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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

An ℓ 0 ℓ 2 -norm regularized regression model for construction of robust cluster expansions in multicomponent systems

In this work we introduce ℓ 0 ℓ 2 -norm regularization and hierarchy constraints into linear regression for the construction of cluster expansions to describe configurational disorder in materials. The approach is implemented through mixed integer quadratic programming (MIQP). The ℓ 2 -norm regularization is used to suppress intrinsic data noise, while the ℓ 0 -norm is used to penalize the number of nonzero elements in the solution. The hierarchy relation between clusters imposes relevant physics and is naturally included by the MIQP paradigm. As such, sparseness and cluster hierarchy can be well optimized to obtain a robust, converged set of effective cluster interactions with improved physical meaning. We demonstrate the effectiveness of ℓ 0 ℓ 2 -norm regularization in two high-component disordered rocksalt cathode material systems, where we compare the cross-validation, convergence speed, and the reproduction of phase diagrams, voltage profiles, and Li-occupancy energies with those of the conventional ℓ 1 -norm regularized cluster expansion models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Cluster structure of 3⁢𝛼+𝑝 states in 13 N

Cluster states in 13 N are extremely difficult to measure due to the unavailability of 9 B +𝛼 elastic-scattering data. Using 𝛽-delayed charged-particle spectroscopy of 13 O, clustered states in 13 N can be populated and measured in the 3⁢𝛼+𝑝 decay channel. One-at-a-time implantation and decay of 13 O was performed with the Texas Active Target Time Projection Chamber. 149⁢𝛽⁢3⁢𝛼⁢𝑝 decay events were observed and the excitation function in 13 N reconstructed. Four previously unknown 𝛼-decaying excited states were observed in 13 N at an excitation energy of 11.3, 12.4, 13.1, and 13.7 MeV decaying via the 3⁢𝛼+𝑝 channel. These states are seen to have a [ 9 B ⁡(g.s) ⁢⨂𝛼/𝑝 + 12 C ⁡(0$^+_2$)], [ 9 B ⁡($\frac{1}{2}$ + )⁢ ⨂𝛼], [ 9 B ⁡($\frac{5}{2}$ + )⁢ ⨂𝛼], and [ 9 B⁡ ($\frac{5}{2}$) ⁢⨂𝛼] structure, respectively. A previously seen state at 11.8 MeV was also determined to have a [𝑝+ 12 C ⁡(g.s.)/𝑝+ 12 C ⁡(0$^+_2$)] structure. The overall magnitude of the clustering is not able to be extracted, however, due to the lack of a total width measurement. Clustered states in 13 N (with unknown magnitude) seem to persist from the addition of a proton to the highly 𝛼-clustered 12 C . Evidence of the $\frac{1}{2}$ + state in 9 B was also seen to be populated by decays from 13 N ★ .

Physics↗
DOE OSTI2021

Supporting data for climatic clustering and longitudinal analysis with impacts on food, bioenergy, and pandemics

This data supports the conclusions found in climatic clustering and longitudinal analysis with impacts on food, bioenergy, and pandemics. Included here are (i) the binarized geolocation vectors used for exhaustive vector comparisons, (ii) the resulting climatic networks, (iii) the results of applying Markov clustering to the climatic networks, and (iv) the results of applying Correlation-of-Correlations (cor-cor) to the climatic networks. The set of binarized geolocation vectors that are used as inputs for the Combinatorial Metrics library (CoMet) are of the form comet-UUUUUxVVVVV-XXXX-YYYY.shuffled.tped where UUUUU is the number of vectors, VVVVV is the length of each vector, XXXX is the starting year, and YYYY is the ending year. Each line corresponds to a geolocation vector of binary elements A (i.e., 0) and T (i.e., 1). The set of climatic networks that are used for downstream network analysis are of the form network-U-way-XXXX-YYYY.parsed.txt where U is the order of the comparison (2-way or 3-way), XXXX is the starting year, and YYYY is the ending year. Each line corresponds to an edge linking two geolocations (defined by latitude and longitude) with its corresponding edge weight (i.e., DUO score). The set of cluster results are of the form clusters-U-way-XXXX-YYYY-thresh-VVVV-inflation-WWW.clustered.txt where U is the order of the comparison (2-way or 3-way), XXXX is the starting year, YYYY is the ending year, VVVV is the similarity threshold, and WWW is the Markov clustering inflation rate. Each line corresponds to a single cluster and is composed of a number of corresponding geolocations (defined by latitude and longitude). The set of cor-cor results are of the form corcor-U-way-XXXX-YYYY.cumulative.txt where U is the order of the comparison (2-way or 3-way), XXXX is the starting year, and YYYY is the ending year. Each line corresponds to a single geolocation with it's corresponding cor-cor value.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Cluster Dynamics Simulations of Intra-Granular Fission Gas Bubble Size and Pressure Evolution in UO 2

