Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “THREE-DIMENSIONAL LATTICES”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

FFLO order in ultra-cold atoms in three-dimensional optical lattices

We explore different ground-state phases of attractive spin-imbalanced populations of fermions in three-dimensional optical lattices. Detailed numerical calculations are performed using Hartree–Fock–Bogoliubov theory to determine the ground-state properties systematically for different values of density, spin polarization and interaction strength. To begin, we consider the high density and low polarization regime, in which the effect of the optical lattice is most evident. Then, we proceed to the low density and high polarization regime where the effects of the underlying lattice are less significant and the system begins to resemble a continuum Fermi gas. We discover the effects of density, polarization and interaction on the character of the phases in each regime and highlight the qualitative differences between the two regimes. In the high-density regime, the order is found to be of Larkin–Ovchinnikov type, linearly oriented with one characteristic wave vector but varying in its direction with the parameters. At lower densities the order parameter develops more structures involving multiple wave vectors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Muon-induced fission of actinide nuclei

A negative muon captured by an actinide cascades down through the muonic atomic levels; deeply bound transitions can proceed via inverse internal conversion, depositing the muonic transition energy directly into the nucleus and, when the deposited energy exceeds the fission barrier, inducing prompt fission. Because the muon mean lifetime exceeds the saddle-to-scission timescale by orders of magnitude, the muon can survive the entire fission event as a 1⁢𝑠 spectator and ultimately attach to one or both of the emerging fragments. Its postscission attachment probability to the light fragment, 𝑃 𝐿 , can be used as a direct electromagnetic probe of fission dynamics on a timescale of 10 −21 s. In previous work, we introduced a three-dimensional lattice solution of the time-dependent Dirac equation coupled to the electromagnetic field generated by a fissioning nucleus and reported 𝑃 𝐿 for several actinides at a single dissipation strength. In this work, we extend that framework to a systematic survey of 232 Th , 238 U , and 240 Pu and implement a more realistic fission model which incorporates dynamic pairing correlations. We find that 𝑃 𝐿 falls steeply with the fragment charge asymmetry, a robust structural fingerprint of the fissioning system, while its dependence on nuclear dissipation is secondary and sensitive to the phenomenological friction prescription. These results establish 𝑃 𝐿 as a clean electromagnetic probe of fragment charge asymmetry and motivate a self-consistent, coordinate- and time-dependent treatment of nuclear dissipation as the natural next step.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

On the thermodynamics and other constitutive properties of a class of strongly magnetized matter observed in astrophysics

It is shown that the occurrence of magnetization work is a consistent thermodynamic explanation of the property of anti-correlation between temperature and density of the electrons gas in a class of magnetic-field-dominated structures observed in the interplanetary medium. In this model, a 7/4 scaling ratio for magnetization work to electron-gas work explains the often observed anomalous adiabatic polytropic exponent γ{sub a}=1/2. This interpretation is built on the theoretical conjecture of a matter state having spatial confinement of most hadronic elements of matter, i.e., matter held in place by the action of what is here denominated as a “super-strong” magnetic field, which together with the plasma it contains satisfies—on medium to large spatial-temporal scales—ideal magnetohydrodynamics. Several elements of the interpretation are tested for a case study, the flux-rope (FR) structure passing Wind SC on 1998 June 2. This allows us to extract, for a 185 s sample interval inside the FR, the following constitutive properties of this diamagnetic state of matter: (i) sound speed, (ii) thermal temperature, (iii) magnetic permeability, and (iv) a low limit to its dielectric permittivity. The intervals of coherence, i.e., thermodynamic homogeneity, extend from a few to many 10{sup 4} km for plasma and magnetic field average with a sampling rate of 3s per value. We point out that this state of matter, which we identify to be an amorphous three-dimensional Langmuir lattice, differs from other materials studied in the laboratory at extreme low temperatures and is well described as BCS-superconductors because in our case we understand that (a) the magnetic permeability is non-zero, and (b) substantial field-aligned, convected-current density exists.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Selective Bidentate Coordination Reconstructs Residual PbI 2 to Homogenize Interfacial Energetics in Perovskite Solar Cells

