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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Characterize the Rings in Protoplanetary Disks Formed by an Eccentric Instability [Slides]

Typical long-term time evolution of gas surface density in a disk undergoing eccentric mode instability (EMI). In a disk with no initial substructures or external perturbers, EMI generates a growing one arm spiral (top right). After EMI saturates, the disk continues to evolve with a long-lived coherent eccentric pattern. If the disk has strong wave damping, the disk is then left with circular rings. Synthesized dust continuum images of some EMI simulations from this IC project show some characteristics similar to the actual PPD images.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Solute effects upon dislocation motion and recovery in Mg alloys (Final Report)

The objective the research was to develop a firmer understanding of the interactions between substitutional solute atoms and dislocations within Mg alloys. These interactions govern the absolute and relative mobilities of various types of dislocations in Mg (e.g., basal < a>, non-basal < a>, and pyramidal < c+a>). Furthermore, they have an impact on dislocation recovery processes (e.g., cross-glide, climb, rearrangement, and annihilation). Ultimately, solute-dislocation interactions strongly impact a) strain hardening, b) strain rate sensitivity, c) plastic anisotropy of textured polycrystals, d) texture evolution, e) dislocation substructures evolution, and even f) recrystallization behavior. It is broadly known that Mg alloys exhibit poor low temperature formability. Since formability is largely governed by properties (a) – (c) in this list, it is critical to develop a better understanding of solute-dislocation interactions, if one hopes to improve the situation. While the theory of static solute strengthening is well developed, especially for alloys with face centered cubic (FCC) crystal structures, there are outstanding questions related to applications to hexagonal close packed (HCP) crystal structures and dynamic strain aging (DSA) in materials of various structures. DSA has far-reaching implications for metal formability and, in the case of Mg alloys, appears to correlate with the so-called rare-earth (RE) texture which has been shown to benefit formability. The Portevin-Le Chatelier (PLC) effect, and associated negative strain rate sensitivity, occur at higher temperatures (>100℃) in Mg alloys as compared with similar Al alloys, even though they have similar melting points and solute diffusivities. Our preliminary research has shown that modern, physics-based models of DSA can be tuned to describe the behavior of Mg alloys if a rather higher activation enthalpy is assumed for cross-core diffusivity. While this partially explains the delay in DSA to higher temperatures, it is also hypothesized that this delay is due in part to the intrinsically more thermally activated (rate sensitive) nature of non-basal < a> dislocation motion which is required for macroscopic flow of Mg alloys, whereas octahedral slip in many FCC metals like aluminum is essentially athermal at room temperature. It was originally proposed to employ a combination of in-situ diffraction-based experimental characterization to validate existing theory. It was envisioned to perform in-situ transmission electron microscopy (TEM) to assess individual dislocation behavior and in-situ high-energy X-ray diffraction (HEXRD) techniques which were showing great promise for elucidating collective dislocation behavior, 2 including recovery, especially if the contributions to various forms of diffraction peak broadening (𝜂𝜂,𝜔𝜔,and 2𝜃𝜃) can be effectively integrated. Finally, it was envisioned to perform discrete dislocation dynamics (DDD) modeling approaches to aide in the interpretation of both TEM and HEXRD experiments. In the end, mechanical tests were performed on more complex Mg alloys which exhibited evidence of dynamic strain aging, and this led to the establishment of another project. Mechanical test data obtained at McMaster University served as the basis of an assessment of the applicability of Bazinski’s “stress equivalence” theory of solute strengthening to polycrystalline alloys of Mg. Although we did not succeed in applying the approach to Mg alloys, we did develop expertise with the HEXRD approach using a BCC, β-Ti alloy and demonstrated numerous new capabilities that may be applied to any polycrystalline material in collaboration with researchers at CHESS and around the world: (1) assessment of details of the elastoplastic transition (yielding) using a combination of HEXRD and full-field polycrystal plasticity modeling, (2) the first-ever experimental observation of strong stress rotation within the individual grains of a polycrystalline material, and (3) a comprehensive analysis of the grain-level dislocation density evolution based upon diffraction peak broadening along 𝜂𝜂,𝜔𝜔,and 2𝜃𝜃 directions. This final aspect allowed us to confirm that dislocations were gliding on multiple plane types and not restricted to {110} type planes, and it also provided clues as to why some grains were unloading during straining, with surprising implications for our understanding of the effects of geometrically necessary dislocations (GNDs). Finally, graduate student, Mohammed Shabana, developed a MATLAB code which confirmed the conclusions of Prof. Catalin Picu (Rensallear Polytechnic Institute, RPI) regarding the effect of solute-trapped, forest dislocations on the breaking stress of Lomer lock junctions in FCC metal alloys. He applied the same anisotropic line-tension model to a variety of dislocation junction configurations and found an inconsistency in the widely cited results of Dupuy and Fivel regarding the Hirth Lock, and he outlined an approach to extend these finding to HCP Mg alloys that we are still pursuing with discretionary fundings at UVA.