Fission gases such as xenon (Xe) play a critical role in determining the behavior and response of nuclear fuel. Given that Xe has little solubility in UO 2 , it accumulates and forms bubbles, which significantly impact fuel performance. Intra- and inter-granular bubble nucleation and growth can lead to fuel swelling, and once bubbles interconnect at grain boundaries, fission gas can be released into the plenum. At low temperatures, limited uranium vacancy mobility can restrict swelling, therefore causing the bubbles to become highly pressurized. Consequently, this can induce micro-cracking, promote fission gas release (increasing the likelihood of cladding failure), and even lead to fuel pulverization under accident conditions such as a loss of coolant accident. As bubble evolution is strongly influenced by local temperature and fission rate, markedly different behavior occurs across the radial profile of the fuel pellet. Capturing the mechanisms that underpin bubble evolution is therefore important to predict these behaviors in the fuel. Previous models describing important mechanisms informed by lower length scale simulations have been developed under the NEAMS program. These can describe the evolution of a single bubble type (i.e., single value for radius and pressure) at each position in the pellet, for instance using the Centipede cluster dynamic code. However, in reality, a full distribution in bubble sizes and pressures exists within the microstructure at a given position in the pellet. To address this the cluster dynamics code Xolotl, which can predict Xe and vacancy phase space (i.e., bubble distributions) for intra-granular bubbles, has been used before. Prior work benchmarked the Xolotl code against the Centipede cluster dynamics code to ensure compatibility and to verify that mobile defect properties are adequately transferred between the two codes, along with some physics improvements. In this work, we go further by introducing a physics-based set of improvements that will allow us to accurately predict bubble size distributions and internal bubble pressures under representative UO 2 irradiation conditions. The improvements include (i) coupling bubble-defect reaction energies to a virial equation of state (EOS), (ii) including a bubble surface tension contribution, (iii) incorporating radiation-induced re-solution of Xe and vacancies, (iv) enabling pressure-driven dislocation loop punching through an effective emission of interstitial clusters informed by interstitial loop energetics, (v) accounting for radiation induced athermal diffusion of Xe, and (vi) implementing a Booth-type grain boundary sink representation for all mobile defects and defect clusters. After these modifications, we observe good agreement of Xolotl fission gas bubble size and concentration predictions with legacy experimental measurements. Additionally, it allows the distribution of Xe bubble pressures and radius to also be predicted and compared to data produced through the Advanced Fuels Campaign (AFC) program. Here, we have done this by running simulations under conditions similar to the AFC post-irradiation examination (PIE) samples irradiated at North Anna 2 light water reactor (LWR). Our results shows excellent agreement with these experimental measurements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Optimal Electrification Using Renewable Energies: Microgrid Installation Model with Combined Mixture k-Means Clustering Algorithm, Mixed Integer Linear Programming, and Onsset Method