Spatially heterogeneous interfacial energetics, often originating from residual lead iodide (PbI 2 ), represent a fundamental bottleneck to both the efficiency and operational stability of perovskite photovoltaics. Conventional PbI 2 passivation strategies based on monodentate ligands or highly polar solvents either interact weakly with PbI 2 or undesirably perturb the underlying three-dimensional perovskite lattice. Here, we report a diammonium bidentate strategy that selectively reconstructs residual PbI 2 into corner-sharing PbI 6 octahedra while preserving the bulk perovskite. Enabled by dual-site coordination, a newly designed thiophene-based bidentate ligand (MeXT) stabilizes PbI 6 units during passivation and establishes spatially homogeneous interfacial energetics. Perovskite solar cells incorporating MeXT achieve 26.19% power conversion efficiency and retain over 80% of their initial efficiency after 1000 h of continuous 1-sun illumination at 75 °C. This dual-anchor coordination passivation strategy establishes a general design principle for selectively treating residual PbI 2 and creating electronically coherent and operationally stable interfaces in perovskite photovoltaics.

ligands↗
DOE OSTI2015

Growth modes of thin films of ligand-free metal clusters

Size-selected Mo{sub n}{sup −}, W{sub n}{sup −}, and Fe{sub n}{sup −} cluster anions are deposited on a weakly interacting substrate (highly oriented pyrolytic graphite) and studied ex-situ using atomic force microscopy. Depending on size, three growth modes can be distinguished. Very small clusters consisting of less than 10–30 atoms behave similar to atoms and coalesce into 3-dimensional bulk-like islands. Medium sized clusters consisting of hundreds of atoms do not coalesce and follow a Stanski-Krastanov growth pattern. At low coverage, an almost perfect monolayer is formed. This is a new finding different from all previous studies on deposited metal clusters. For clusters with several thousands of atoms, the growth pattern again changes. At low coverage, the substrate is dotted with individual clusters, while at high coverage, the surface becomes extremely rough.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Discrete space charge affected field emission: Flat and hemisphere emitters

Models of space-charge affected thermal-field emission from protrusions, able to incorporate the effects of both surface roughness and elongated field emitter structures in beam optics codes, are desirable but difficult. The models proposed here treat the meso-scale diode region separate from the micro-scale regions characteristic of the emission sites. The consequences of discrete emission events are given for both one-dimensional (sheets of charge) and three dimensional (rings of charge) models: in the former, results converge to steady state conditions found by theory (e.g., Rokhlenko et al. [J. Appl. Phys. 107, 014904 (2010)]) but show oscillatory structure as they do. Surface roughness or geometric features are handled using a ring of charge model, from which the image charges are found and used to modify the apex field and emitted current. The roughness model is shown to have additional constraints related to the discrete nature of electron charge. The ability of a unit cell model to treat field emitter structures and incorporate surface roughness effects inside a beam optics code is assessed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Photoconductivity oscillations in surface state of three-dimensional topological insulator subjected to a magnetic field

We describe a theoretical study of the terahertz (THz) radiation field-induced dc transport response of the surface state of a 3D topological insulator that has been subjected to a perpendicular magnetic field. Using the Landau–Floquet state and linear response theory, we obtain the photoconductivity characteristics for various types of polarized THz field. The longitudinal photoconductivity shows a clear oscillatory dependence on ω/ω{sub B}, where ω{sub B}=v{sub F}√(2eB/ℏ). This oscillation occurs because of the oscillatory structure of the Landau density of states and occurs in agreement with the photon-assisted transitions between the different Landau levels. The THz field's polarization has a major influence on the photoconductivity. A linear transverse polarization will lead to the most obvious oscillation, while the circular polarization is next to it, but the longitudinal polarization has no influence. We also discuss the broadening effect on the impurity potential and its influence. The findings with regard to the interactions between topological insulators and THz fields actually open a path toward the development of THz device applications of topological insulators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

X-ray perspective of the twisted magnetospheres of magnetars

Anomalous X-ray pulsars (AXPs) and soft gamma-ray repeaters (SGRs) are recognized as the most promising magnetar candidates, as indicated by their energetic bursts and rapid spin-downs. It is expected that the strong magnetic field leaves distinctive imprints on the emergent radiation both by affecting the radiative processes in atmospheres of magnetars and by scattering in the upper magnetospheres. We construct a self-consistent physical model that incorporates emission from the magnetar surface and its reprocessing in the three-dimensional (3D) twisted magnetosphere using a Monte Carlo technique. The synthetic spectra are characterized by four parameters: surface temperature kT, surface magnetic field strength B, magnetospheric twist angle Δϕ, and the normalized electron velocity β. We also create a tabular model (STEMS3D) and apply it to a large sample of XMM-Newton spectra of magnetars. The model successfully fits nearly all spectra, and the obtained magnetic field for 7 out of the 11 sources are consistent with the values inferred from the spin-down rates. We conclude that the continuum-fitting by our model is a robust method to measure the magnetic field strength and magnetospheric configuration of AXPs and SGRs. Investigating the multiple observations of variable sources, we also study the mechanism of their spectral evolution. Our results suggest that the magnetospheres in these sources are highly twisted (Δϕ>1), and the behavior of magnetospheric twisting and untwisting is revealed in the 2002 outburst of 1E 2259+586.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2026

