography to calculate GND densities and their spatial relationship to voids. A microstructural comparison between the wrought and AM samples identified distinct void shapes and locations, with intragranular voids and more spherical voids frequently observed in the AM dataset. Results indicate that voids preferentially form at both high-angle grain boundaries and low-angle subgrain boundaries, the latter of which are frequently observed in the AM material. Through a radial distribution analysis of all voids in the datasets, significant GND localization to near-void-surface regions was observed in both samples. 3D crystal plasticity simulations were employed to extend the experimental observations, revealing higher void growth rates in [111] oriented grains when compared to [001] grains. The simulations also suggest that GNDs can be generated as part of the void growth process, with more GND accumulation for growth in a [111] grain than a [001] grain. These findings provide valuable insights into the links between nanoscale void nucleation, mesoscale void growth, and microstructural effects in dynamically loaded tantalum.

36 MATERIALS SCIENCE↗

A Comparison of Void-finding Algorithms Using Crossing Numbers

We study how well void-finding algorithms identify cosmic void regions and whether we can quantitatively and qualitatively compare the voids they find with dynamical information from the underlying matter distribution. Using the ORIGAMI algorithm to determine the number of dimensions along which dark matter particles have undergone shell crossing (crossing number) in N-body simulations from the AbacusSummit simulation suite, we identify dark matter particles that have undergone no shell crossing as belonging to voids. We then find voids in the corresponding halo distribution using two different void-finding algorithms: VoidFinder and V 2 , a ZOBOV-based algorithm. The resulting void catalogs are compared to the distribution of dark matter particles to examine how their crossing numbers depend on void proximity. While both algorithms' voids have a similar distribution of crossing numbers near their centers, we find that beyond 0.25 times the effective void radius, voids found by VoidFinder exhibit a stronger preference for particles with low crossing numbers than those found by V 2 . We examine two possible methods of mitigating this difference in efficacy between the algorithms. While we are able to partially mitigate the ineffectiveness of V 2 by using the distance from the void edge as a measure of centrality, we conclude that VoidFinder more reliably identifies dynamically distinct regions of low crossing number.

79 ASTRONOMY AND ASTROPHYSICS↗

Modeling shock-induced void collapse in single-crystal Ta systems at the mesoscales

Understanding the role of microstructural heterogeneities on the shock wave propagation and defect evolution behavior is essential to predicting the dynamic response of metals. Heterogeneities, such as voids, provide challenges to understanding the wave propagation behavior as the shock-void interaction can collapse the void and result in large plastic strains and significant heating (hot spot formation) in the metal. Accurate modeling of this phenomenon requires predicting the void collapse mechanisms and the related heat generation and dissipation mechanisms (hotspot formation) that determine the microstructure evolution. While molecular dynamics (MD) simulations can model the void collapse behavior, the time/length scale capabilities pose a challenge to connect with continuum models or the experimental scales. Here, this study presents the capability of the newly developed quasi-coarse-grained dynamics (QCGD) method that extends the MD simulations to larger system sizes and longer times to model this phenomenon. This study uses QCGD simulations to investigate the mechanisms of shock wave interactions with pre-existing voids in single-crystal Ta microstructures for variations in shock pressures, void size, and loading orientations. For a given orientation, the plasticity contributions and rates of void collapse are observed to vary with shock pressures and void size. The larger void sizes and higher pressures result in increased temperatures (hot spots) and faster void collapse rates and unravel the variations in the plasticity contributions. In addition, QCGD simulations investigate the post-collapse microstructure evolution as a release wave travels through the hot spot region. The simulations reveal that the reduction in temperatures due to heat dissipation initiates the dynamic recrystallization behavior in the hotspot regions.