36 MATERIALS SCIENCE↗
DOE OSTI2023

43-0434 Bridge Inspection Report 2022

This report covers the inspection findings for the Routine Inspection of the Omega Bridge conducted on September 23-25, 2022 and the Fracture Critical Member (FCM) Inspection conducted on June 26-27, 2021. Note that due to complications with the under-bridge access unit, portions of the Routine Inspection and the entire FCM Inspection could not be completed in 2022. As a result, the superstructure condition reported herein is based on the 2021 inspection whereas the deck and substructure conditions are based on the 2022 inspection. The superstructure condition will be updated when the inspection is completed in 2023. The inspections were completed according to the standards referenced in EXHIBIT “D” SCOPE OF WORK AND TECHNICAL SPECIFICATIONS including the National Bridge Inspection Standards (23 CFR Part 650, dated 12/14/2004) and other FHWA, NMDOT, and AASHTO codes and standards.

42 ENGINEERING↗
DOE OSTI2024

Discovering Elusive Dynamics Across Frontiers (Final Technical Report)

Profound puzzles, such as the nature of dark matter, the origins of the electroweak scale, the mechanism behind the small neutrino mass, and the strong CP problem, suggested new physics beyond the Standard Model and drove the particle physics program in search of the associated new particles. Despite extensive searches, conventional realizations of new physics have not yet provided conclusive evidence. This raised the serious possibility that new dynamics might be more elusive, perhaps due to a richer gauge and matter structure than previously considered. Notably, the existence of dark matter and advancements in understanding the naturalness problem urged exploration into sectors with complex gauge and matter structures. Through experiments like the LHC, DUNE, and small-scale experiments, the robust US HEP program played a critical role in pursuing these well-motivated but under-explored scenarios for new physics. I explored these physics opportunities in depth, focusing on novel searches and significant improvements in parameter space coverage. The elusive dynamics revealed rich information about the underlying theory and were essential in identifying observable opportunities. Understanding the observable consequences required a deep comprehension of the theory, which I also developed. The proposal included essential components aimed at coherently increasing our knowledge in well-motivated elusive dynamics models. Through research on high-quality axions, composite neutrinos, the Higgs boson as a portal to hidden strong dynamics, and new scalar potentials to generate alternative electroweak phase transitions, I focused on identifying new signatures and parameter regions in plausible elusive dynamics models. The exploration emphasized generic possibilities motivated by broad classes of elusive dynamics models. These signatures were not effectively probed previously due to various challenges such as triggering, background suppression, or experimental design. My research involved close interaction with experimental colleagues to overcome these difficulties, leveraging new theoretical and experimental possibilities. These efforts included identifying new observables such as timing information and substructure in calorimetries, new multiple-hit techniques, new scattering events, and new resonance searches in liquid argon detectors. This work created a positive feedback loop: theory and experimental work inspired each other, revealing new exciting opportunities that supported both programs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Interpreting and Accelerating Transformers for Jet Tagging