Evaluation of Superalloy 718 Additively Manufactured Lattice Blocks

Lattice block structures made up of high temperature superalloys could offer advantages in density, efficiency, and tailored properties. Three candidate lattice designs were screened through additive manufacturing of superalloy 718. Laser powder bed fusion was applied with 718 powder to produce lattice blocks for three-dimensional octahedral unit cell designs of three heights. As-designed versus additively manufactured 718 lattices were compared, including structural dimensions, densities, defects, grain structures, crystallographic texture, and surface residual stresses. Manufactured lattice I diverged the most from its design, with both corner and center nodes merged into continuous columns. Manufactured lattice III came closest to its design, though the actual nodes and struts were still larger in cross section than in the design. Only modest grain coarsening and negligible chemical segregation were observed for all three designs, suggesting uniform thermo-physical and mechanical properties are possible. Significant tensile residual stresses were present at the surface of the manufactured blocks, with highest stresses in the building direction. Current findings indicate this concept could produce useful superalloy structures for high-temperature-capable static components requiring tailored density, and thermo-physical/mechanical properties.

super alloys↗
NASA NTRSDate not supplied

Evaluations of Additively Manufactured Superalloy Lattice Blocks

Cast lattice block structures made up of high-temperature superalloys were previously shown to offer advantages in density, efficiency, and tailored properties. However, inconsistencies in casting die-fill, composition, and microstructure were identified as persistent issues with the casting process path. Three candidate lattice designs were screened through additive manufacturing of a superalloy. Laser powder bed fusion was applied with superalloy powder to produce lattice blocks for three-dimensional octahedral unit-cell designs of three heights. Properties of the structural designs versus additively manufactured lattices were compared, including structural dimensions, densities, defects, grain structures, crystallographic texture, and surface residual stresses. Findings indicate this concept could produce useful superalloy structures for high-temperature-capable static components requiring tailored density, and thermophysical and mechanical properties.

superalloy↗
DOE OSTI2015

A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoretical analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kr ner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.

3D X-ray microscopy↗
DOE OSTI2026

Oxide nucleation via threshold-driven volume instability in Ni oxidation

Oxide nucleation dictates the onset of metal oxidation, yet the atomistic pathways bridging initial oxygen adsorption to bulk phase transformation remain elusive. Here, we utilize in-situ atomic-resolution imaging to directly capture the nucleation of nickel oxide, revealing a threshold-driven, cooperative transformation of Ni into NiO. Our observations identify a distinct incubation period during which oxygen progressively accumulates in subsurface layers. Once a critical concentration and penetration depth are reached, a collective lattice reconfiguration is triggered, abruptly converting multiple Ni layers into NiO. Atomistic simulations corroborate this mechanism, identifying a cooperative lattice instability induced by subsurface oxygen saturation. These results establish subsurface oxygen incorporation as the missing mechanistic link between surface adsorption and three-dimensional oxide formation, providing an atomistic framework to understand and control reactive phase transformations in materials synthesis, catalysis, and degradation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Deterministic Fabrication of Large-Area, High-Crystallinity Oxide Moiré Superlattices

Oxide twistronics extends moiré engineering beyond van der Waals materials, offering a promising platform for accessing emergent interfacial phenomena arising from the strong coupling of lattice, charge, and orbital degrees of freedom in complex oxides. However, deterministic fabrication of high-crystallinity oxide moiré superlattices over large lateral dimensions remains challenging due to the three-dimensional bonding network of oxides. Here, we demonstrate a scalable, generalized fabrication strategy that enables the formation of high-crystallinity oxide moiré superlattices with clean, chemically bonded interfaces and precisely controlled twist angles down to nominal values of 0.1°, achieving subdegree twist-angle accuracy across large contiguous lateral dimensions approaching the millimeter scale. Using NaNbO3 as a model system, we show that the resulting interlayer coupling drives pronounced structural reconstruction that modifies both the phase structure and ferroelectric domain configuration. Synchrotron-based X-ray 3D reciprocal space mapping reveals the emergence of a single-phase state in twisted bilayers, in contrast to the mixed-phase structure observed in single-layer membranes prior to twist assembly. The structural signatures are further consistent with gradual lattice rotation distributed along the thickness direction that may accommodate interfacial shear strain, distinct from reconstruction observed in van der Waals moiré systems which primarily occurs through in-plane stacking rearrangement. This collective lattice response is correlated with twist-dependent nanoscale electromechanical modulations observed by piezoresponse force microscopy. These results establish a scalable materials platform for oxide twistronics and support the implementation of twist-engineered functionalities in practical, macroscale device architectures.