36 MATERIALS SCIENCE↗

Analysis of Approximations in Modeling of BWR Bundle Void Distributions

In boiling water reactors, complex heterogeneous bundle designs, control blades adjacent to the corner of bundles, and the presence of boiling can lead to complex internal void distributions. A few approximations exist to model these void distributions. They could be modeled using a 1D axial solver in which each axial node is assumed to be at an average void, or each pin cell could be modeled with its own void concentration. In the latter case, the void could be discretized in pin-centered or coolant-centered channels. The goal of this project was to quantify the effect of using the different approximations for modeling internal void distributions on neutronics calculations. Using 3D void distributions calculated with CTF, Monte Carlo Neutral Particle (MCNP) transport code models were created for GE-9 and GE-14 lattices. For each model, the internal void distribution from CTF at a given axial node was selected, and a lattice calculation was carried out with MCNP. Comparisons between models using a lattice-averaged void, or using a void distribution in coolant-centered channels, showed large differences in reactivity which in some cases were well above 1,000 pcm, and it also showed differences in normalized fission rates greater than 20%. It was also found that using a lattice average void can lead to a significant difference in the estimation of the worth of a control blade. The differences found when comparing results from models using pin-centered and coolant-centered channels were up to 200 pcm in reactivity and up to 1.4% in the normalized fission rates. In addition to these two sets of comparisons, MCNP models were set up so that each subchannel had a saturated liquid component around the fuel pins and a saturated vapor component in the center to approximate annular flow. In comparison to the models using coolant-centered subchannels, up to 1–3% differences in normalized fission rates could be found.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Effect of Carbon on Void Nucleation in Iron

The study reports the significance of carbon presence in affecting void nucleation in Fe. Without carbon, void nucleation rates decrease gradually at high temperatures but remain significantly high and almost saturated at low temperatures. With carbon present, even at 1 atomic parts per million, void nucleation rates show a low-temperature cutoff. With higher carbon levels, the nucleation temperature window becomes narrower, the maximum nucleation rate becomes lower, and the temperature of maximum void nucleation shifts to a higher temperature. Fundamentally, this is caused by the change in effective vacancy diffusivity due to the formation of carbon-vacancy complexes. The high sensitivity of void nucleation to carbon comes from the high sensitivity of void nucleation to the vacancy arrival rate in a void. The void nucleation is calculated by first obtaining the effective vacancy diffusivity considering the carbon effect, then calculating the defect concentration and defect flux change considering both carbon effects and pre-existing dislocations, and finally calculating the void nucleation rate based on the recently corrected homogeneous void nucleation theory. The study is important not only in the fundamental understanding of impurity effects in ion/neutron irradiation but also in alloy engineering for judiciously introducing impurities to increase swelling resistance, as well as in the development of simulation and modeling methodologies applicable to other metals.

36 MATERIALS SCIENCE↗

Role of grain boundary crystallography on void growth in FCC metals

The growth of an isolated spherical void at and near a grain boundary or a triple junction is studied by means of full-field crystal plasticity simulations with explicit representation of the void. To examine the fundamental aspects of void/grain boundary interactions in these cases, a three-dimensional large-strain elasto-viscoplastic fast-Fourier transform (LS-EVP-FFT) model with axisymmetric tensile periodic boundary conditions was developed. We employ this model to reveal the role of crystallography (grain orientations, grain boundary misorientation and inclination angle with respect to the largest component of the applied stress) and type of loading on void growth. It was found that grain orientation was the primary crystallographic feature governing void growth in strain-rate controlled simulations. For strains small enough to not significantly alter the local geometry, the overall growth of the void in bicrystal boundaries was not strongly affected by grain boundary inclination angle. The relative amount of void growth experienced within each grain in a bicrystal or tri-crystal was strongly dependent on the grain boundary inclination angle. We found a subset of orientations that exhibit faster void growth in bicrystal boundaries than inside the constituent single crystals. Last, we show that when placed primarily in one grain but near the grain boundary, void growth was similar to void growth when placed at the grain boundary. Furthermore, the growing void remained in the original grain and did not grow into the other grain, regardless of crystallographic character.

36 MATERIALS SCIENCE↗

Quantifying precursors to void nucleation and coalescence in aluminum

Ductile rupture is a common failure mode for engineering alloys. It is generally comprised of three mechanisms: void nucleation at secondary particles, void growth, and coalescence of voids. Conventional models for ductile rupture have limited precision for predicting macroscopic failure. This is partially because they have been corroborated using ex-situ observations of these three mechanisms and calibrated by macroscopic strain or stress metrics. In this study, in-situ high-energy X-ray characterization was conducted to correlate sites of void nucleation via particle cracking and sites of void growth with grain-scale metrics. Here it is shown that particle cracking is not predicated by elevated stress metrics, which disagrees with classical models. Instead, particle cracking tended to occur for the largest, least spherical particles. This trend persisted on the aggregate-scale and within individual neighborhoods around particles. Furthermore, an Eshelby analysis illuminated a statistically significant increase in maximum principal stress within a cracked particle, compared to an uncracked particle. In-situ observations also revealed two separate examples of intragranular void growth comprised of flat, crack-like features that grew showing alignment with slip systems of the highest resolved shear stress. Post-mortem fractography revealed a secondary population of dimples on these crack-like features, implying that void sheeting may be occurring during this crack-like void growth. Furthermore, these in-situ observations imply that classical models for void growth, that assume a homogenous medium, should be extended to account for the anisotropic grain-level behavior to correctly capture distinct features of void nucleation and growth.