Attention-based transformers are ubiquitous in machine learning applications from natural language processing to computer vision. In high energy physics, one central application is to classify collimated particle showers in colliders based on the particle of origin, known as jet tagging. In this work, we study the interpretatbility and prospects for acceleration of Particle Transformer (ParT), a state-of-the-art model, leverages particle-level attention to improve jet-tagging performance. We analyzing ParT's attention maps and particle-pair correlations in the eta-phi plane, revealing intriguing features, such as a binary attention pattern that identifies critical substructure in jets. These insights enhance our understanding of the model's internal workings and learning process and hint at ways to improve its efficiency. Along these lines, we also explore low-rank attention, attention alternatives, and dynamic quantization to accelerate transformers for jet tagging. With quantization, we achieve a 50% reduction in model size and a 10% increase in inference speed without compromising accuracy. These combined efforts enhance both the performance and the interpretability of transformers in high-energy physics, opening avenues for more efficient and physics-driven model designs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Feasibility Assessment and Preliminary Design of a Low Cost, Modular Concrete, Suction Pile Support Structure and Heavy Lift Vessel Alternative (CRADA Final Report)

The project goal is to prove the feasibility and advance the development of a low-cost, modular concrete suction pile support structure and heavy lift vessel alternative for offshore wind deployment in the United States. These technology developments are critical to alleviating specific challenges faced by the United States market, including a limited number of Jones Act-compliant installation vessels and environmental restrictions associated with using conventional offshore wind foundations. The first phase of this project is a conceptual design and feasibility assessment of modular concrete substructure options for NREL’s 15 MW reference turbine.

17 WIND ENERGY↗
DOE OSTI2025

Assess Floating Offshore Wind Energy Costs and Performance - FLOWIN Voucher: Cooperative Research and Development Final Report, CRADA Number CRD-23-23792

In support of the FLOWIN Phase One Winner Voucher Utilization, NREL will assist with assessing floating offshore wind energy installation logistics and costs for several sites using the floating substructure design developed by the University of Maine. This will help inform understanding of floating offshore wind energy technology cost drivers.

17 WIND ENERGY↗
DOE OSTI2025

Floating Offshore Wind US Manufacturing and Commercialization: Cooperative Research and Development (Final Report)

NREL assessed the supply chain and workforce considerations for the OCG-Wind floater technology, a floating semi-submersible offshore wind substructure, as well sharing vessel needs to inform their installation strategy. This technical assistance was in support of the FLoating Offshore Wind ReadINess (FLOWIN) Prize Phase 2 submission. NREL provided an assessment of domestic supplier capabilities for the main components of their floating offshore wind platform design and analyzed US regional and national supply chain constraints and gaps. Thirteen interviews with companies including steel distributors, forges, foundries, ports, large component fabricators, subcomponent fabricators, and secondary suppliers provided key insights such as 1) assembly ports are the key infrastructure barrier standing in the way of unlocking the domestic assembly and component fabrication for steel-based FOW platforms, 2) domestic steel producers can supply the types and quantities of steel necessary for FOW platforms, and 3) coordination between stakeholders will be a vital part of successfully developing the supply chain and infrastructure needed to domestically produce FOW platforms. In the workforce assessment, NREL documented a step-by-step approach to conduct a place-based assessment of the foundational workforce consideration for recruiting, upskilling, and retaining a workforce, such as supportive local and state policy, nearby education and training programs, and existing relevant industry. This approach was applied to Tacoma, Washington. Tacoma was indicated to have the potential be a successful location for fabrication and assembly of floating offshore wind energy in terms of workforce development. To share data on vessel requirements to install the OCG-Wind floater, NREL compiled resources that help answer the questions related to anchor handling tug vessels, shared a database of cable laying vessels, and answered questions on complying with the Jones Act.

17 WIND ENERGY↗
DOE OSTI2024

A section 110 evaluation of the huron king test chamber, area 3, nevada national security site, nye county, nevada