Ghanbari, Reza [North Carolina State University (N↗
DOE OSTI2026

Nuclear recoil detection with color centers in bulk lithium fluoride

We present initial results on the detection of nuclear recoils in lithium fluoride (LiF) through the fluorescence of color centers created by particle interactions in the crystal lattice. Using light-sheet fluorescence microscopy, we image nuclear recoil tracks from both fast and thermal neutron interactions deep within a cubic-centimeter-scale sample. Automated three-dimensional feature extraction based on machine-learning tools enables the identification and classification of individual events. We observe that the fluorescence response of LiF to gamma irradiation is strongly suppressed, by a factor of 30–50 compared to neutron exposure, demonstrating intrinsic insensitivity to electromagnetic backgrounds. The observed and simulated event characteristics are consistent, including their number, size, and topology. These results establish the feasibility of LiF as a scalable detection medium for rare nuclear-recoil events and constitute a first step toward 10–1000 g scale detectors with single-event sensitivity for applications in reactor-neutrino detection, neutron spectroscopy, and dark matter searches.

Aroujo, G R [University of Zurich]↗
DOE OSTI2025

Spin-strain interactions under hydrostatic pressure in α-RuCl 3

We investigate the effects of hydrostatic pressure on 𝛼−RuCl 3 , a prototypical material for the Kitaev spin model on a honeycomb lattice with a possible spin-liquid ground state. Using ultrasound measurements at pressures up to 1.16 GPa, we reveal significant modifications of the acoustic properties and the 𝐻−𝑇 phase diagram of this material. Hydrostatic pressure suppresses the three-dimensional magnetic order and induces a dimerization transition at higher pressures. At low pressures, the sound attenuation exhibits a linear temperature dependence, while above 0.28 GPa, it becomes nearly temperature independent, suggesting a shift in the phonon scattering regime dominated by Majorana fermions. These findings provide new insights into spin-strain interactions in Kitaev magnets and deliver a detailed characterization of the 𝐻−𝑇 phase diagram of 𝛼−RuCl 3 under hydrostatic pressure.

Focused ion beam↗
DOE OSTI2026

Unitary Qubit Lattice Algorithms for Plasma Physics

This final technical report summarizes research conducted under DOE Award DE-SC0021653 to develop unitary Quantum Lattice Algorithms for modeling electromagnetic wave propagation and scattering in complex media, including plasmas. The project developed and validated quantum-inspired formulations of Maxwell's equations that preserve unitary evolution and can be evaluated on classical high-performance computing systems while providing a foundation for future quantum-computing implementations. Major accomplishments include the development of two- and three-dimensional algorithms for electromagnetic scattering; scalable, distributed-memory implementations demonstrated on the Perlmutter supercomputer; formulations for nonlinear lossless fluid dynamics and cold, lossless, inhomogeneous magnetized plasmas; and an explicit quantum algorithm for a time-discretized Lorenz model. Simulations reproduced a range of characteristic wave phenomena, including transient effects that are not readily apparent in conventional frequency-domain studies, demonstrating the effectiveness of the proposed approach for modeling complex electromagnetic and plasma systems. The work establishes a unified theoretical and computational framework for quantum and quantum-inspired simulation and provides a foundation for future implementation on fault-tolerant quantum systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Low-current field-assisted assembly of copper nanoparticles for current collectors

Current collectors are essential features of batteries and many other electronic devices being responsible for efficient charge transport to active electrode materials. Three-dimensional (3D), high surface area current collectors considerably improve the performance of cathodes and anodes in batteries, but their technological implementation is impeded by the complexity of their preparation, which needs to be simple, fast, and energy efficient. In this paper we demonstrate that field-stimulated assembly of ~3 nm copper nanoparticles (NPs) enables the preparation of porous Cu NP films. The use of NP dispersions enables 30× reduction of the deposition current for making functional 3D coatings. In addition to high surface area, lattice-to-lattice connectivity in the self-assembly of NPs in 3D structures enables fast charge transport. The mesoscale dimensions of out-of-plane features and the spacing between them in Cu films made by field-stimulated self-assembly of NPs provides promising morphology for current collection in lithium ion batteries (LIBs). Half-cell electrochemical models based on self-assembled films show improved specific capacity, total capacity, and cycling performance compared to traditional flat and other 3D current collectors. While integration of active electrode material into the 3D topography of the current collector needs to be improved, this study indicates that self-assembled NP films represent a viable manufacturing approach for 3D electrodes.

36 MATERIALS SCIENCE↗