Al-2219↗

The imprint of cosmic voids from the DESI Legacy Survey DR9 Luminous Red Galaxies in the Planck 2018 lensing map through spectroscopically calibrated mocks

The cross-correlation of cosmic voids with the lensing convergence (κ) map of the Cosmic Microwave Background (CMB) fluctuations provides a powerful tool to refine our understanding of the current cosmological model. However, several studies have reported a moderate tension (up to ∼2σ) between the lensing imprint of cosmic voids on the observed CMB and the ΛCDM signal predicted by simulations. To address this “lensing-is-low” tension and to obtain new, precise measurements of the signal, we exploit the large DESI Legacy Survey Luminous Red Galaxy (LRG) data set, covering approximately 19 500 deg 2 of the sky and including about 10 million LRGs at z < 1.05. Our ΛCDM template was created using the Buzzard mocks, which we specifically calibrated to match the clustering properties of the observed galaxy sample by exploiting more than one million DESI spectra. We identified our catalogs of 3D voids in the range 0.35 < z < 0.95 and cross-correlated them through a stacking methodology, dividing the sample into bins according to the redshift and λv values of the voids. For the full void sample, we report a 14σ detection of the lensing signal, with A κ = 1.016 ± 0.054, which increases to 17σ when considering the void-in-void (A κ = 0.944 ± 0.064) and the void-in-cloud (A κ = 0.975 ± 0.060) populations individually, the highest detection significance for studies of this kind. We observe a full agreement between observations and ΛCDM mocks across all redshift bins, sky regions, and void populations considered. In addition to these findings, our analysis highlights the importance of accurately matching sparseness and redshift error distributions between mocks and observations, as well as the role of λ v in enhancing the signal-to-noise ratio through void population discrimination.

79 ASTRONOMY AND ASTROPHYSICS↗

Effect of void positioning on the detonation sensitivity of a heterogeneous energetic material

We show although it is well-established that voids profoundly influence the initiation and reaction behaviors of heterogeneous energetic materials such as polymer-bonded explosives (PBX) and propellants, there has been little study of how void location in different constituents in the microstructures of such materials affect the macroscale behavior. Here, we use three-dimensional (3D) mesoscale simulations to study how void placement within the reactive grains versus the polymer binder influences the shock-to-detonation transition (SDT) in a polymer-bonded explosive. The material studied here has a microstructure comprised of 75% PETN (pentaerythritol tetranitrate) grains and 25% HTPB (hydroxyl-terminated polybutadiene) polymer binder by volume. Porosities up to 10% in the form of spherical voids distributed in both the grains and polymer are considered. An Arrhenius reactive burn relation is used to model the chemical kinetics of the PETN grains under shock loading, thereby resolving the heterogeneous detonation behavior of the PBX. The influence of void location on the shock initiation sensitivity of the material is quantitatively ranked by comparing the predicted run distance to detonation (RDD) for each sample. The analysis includes inherent quantification of uncertainties arising from the stochastic variations in the microstructure morphologies and void distributions by using statistically equivalent microstructure sample sets (SEMSS), leading to probabilistic formulations for the RDD as a function of shock pressure. The calculations reveal that the location of voids in the composite microstructure significantly affects the RDD. Specifically, voids exclusively within the grains cause the PBX to be more sensitive (having shorter RDD) than voids in the polymer binder. Unique probabilistic relationships are derived to map the probability of observing RDD for each void location material case, allowing for prediction of initiation behavior anywhere in the shock pressure – RDD space. These findings agree with trends reported in the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The impact of void environment on AGN