The U.S. Department of Energy, National Nuclear Security Administration Nevada Field Office tasked Desert Research Institute (DRI) with the identification and evaluation of the Huron King Test Chamber as part of their cultural resources program obligations under Section 110 of the National Historic Preservation Act. The Huron King nuclear test was a vertical line-of-sight weapons effects test that took place in Area 3 on June 24, 1980. Unique to this event was a specially designed aboveground test chamber that held a model defense communications satellite in a vacuum tank meant to replicate the space environment. Sponsored by the Defense Nuclear Agency, the purpose of the experiment was to understand the response of the satellite and its materials and equipment to an electromagnetic pulse and attendant radiation. Between July and August 2022, DRI conducted an archival review on the Huron King experiment and its associated test chamber. Subsequently, pedestrian fieldwork was undertaken at the Huron King Test Chamber by DRI on September 29, 2022. During fieldwork, the outside of the test chamber was documented using a Nevada State Historic Preservation Office Architectural Resource Assessment form. This effort included verifying the substructures that compose the test chamber as determined by the archival review, as well as obtaining a detailed photographic recordation of the exterior and assessing its current condition. Notably, the site where the Huron King test took place has been abandoned and almost entirely naturalized. All of the portable instrumentation trailers, communications and data cabling, and winch systems used to retract the test chamber following the detonation were removed after completion of the experiment in 1980. Only the subsidence crater and the test chamber remain as physical evidence of this experiment. Based on these findings, DRI recommends that the Huron King Test Chamber is eligible for listing in the National Register of Historic Places (NRHP) at the local level under Significance Criteria A and C and that it meets Criteria Consideration G for properties less than 50 years old.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Nuclear Materials Packaging, Transportation, and Systems Analysis Group Software Quality Assurance Plan: ANSYS Mechanical Finite Element Analysis Software Version 2023R1

ANSYS Inc. develops and markets engineering simulation software and services used in the aerospace, automotive, manufacturing, electronics, biomedical, energy, defense, and many other industries. ANSYS is dedicated to engineering simulation and is the world’s leading software provider. ANSYS was founded in 1970 and is headquartered in Canonsburg, Pennsylvania. ANSYS provides an engineering analysis tool combining structural, thermal, computational fluid dynamics, acoustic, and electromagnetic simulation capabilities. ANSYS has two main programs, which use the same solvers: (1) Mechanical APDL (ANSYS Design Parametric Language), a Fortran-based coding platform, and (2) ANSYS Workbench, which uses a graphical user interface to aid in finite element analysis implementation. This plan covers both APDL and Workbench. The ANSYS computer program is a large-scale, multipurpose finite element program that can be used to solve several classes of engineering analyses. The analysis capabilities of ANSYS include the ability to solve static and dynamic structural analyses, steady-state and transient heat transfer problems, mode-frequency and buckling eigenvalue problems, static or time-varying magnetic analyses, and various types of field and coupled-field applications. The program contains many special features that allow nonlinearities or secondary effects such as plasticity, large strain, hyperelasticity, creep, swelling, large deflections, contact, stress stiffening, temperature dependency, material anisotropy, and radiation to be included in the solution. As ANSYS has been developed, other special capabilities such as substructuring, submodeling, random vibration, kinetostatics, kinetodynamics, free convection fluid analysis, acoustics, magnetics, piezoelectrics, coupled-field analysis, and design optimization have been added to the program. These capabilities contribute further to making ANSYS a multipurpose analysis tool for varied engineering disciplines. The ANSYS program has been in commercial use for over 50 years and has been used extensively in the aerospace, automotive, construction, electronic, energy services, manufacturing, nuclear, plastics, oil, and steel industries. Additionally, many consulting firms and hundreds of universities have used ANSYS for analysis, research, and educational purposes. ANSYS is recognized worldwide as one of the most widely used and capable programs of its type. Ansys design analysis software is the first created within a quality system with ISO 9001 certification, the internationally accepted quality standard. Product development, testing, maintenance and support processes also meet the United States Nuclear Regulatory Commission's quality requirements, as they have for nearly four decades. The Quality Assurance Service Agreement is suitable for the customers working in the nuclear industry who need to meet specific federal regulations including 10CRF50 Appendix B and provisions of 10CFR21. ANSYS has retained its original International Organization for Standardization (ISO) 9001 accreditation certificate since1995-05-04, It’s current certificate is valid until 2027-05-29.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Timing reconstruction utilising multiple detection subsystems at the Short-Baseline Near Detector experiment

The Short-Baseline Near Detector (SBND) is the near detector of the Short-Baseline Neutrino Program, located only 110 m away from the Booster Neutrino Beam (BNB) target at Fermilab (Illinois, USA). SBND employs key detection technologies: a 112-ton Liquid Argon Time Projection Chamber for ionisation electrons, an advanced Photon Detection System (PDS) made up of photomultiplier tubes and X-ARAPUCAs for scintillation light, and a 4π coverage of Cosmic Ray Taggers (CRTs) for cosmic muons. This setup offers an exceptional energy, spatial and timing reconstruction of neutrino interactions. In this poster, we present ongoing timing reconstruction efforts of the PDS and CRTs, as well as combining complementary information across multiple detection subsystems to improve the timing resolution. This results in nanosecond level timing information that can be leveraged as an analysis tool, including the reconstruction of the BNB substructure to accept or reject signals detected in-between neutrino bunches as well as a timing-based discrimination for cosmic rejection.