Optimal planning and design of microgrids are priorities in the electrification of off-grid areas. Indeed, in one of the Sustainable Development Goals (SDG 7), the UN recommends universal access to electricity for all at the lowest cost. Several optimization methods with different strategies have been proposed in the literature as ways to achieve this goal. This paper proposes a microgrid installation and planning model based on a combination of several techniques. The programming language Python 3.10 was used in conjunction with machine learning techniques such as unsupervised learning based on K-means clustering and deterministic optimization methods based on mixed linear programming. These methods were complemented by the open-source spatial method for optimal electrification planning: onsset. Four levels of study were carried out. The first level consisted of simulating the model obtained with a cluster, which is considered based on the elbow and k-means clustering method as a case study. The second level involved sizing the microgrid with a capacity of 40 kW and optimizing all the resources available on site. The example of the different resources in the Togo case was considered. At the third level, the work consisted of proposing an optimal connection model for the microgrid based on voltage stability constraints and considering, above all, the capacity limit of the source substation. Finally, the fourth level involved a planning study of electrification strategies based mainly on microgrids according to the study scenario. The results of the first level of study enabled us to obtain an optimal location for the centroid of the cluster under consideration, according to the different load positions of this cluster. Then, the results of the second level of study were used to highlight the optimal resources obtained and proposed by the optimization model formulated based on the various technology costs, such as investment, maintenance, and operating costs, which were based on the technical limits of the various technologies. In these results, solar systems account for 80% of the maximum load considered, compared to 7.5% for wind systems and 12.5% for battery systems. Next, an optimal microgrid connection model was proposed based on the constraints of a voltage stability limit estimated to be 10% of the maximum voltage drop. The results obtained for the third level of study enabled us to present selective results for load nodes in relation to the source station node. Finally, the last results made it possible to plan electrification using different network technologies and systems in the short and long term. The case study of Togo was taken into account. The various results obtained from the different techniques provide the necessary leads for a feasibility study for optimal electrification of off-grid areas using microgrid systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Variability in the Massive Open Cluster NGC 1817 from K2: A Rich Population of Asteroseismic Red Clump, Eclipsing Binary, and Main-sequence Pulsating Stars

We present a survey of variable stars detected in K2 Campaign 13 within the massive intermediate-age (∼1 Gyr) open cluster NGC 1817. We identify a complete sample of 44 red clump stars in the cluster, and have measured asteroseismic quantities (ν {sub max} and/or Δν) for 29 of them. Five stars showed suppressed dipole modes, and the occurrence rates indicate that mode suppression is unaffected by evolution through core helium burning. A subset of the giants in NGC 1817 (and in the similarly aged cluster NGC 6811) have ν {sub max} and Δν values at or near the maximum observed for core helium–burning stars, indicating they have core masses near the minimum for fully nondegenerate helium ignition. Further asteroseismic study of these stars can constrain the minimum helium core mass in red clump stars and the physics that determines this limit. Two giant stars show photometric variations on timescales similar to previously measured spectroscopic orbits. Thirteen systems in the field show eclipses, but only five are probable cluster members. We identify 32 δ Sct pulsators, 27 γ Dor candidates, and 7 hybrids that are probable cluster members, with most being new detections. We used the ensemble properties of the δ Sct stars to identify stars with possible radial pulsation modes. Among the oddities we have uncovered are: an eccentric orbit for a short-period binary containing a δ Sct pulsating star; a rare subgiant within the Hertzsprung gap showing δ Sct pulsations; and two hot γ Dor pulsating star candidates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

The Dynamics of the Wide-angle Tailed (WAT) Galaxy Cluster A562

We present the first in-depth dynamical analysis of the archetypal wide-angle tailed (WAT) cluster A562. We have combined Gemini observations with archival data from the literature to form a sample of 76 cluster members and derived a mean redshift of 0.1088 ± 0.0004 and a velocity dispersion of 919 ± 116 km s{sup −1}. This relatively large velocity dispersion suggests either a very massive cluster (M {sub dyn} > 6.9 × 10{sup 14} M {sub ☉}) and/or a merger system. The merger model is supported by a non-Gaussian galaxy velocity distribution, an elongated spatial distribution of likely cluster members, and an elongated X-ray emitting gas. This scenario would generate the bulk flow motion of the intracluster medium that can exert enough ram pressure to bend the radio jets. Thus, our observations support the model in which a recent off-axis merger event produced the cluster wide conditions needed to shape the WAT in A562.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

The Stellar Content of H72.97-69.39, a Potential Super Star Cluster in the Making

Young massive clusters and super star clusters (SSCs) represent an extreme mode of star formation. Far-infrared imaging of the Magellanic Clouds has identified one potential embedded SSC, HSO BMHERICC J72.971176-69.391112 (H72.97-69.39 in short), in the southwest outskirts of the Large Magellanic Cloud. We present Gemini Flamingos 2 and GSAOI near-infrared imaging of a 3′ × 3′ region around H72.97-69.39 in order to characterize the stellar content of the cluster. The stellar content is probed down to 1.5 M {sub ⊙}. We find substantial dust extinction across the cluster region, extending up to A {sub K} of 3. Deeply embedded stars are associated with ALMA-detected molecular gas suggesting that star formation is ongoing. The high spatial resolution of the GSAOI data allows identification of the central massive object associated with the {sup 13}CO ALMA observations and detection of fainter low-mass stars around the H30α ALMA source. The morphology of the molecular gas and the nebulosity from adjacent star formation suggest they have interacted covering a region of several parsecs. The total stellar content in the cluster is estimated from the intermediate- and high-mass stellar content to be at least 10,000 M {sub ⊙}, less than R136 with up to 100,000 M {sub ⊙} within 4.7 pc radius, but places it in the regime of an SSC. Based on the extinction determination of individual stars we estimate a molecular gas mass in the vicinity of H72.97-69.39 of 6600 M {sub ⊙}, suggesting more star formation can be expected.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