ABSTRACT We study the population of active galaxies in void environment in the Sloan Digital Sky Survey. We use optical spectroscopic information to analyse characteristics of the emission lines of galaxies, accomplished by WHAN and BPT diagrams. Also, we study Wide-field Infrared Survey Explorer(WISE) mid-IR colours to assess active galactic nucleus (AGN) activity. We investigate these different AGN classification schemes, both optical and mid-IR, and their dependence on the spatial location with respect to the void centres. To this end, we define three regions: void, the spherical region defined by voidcentric distance relative to void radius (distance/rvoid) smaller than 0.8, comprising overdensities lesser than −0.9, an intermediate/transition shell region (namely, void-wall) 0.8 < distance/rvoid < 1.2, and a region sufficiently distant from voids, the field: distance/rvoid > 2. We find statistical evidence for a larger fraction of AGN and star-forming galaxies in the void region, regardless of the classification scheme addressed (either BPT, WHAN, or WISE). Moreover, we obtain a significantly stronger nuclear activity in voids compared to the field. We find an unusually large fraction of the most massive black holes undergoing strong accretion when their host galaxies reside in voids. Our results suggest a strong influence of the void environment on AGN mechanisms associated with galaxy evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

The completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey: cosmological implications from multitracer BAO analysis with galaxies and voids

We construct cosmic void catalogues with the dive void finder upon SDSS BOSS DR12 and eBOSS DR16 galaxy samples with BAO reconstruction, and perform a joint BAO analysis using different types of galaxies and the corresponding voids. The BAO peak is evident for the galaxy–galaxy, galaxy–void, and void–void correlation functions of all data sets, including the ones cross-correlating LRG and ELG samples. Two multitracer BAO fitting schemes are tested, one combining the galaxy and void correlation functions with a weight applied to voids, and the other using a single BAO dilation parameter for all clustering measurements. Both methods produce consistent results with mock catalogues, and on average ~10 per cent improvements of the BAO statistical uncertainties are observed for all samples, compared to the results from galaxies alone. By combining the clustering of galaxies and voids, the uncertainties of BAO measurements from the SDSS data are reduced by 5–15 per cent, yielding 0.9 per cent, 0.8 per cent, 1.1 per cent, 2.3 per cent, and 2.9 per cent constraints on the distance $D_{_{\rm V}}(z)$, at effective redshifts 0.38, 0.51, 0.70, 0.77, and 0.85, respectively. When combined with BAO measurements from SDSS MGS, QSO, and Lyα samples, as well as the BBN results, we obtain $H_0 = 67.58 \pm 0.91\, {\rm km}\, {\rm s}^{-1}\, {\rm Mpc}^{-1}$, Ω m = 0.290 ± 0.015, and $\Omega _\Lambda h^2 = 0.3241 \pm 0.0079$ in the flat-ΛCDM framework, where the 1σ uncertainties are around 6 per cent, 6 per cent, and 17 per cent smaller respectively, compared to constraints from the corresponding anisotropic BAO measurements without voids and LRG–ELG cross-correlations.

79 ASTRONOMY AND ASTROPHYSICS↗

Local and large-scale effects on the astrophysics of void galaxies

ABSTRACT Galaxies in cosmic voids have been reported with properties related to a delayed evolution compared to the rest of the Universe. These characteristics reflect the interaction of galaxies with the environment. However, it is not clear the degree of influence of the large-scale structure on the properties of void galaxies or if these are only influenced by the low local density around them typical of these regions. In this article, we identified cosmic voids in the SDSS-DR16 and studied the g–r colour, star formation rate, and concentration of galaxies. We identified galaxy groups to characterize the local environment and studied the properties of galaxies as a function of total and stellar masses, separately analysing those in voids and the general sample. Our results show that galaxies that inhabit haloes of a given mass (below ${\sim}10^{13.5}{\rm M}_{\odot }$), are bluer, have a higher star formation rate and are less concentrated when the host halo is inside voids compared to other regions. For larger halo masses, the trend disappears. We also analyse whether the properties of galaxies are sensitive to the type of voids that inhabit. This is done by separating voids embedded in overdense regions (S-type) from those that asymptotically converge to the average density of the Universe (R-type). We found that galaxies in R-type voids are bluer, with higher SFR and less concentration than in S-type voids. Our results indicate some degree of correlation of galaxy properties with the large-scale environment provided by voids, suggesting possible second-order mechanisms in galaxy evolution.

Astronomy & Astrophysics↗