Corallo, Annalea [INFN, Ferrara]↗
DOE OSTI2019

A Search For Dark Matter Signals in the GalacticHalo with HAWC

The High Altitude Water Cherenkov Observatory (HAWC) is a high energy (500 GeV to 100 TeV) gamma ray detector located in central Mexico. HAWC has both a wide (≈ 2 sr) field of view and near continuous duty cycle, making it ideal for unbiased sky surveys and analysis of highly extended sources. We make use of HAWC's survey abilities to search for dark matter signals originating from the Milky Way Galaxy. By taking an unbiased sample of the sky, we set characteristic upper limits on dark matter annihilation flux for various dark matter masses and annihilation channels as a function of declination. These characteristic limits are then combined with models of the dark matter spatial distribution in order to calculate the HAWC sensitivity to gamma-ray emission from both dark matter substructure and the main Galactic halo. We use this sensitivity to optimize a search for dark matter emission from the main Galactic halo.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Full solution of the medium-induced radiation spectrum

New measurements of jet quenching observables at RHIC and at the LHC, such as jet substructure observables, demand an increased precision in the theory calculations describing medium-induced radiation of gluons. Closed expressions for the gluon spectrum including a full resummation of multiple scatterings have been known for the past 20 years. Still they have only been evaluated in specific limits either taking a few terms in an opacity expansion or by employing a Gaussian approximation for the interaction potential -- which misses essential physical effects. We present here a new flexible method to compute the full spectrum for a realistic interaction potential, thus allowing us for the first time to properly quantify the effect of the all-order resummation of multiple scatterings. This new approach paves the way for precision phenomenological studies including multiple scattering effects such as coherence phenomena.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Imaging the Wake of a Jet with Energy Correlators

In heavy ion collisions, jets are formed during the initial hard scattering event and move through the quark-gluon plasma (QGP) as it evolves. The evolution of the medium manifests itself on the jet via various jet-medium interactions, modifying its substructure as compared to vacuum QCD. Recently, the energy correlator observable has been shown to be a powerful method to decode correlations in pp collisions through measurements in ALICE, CMS and STAR. Additionally, recent studies have shown the sensitivity of this observable to medium modification due to the QGP. In this work [1], we perform the first study of the three-point energy correlator for medium modified jets, to show how it can be used to map out the shape of medium induced modifications. We illustrate this for the specific case of the Hybrid Model, where we show how higher-point correlation functions can image the wake of a jet.

Rai, Ananya [Yale University, New Haven, CT (Unite↗
DOE OSTI2026

Sifting for a Stream: The Morphology of the $300S$ Stellar Stream

Stellar streams are sensitive laboratories for understanding the small-scale structure in our Galaxy’s gravitational field. Here, we analyze the morphology of the $300S$ stellar stream, which has an eccentric, retrograde orbit and thus could be an especially powerful probe of both baryonic and dark substructures within the Milky Way. Due to extensive background contamination from the Sagittarius stream (Sgr), we perform an analysis combining Dark Energy Camera Legacy Survey photometry, $Gaia$ DR3 proper motions, and spectroscopy from the Southern Stellar Stream Spectroscopic Survey (S 5 ). We redetermine the stream coordinate system and distance gradient, then apply two approaches to describe $300S$ ’s morphology. In the first, we analyze stars from $Gaia$ using proper motions to remove Sgr. In the second, we generate a simultaneous model of $300S$ and Sgr based purely on photometric information. Both approaches agree within their respective domains and describe the stream over a region spanning 33° . Overall, $300S$ has three well-defined density peaks and smooth variations in stream width. Furthermore, $300S$ has a possible gap of ~4.7 and a kink. Dynamical modeling of the kink implies that $300S$ was dramatically influenced by the Large Magellanic Cloud. This is the first model of $300S$ ’s morphology across its entire known footprint, opening the door for deeper analysis to constrain the structures of the Milky Way.

