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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Deterministic Ferroelastic Domain Switching Using Ferroelectric Bilayers

Composition gradients, or dissimilar ferroelectric bilayers, demonstrate colossal electromechanical figures of merit attributed to the motion of ferroelastic domain walls. Yet, mechanistic understanding of polarization switching pathways that drive ferroelastic switching in these systems remains elusive. Here, the crucial roles of strain and electrostatic boundary conditions in ferroelectric bilayer systems are revealed, which underpin their ferroelastic switching dynamics. Using in situ electrical biasing in the transmission electron microscope (TEM), the motion of ferroelastic domain walls is investigated in a tetragonal (T) Pb(Zr,Ti)O 3 (PZT)/rhombohedral (R) PZT epitaxial bilayer system. Atomic resolution electron microscopy, in tandem with phase field simulations, indicates that ferroelastic switching is triggered by predominant nucleation at the triple domain junctions located at the interface between the T/R layers. Furthermore, this interfacial nucleation leads to systematic reversable reorientation of ferroelastic domain walls. Finally, deterministic ferroelastic domain switching, driven by the interfacial strain and electrostatic boundary conditions in the ferroelectric bilayer, provides a viable pathway toward novel design of miniaturized energy-efficient electromechanical devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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 OSTI2023

Deterministic Localization of Strain-Induced Single-Photon Emitters in Multilayer GaSe

The nanoscale strain has emerged as a powerful tool for controlling single-photon emitters (SPEs) in atomically thin transition metal dichalcogenides (TMDCs). However, quantum emitters in monolayer TMDCs are typically unstable in ambient conditions. Multilayer TMDCs could be a solution, but they suffer from low quantum efficiency, resulting in low brightness of the SPEs. Here, we report the deterministic spatial localization of strain-induced SPEs in multilayer GaSe by nanopillar arrays. The strain-controlled quantum confinement effect introduces well-isolated sub-bandgap photoluminescence and corresponding suppression of the broad band edge photoluminescence. Clear photon-antibunching behavior is observed from the quantum dot-like GaSe sub-bandgap exciton emission at 3.5 K. The strain-dependent confinement potential and the brightness are found to be strongly correlated, suggesting a promising route for tuning and controlling SPEs. The comprehensive investigations of strain-engineered GaSe SPEs provide a solid foundation for the development of 2D devices for quantum photonic technologies.

2D materials↗
DOE OSTI2017

Deterministic Placement of Quantum-Size Controlled Quantum Dots for Seamless Top-Down Integration

We demonstrate a new route toward the integration and deterministic placement of quantum dots (QDs) within prepatterned nanostructures. Using standard electron-beam lithography (EBL) and inductively coupled plasma reactive-ion etching (ICP-RIE), we fabricate arrays of nanowires on a III-nitride platform. Next, we integrate QDs of controlled size within the prepatterned nanowires using a bandgap-selective, wet-etching technique: quantum-size-controlled photoelectrochemical (QSC-PEC) etching. Low-temperature microphotoluminescence (μ-PL) measurements of individual nanowires reveal sharp spectral signatures, indicative of QD formation. Further, internal quantum efficiency (IQE) measurements reveal a near order of magnitude improvement in emitter efficiency following QSC-PEC etching. Finally, second-order cross-correlation (g(2)(0)) measurements of individual QDs directly confirm nonclassical, antibunching behavior. Lastly, our results illustrate an exciting approach toward the top-down integration of nonclassical light sources within nanophotonic platforms.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Deterministic phase slips in mesoscopic superconducting rings

The properties of one-dimensional superconductors are strongly influenced by topological fluctuations of the order parameter, known as phase slips, which cause the decay of persistent current in superconducting rings and the appearance of resistance in superconducting wires. Despite extensive work, quantitative studies of phase slips have been limited by uncertainty regarding the order parameter’s free-energy landscape. Here we show detailed agreement between measurements of the persistent current in isolated flux-biased rings and Ginzburg–Landau theory over a wide range of temperature, magnetic field and ring size; this agreement provides a quantitative picture of the free-energy landscape. Furthermore, we also demonstrate that phase slips occur deterministically as the barrier separating two competing order parameter configurations vanishes. These results will enable studies of quantum and thermal phase slips in a well-characterized system and will provide access to outstanding questions regarding the nature of one-dimensional superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Soft network composite materials with deterministic and bio-inspired designs

Hard and soft structural composites found in biology provide inspiration for the design of advanced synthetic materials. Many examples of bio-inspired hard materials can be found in the literature; far less attention has been devoted to soft systems. Here we introduce deterministic routes to low-modulus thin film materials with stress/strain responses that can be tailored precisely to match the non-linear properties of biological tissues, with application opportunities that range from soft biomedical devices to constructs for tissue engineering. The approach combines a low-modulus matrix with an open, stretchable network as a structural reinforcement that can yield classes of composites with a wide range of desired mechanical responses, including anisotropic, spatially heterogeneous, hierarchical and self-similar designs. Demonstrative application examples in thin, skin-mounted electrophysiological sensors with mechanics precisely matched to the human epidermis and in soft, hydrogel-based vehicles for triggered drug release suggest their broad potential uses in biomedical devices.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Deterministic optical control of room temperature multiferroicity in BiFeO 3 thin films