RELICS: The Reionization Lensing Cluster Survey and the Brightest High- z Galaxies

Massive foreground galaxy clusters magnify and distort the light of objects behind them, permitting a view into both the extremely distant and intrinsically faint galaxy populations. Here we present the $z\sim 6\mbox{--}8$ candidate high-redshift galaxies from the Reionization Lensing Cluster Survey (RELICS), a Hubble and Spitzer Space Telescope survey of 41 massive galaxy clusters spanning an area of ≈200 arcmin2. These clusters were selected to be excellent lenses, and we find similar high-redshift sample sizes and magnitude distributions as the Cluster Lensing And Supernova survey with Hubble (CLASH). We discover 257, 57, and eight candidate galaxies at z ~ 6, 7, and 8 respectively, (322 in total). The observed (lensed) magnitudes of the z ~ 6 candidates are as bright as AB mag ~23, making them among the brightest known at these redshifts, comparable with discoveries from much wider, blank-field surveys. RELICS demonstrates the efficiency of using strong gravitational lenses to produce high-redshift samples in the epoch of reionization. These brightly observed galaxies are excellent targets for follow-up study with current and future observatories, including the James Webb Space Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Spatial and Kinematic Clustering of Stars in the Galactic Disk

The Galactic disk is expected to be spatially and kinematically clustered on many scales due to both star formation and the Galactic potential. In this work we calculate the spatial and kinematic two-point correlation functions (TPCF) using a sample of 1.7 × 10 6 stars with radial velocities from Gaia DR2. Clustering is detected on spatial scales of 1–300 pc and a velocity scale of 15 km s –1 . After removing bound structures, the data have a power-law index of γ ≈ –1 for 1 pc < Δr < 100 pc and γ ≲ –1.5 for Δr > 100 pc. We interpret these results with the aid of a star-by-star simulation of the Galaxy, in which stars are born in clusters orbiting in a realistic potential that includes spiral arms, a bar, and giant molecular clouds. We find that the simulation largely agrees with the observations at most spatial and kinematic scales. In detail, the TPCF in the simulation is shallower than the data at ≲20 pc scales, and steeper than the data at ≳30 pc. We also find a persistent clustering signal in the kinematic TPCF for the data at large Δv (>5 km s –1 ) that is not present in the simulations. We speculate that this mismatch between observations and simulations may be due to two processes: hierarchical star formation and transient spiral arms. Furthermore, we also predict that the addition of ages and metallicities measured with a precision of 50% and 0.05 dex, respectively, will enhance the clustering signal beyond current measurements.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Eridanus III and DELVE 1: Carbon-rich Primordial Star Clusters or the Smallest Dwarf Galaxies?

We present spectroscopy of the ultra-faint Milky Way satellites Eridanus III (Eri III) and DELVE 1. We identify eight member stars in each satellite and place non-constraining upper limits on their velocity and metallicity dispersions. The brightest star in each object is very metal-poor, at [Fe/H] = -3.1 for Eri III and [Fe/H] = -2.8 for DELVE 1. Both of these stars exhibit large overabundances of carbon and very low abundances of the neutron-capture elements Ba and Sr, and we classify them as CEMP-no stars. Because their metallicities are well below those of the Milky Way globular cluster population, and because no CEMP-no stars have been identified in globular clusters, these chemical abundances could suggest that Eri III and DELVE 1 are dwarf galaxies. On the other hand, the two systems have half-light radii of 8 pc and 6 pc, respectively, which is more compact than any known ultra-faint dwarfs. We conclude that Eri III and DELVE 1 are either the smallest dwarf galaxies yet discovered, or they are representatives of a new class of star clusters that underwent chemical evolution distinct from that of ordinary globular clusters. In the latter scenario, such objects are likely the most primordial star clusters surviving today. These possibilities can be distinguished by future measurements of carbon and/or iron abundances for larger samples of stars or improved stellar kinematics for the two systems.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