Milky Way galaxy↗
DOE OSTI2024

Completing the Ba–As Compositional Space: Synthesis and Characterization of Three New Binary Zintl Arsenides, Ba3As4, Ba5As4, and Ba16As11

Three novel binary barium arsenides, Ba3As4, Ba5As4, and Ba16As11, were synthesized and their crystal and electronic structures were investigated. Structural data collected via the single-crystal X-ray diffraction method indicate that the anionic substructures of all three novel compounds are composed of structural motifs based on the homoatomic As–As contacts, with [As2]4− dimers found in Ba5As4 and Ba16As11, and an [As4]6− tetramer found in Ba3As4. Ba3As4 and Ba5As4 crystallize in the orthorhombic crystal system—with the non-centrosymmetric space group Fdd2 (a = 15.3680(20) Å, b = 18.7550(30) Å, c = 6.2816(10) Å) for the former, and the centrosymmetric space group Cmce (a = 16.8820(30) Å, b = 8.5391(16) Å, and c = 8.6127(16) Å) for the latter—adopting Eu3As4 and Eu5As4 structure types, respectively. The heavily disordered Ba16As11 structure was solved in the tetragonal crystal system with the space group P4¯21m (a = 12.8944(12) Å and c = 11.8141(17) Å). The Zintl concept can be applied to each of these materials as follows: Ba3As4 = (Ba2+)3[As4]6−, Ba5As4 = (Ba2+)5(As3−)2[As2]4−, and 2 × Ba16As11 = (Ba2+)32(As3−) ≈ 20[As2]4− ≈ 1, pointing to the charge-balanced nature of these compounds. Electronic structure calculations indicate narrow bandgap semiconducting behavior, with calculated bandgaps of 0.47 eV for Ba3As4, 0.34 eV for Ba5As4, and 0.33 eV for Ba16As11.

Crystallography↗
DOE OSTI2021

OC6 Phase Ib: Floating Wind Component Experiment for Difference-Frequency Hydrodynamic Load Validation

A new validation campaign was conducted at the W2 Harold Alfond Ocean Engineering Laboratory at the University of Maine to investigate the hydrodynamic loading on floating offshore wind substructures, with a focus on the low-frequency contributions that tend to drive extreme and fatigue loading in semisubmersible designs. A component-level approach was taken to examine the hydrodynamic loads on individual parts of the semisubmersible in isolation and then in the presence of other members to assess the change in hydrodynamic loading. A variety of wave conditions were investigated, including bichromatic waves, to provide a direct assessment of difference-frequency wave loading. An assessment of the impact of wave uncertainty on the loading was performed, with the goal of enabling validation with this dataset of numerical models with different levels of fidelity. The dataset is openly available for public use and can be downloaded from the U.S. Department of Energy Data Archive and Portal.

17 WIND ENERGY↗
DOE OSTI2023

Ba5Sb8: The Highest Homologue of the Family of Binary Semiconducting Barium Antimonides BanSb2n−2 (n ≥ 2)

A novel binary compound within the Ba–Sb phase diagram, Ba5Sb8, was synthesized by combining elements with an excess of Sb in an alumina crucible. Structural elucidation was performed using single-crystal X-ray diffraction. This compound crystallizes in the orthorhombic space group Fdd2 with unit cell parameters of a = 15.6568(13) Å, b = 35.240(3) Å, c = 6.8189(6) Å, adopting its own structure type. The most distinctive features of the structure are the eight-membered [Sb8]10− polyanionic fragments which have no known precedents among antimonides. They are separated by five Ba2+ cations, which afford the charge balance and enable adherence to the Zintl–Klemm formalism. Ba5Sb8 is the highest known member of the homologous series within the family of barium antimonides BanSb2n−2 (n ≥ 2), all of which boast anionic substructures with oligomeric moieties of pnictogen atoms with varied lengths and topologies. Electronic structure calculations indicate an indirect narrow bandgap of ca. 0.45 eV, which corroborates the valence-precise chemical bonding in Ba5Sb8.

Samarakoon, S. M. Gayomi K.↗