SZ–X-Ray Surface Brightness Fluctuations in the SPT-XMM Clusters

The hot plasma in galaxy clusters, the intracluster medium, is expected to be shaped by subsonic turbulent motions, which are key for heating, cooling, and transport mechanisms. The turbulent motions contribute to the nonthermal pressure, which, if not accounted for, consequently imparts a hydrostatic mass bias. Accessing information about turbulent motions is thus of major astrophysical and cosmological interest. Characteristics of turbulent motions can be indirectly accessed through surface brightness fluctuations. This study expands on our pilot investigations of surface brightness fluctuations in the Sunyaev–Zel’dovich and in X-ray data by examining, for the first time, a large sample of 60 clusters using both SPT-SZ and XMM-Newton data and spans the redshift range 0.2 < z < 1.5, thus constraining the respective pressure and density fluctuations within 0.6 R $_{500}$. We deem density fluctuations to be of sufficient quality for 32 clusters, finding mild correlations between the peak of the amplitude spectra of density fluctuations and various dynamical parameters. We infer turbulent velocities from density fluctuations with an average Mach number $\mathcal{M}$ 3D = 0.52 ± 0.14, in agreement with numerical simulations. For clusters with inferred turbulent Mach numbers from fluctuations in both pressure, $\mathcal{M}$ P , and density, $\mathcal{M}$ ρ , we find broad agreement between $\mathcal{M}$ P and $\mathcal{M}$ ρ . Our results suggest either a bimodal or a skewed unimodal Mach number distribution, with the majority of clusters being turbulence-dominated (subsonic) while the remainder are shock-dominated (supersonic).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

A bi-level spatiotemporal clustering approach and its application to drought extraction

We present a novel flexible bi-level spatiotemporal clustering algorithm to extract events based on their intensity and spatiotemporal structures. Our algorithm consists of using (i) a novel space-time k-means clustering to obtain spatiotemporally coherent intensity clusters, and (ii) a density-based spatial clustering of applications with noise (DBSCAN) to spatiotemporally section the intensity clusters into individual events. We discuss the development of the algorithm, the selection, tuning and meaning of the parameters within each step, as well as its validation. Finally, we apply the algorithm to a spatiotemporal drought index, standardized vapor pressure deficit drought index (SVDI), over the continental United States (US) from 1980–2021 and show that it captures historical drought events over the continental United States and their spatiotemporal extents.

17 WIND ENERGY↗
NASA NTRS2010

The Membership and Distance of the Open Cluster Collinder 419

The young open cluster Collinder 419 surrounds the massive O star, HD 193322, that is itself a remarkable multiple star system containing at least four components. Here we present a discussion of the cluster distance based upon new spectral classifications of the brighter members, UBV photometry, and an analysis of astrometric and photometric data from the third U. S. Naval Observatory CCD Astrograph Catalog and Two Micron All Sky Survey Catalog. We determine an average cluster reddening of E(B - V) = 0.37 +/-.05 mag and a cluster distance of 741 plus or minus 36 pc. The cluster probably contains some very young stars that may include a reddened M3 III star, IRAS 20161+4035.

COLLINDER↗
NASA NTRSDate not supplied

Investigation of the Impedance Characteristics of Perforate Sheet Hole Clustering Over an Array of Uniform Depth Chambers

A series of normal incidence impedance tube tests are conducted to characterize the facesheet impedance differences between uniformly distributed and nonuniformly tightly packed hole layout patterns, defined here as "hole clustering." These hole clustered samples contain the same number of holes as their uniformly distributed counterparts but target edge to edge distances between holes down to 0.01". Resonant frequency shifts between uniformly distributed and hole clustered samples are presented to demonstrate potential design benefits. Mass end correction differences between samples are also shown to better quantify differences in designs, including the effect of acoustic particle velocity. It is found that hole clustered facesheets over an array of uniform depth chambers can provide significant reactance increases at minimal expense to resistance, thereby lowering resonant frequencies. Additionally, moving these hole clustered layouts toward common chamber corners provides additional resonance shifts to lower frequencies.

acoustic liner impedance hole clustering perforate↗
DOE OSTI2025

Cluster Dynamics Modeling Needs for the Advanced Materials and Manufacturing Technologies Program

This milestone report aims to identify and assess the cluster dynamics (CD) modeling requirements within the Department of Energy's Office of Nuclear Energy (DOE-NE) Advanced Materials and Manufacturing Technologies (AMMT) program and to communicate these needs to the DOE-NE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. The goal is to ensure NEAMS is well-informed about the CD modeling requirements to support AMMT's mission of accelerating the development, qualification, demonstration, and deployment of advanced structural materials and manufacturing for nuclear energy applications. CD modeling is an essential tool for predicting the degradation of structural materials under irradiation, which is a key component of AMMT's accelerated qualification process. The AMMT program focuses on both additively manufactured and wrought structural alloys, such as laser powder-bed fusion 316H austenitic stainless steel, alloy 709, Haynes 244, and alloy 617. These materials require a generalized CD modeling framework to facilitate rapid model development and computational simulation. A flexible, generalized CD software, similar to the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element framework, would enable modeling of various cluster types, including defect clusters, defect-solute clusters, and multicomponent clusters, incorporating thermodynamics and kinetics parameters. Radiation effects, microstructural feature evolution, and multi-dimensional modeling are critical considerations for the CD model. The usability of the CD code should allow for easy modification and coupling with MOOSE-based simulations. Additionally, the software should adhere to Nuclear Quality Assurance-1 standards, include a testing suite for verification and validation, and be version-controlled within a national laboratory-managed Git repository. Benchmark problems are needed to assess code predictions and performance.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Colloidal Clusters and Networks Formed by Oppositely Charged Nanoparticles with Varying Stiffnesses

Colloidal clusters and gels are ubiquitous in science and technology. Particle softness has a strong effect on interparticle interactions; however, our understanding of the role of this factor in the formation of colloidal clusters and gels is only beginning to evolve. Here, we report the results of experimental and simulation studies of the impact of particle softness on the assembly of clusters and networks from mixtures of oppositely charged polymer nanoparticles (NPs). Experiments were performed below or above the polymer glass transition temperature, at which the interaction potential and adhesive forces between the NPs were significantly varied. Hard NPs assembled in fractal clusters that subsequently organized in a kinetically arrested colloidal gel, while soft NPs formed dense precipitating aggregates, due to the NP deformation and the decreased interparticle distance. Importantly, interactions of hard and soft NPs led to the formation of discrete precipitating NP aggregates at a relatively low volume fraction of soft NPs. A phenomenological model was developed for interactions of oppositely charged NPs with varying softnesses. Furthermore, the experimental results were in agreement with molecular dynamics simulations based on the model. This work provides insight on interparticle interactions before, during, and after the formation of hard–hard, hard–soft, and soft–soft contacts and has impact for numerous applications of reversible colloidal gels, including their use as inks for additive manufacturing.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Localized Flexoelectric Effect Around Ba(CuNb) Nano‐Clusters in Epitaxial BiFeO 3 Films for Enhancement of Electric and Multiferroic Properties

Abstract Room‐temperature (RT) multiferroic materials have received significant research attention for various potential applications; however, their properties are not suitable for real‐world implementation. In this study, a nano‐scale localized flexoelectric effect is introduced to enhance the RT multiferroic performance of epitaxial bismuth iron oxide (BiFeO 3 ; BFO) thin films by embedding 10 mol% Ba(Cu 1/3 Nb 2/3 )O 3 (BCN) nano‐clusters into the host BFO film, which originally has a rhombohedral crystal structure. By utilizing nano‐clustering, a large out‐of‐plane coherent strain is localized around the nano‐clusters, resulting in a highly strained tetragonality of the BFO structure; subsequently, the films exhibit peculiar types of domains and domain walls, such as nano‐scale rotational vortices and antiparallel dipole configurations. These peculiar domain structures, which originate from the localized flexoelectric effect at the nano‐scale, enable excellent ferroelectric, ferromagnetic, and RT multiferroic magnetoelectric coupling. This study reveals that the local variation in the localized flexoelectric field around nano‐clusters considerably impacts the formation of unusual domain‐wall structures. This suggests that the controlled introduction of nano‐clusters with different crystal structures is promising for achieving the desired multiferroic properties.

Song, Hyunseok↗