Controlling ferroic orders (ferroelectricity, ferromagnetism and ferroelasticity) by optical methods is a significant challenge due to the large mismatch in energy scales between the order parameter coupling strengths and the incident photons. In this work, we demonstrate an approach to manipulate multiple ferroic orders in an epitaxial mixed-phase BiFeO 3 thin film at ambient temperature via laser illumination. Phase-field simulations indicate that a light-driven flexoelectric effect enables the targeted formation of ordered domains. We also achieved precise sequential laser writing and erasure of different domain patterns, which demonstrates a deterministic optical control of multiferroicity at room temperature. As ferroic orders directly influence susceptibility and conductivity in complex materials, our results not only shed light on the optical control of multiple functionalities, but also indicate possible developments for optoelectronics and related applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Extending deterministic transport capabilities for very-high and ultra-high energy electron beams

Focused Very-High Energy Electron (VHEE, 50–300 MeV) and Ultra-High Energy Electron (UHEE, > 300 MeV) beams can accurately target both large and deeply seated human tumors with high sparing properties, while avoiding the spatial requirements and cost of proton and heavy ion facilities. Advanced testing phases are underway at the CLEAR facilities at CERN (Switzerland), NLCTA at Stanford (USA), and SPARC at INFN (Italy), aiming to accelerate the transition to clinical application. Currently, Monte Carlo (MC) transport is the sole paradigm supporting preclinical trials and imminent clinical deployment. In this paper, we propose an alternative: the first extension of the nuclear-reactor deterministic chain Njoy-Dragon for VHEE and UHEE applications. We have extended the Boltzmann-Fokker-Planck (BFP) multigroup formalism and validated it using standard radio-oncology benchmarks, complex assemblies with a wide range of atomic numbers, and comprehensive irradiation of the entire periodic table. We report that 99% of water voxels exhibit a BFP-MC deviation below 2% for electron energies under 1.5 GeV. Additionally, we demonstrate that at least 97% of voxels of bone, lung, adipose tissue, muscle, soft tissue, tumor, steel, and aluminum meet the same criterion between 50 MeV and 1.5 GeV. For water, the thorax, and the breast intra-operative benchmark, typical average BFP-MC deviations of 0.3% and 0.4% were observed at 300 MeV and 1 GeV, respectively. By irradiating the entire periodic table, we observed similar performance between lithium (Z = 3) and cerium (Z = 58). Deficiencies observed between praseodymium (Z = 59) and einsteinium (Z = 99) have been reported, analyzed, and quantified, offering critical insights for the ongoing development of the Evaluated Nuclear Data File mode in NJOY.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2023

Off-resonant detection of domain wall oscillations using deterministically placed nanodiamonds

Abstract Nitrogen-vacancy (NV) centers in diamond offer a sensitive method of measuring the spatially localized dynamics of magnetization and associated spin textures in ferromagnetic materials. We use NV centers in a deterministically positioned nanodiamond to demonstrate off-resonant detection of microwave field-driven GHz-scale oscillations of a single domain wall (DW). The technique exploits the enhanced relaxation of NV center spins due to the broadband stray field noise generated by an oscillating DW pinned at an engineered defect in a lithographically patterned ferromagnetic nanowire. Discrepancies between the observed DW oscillation frequency and predictions from micromagnetic simulations suggest extreme sensitivity of DW dynamics to patterning imperfections such as edge roughness. These experiments and simulations identify potential pathways toward quantum spintronic devices that exploit current-driven DWs as nanoscale microwave generators for qubit control, greatly increasing the driving field at an NV center and thus drastically reducing the π pulse time.

Rable, Jeffrey↗
DOE OSTI2015

Deterministic Domain Wall Motion Orthogonal To Current Flow Due To Spin Orbit Torque

Spin-polarized electrons can move a ferromagnetic domain wall through the transfer of spin angular momentum when current flows in a magnetic nanowire. Such current induced control of a domain wall is of significant interest due to its potential application for low power ultra high-density data storage. In previous reports, it has been observed that the motion of the domain wall always happens parallel to the current flow – either in the same or opposite direction depending on the specific nature of the interaction. In contrast, here we demonstrate deterministic control of a ferromagnetic domain wall orthogonal to current flow by exploiting the spin orbit torque in a perpendicularly polarized Ta/CoFeB/MgO heterostructure in presence of an in-plane magnetic field. Reversing the polarity of either the current flow or the in-plane field is found to reverse the direction of the domain wall motion. Notably, such orthogonal motion with respect to current flow is not possible from traditional spin transfer torque driven domain wall propagation even in presence of an external magnetic field. Therefore the domain wall motion happens purely due to spin orbit torque. These results represent a completely new degree of freedom in current induced control of a ferromagnetic domain wall.

Science & Technology - Other Topics↗
DOE OSTI2025

Deterministic fabrication of highly reproducible monochromatic quantum emitters in hexagonal boron nitride

Quantum emitters in hexagonal boron nitride are important room temperature single-photon sources. However, conventional fabrication methods yield quantum emitters with dispersed and inconsistent spectral profiles, limiting their potential for practical quantum applications, which demand reproducible high quality single-photon sources. Here, we report the deterministic creation of highly reproducible monochromatic quantum emitters by applying carbon-ion implantation on freestanding hexagonal boron nitride flakes, while a carbon mask with suitable thickness was adapted to optimize the implantation results. Quantum emitters fabricated using this approach exhibited thermally limited monochromaticity, with an emission center wavelength of 590.7 ± 2.7 nm, a narrow full width at half maximum of 7.1 ± 1.7 nm, an emission rate of 1 MHz without optical engineering, and exceptional stability under ambient conditions. Density functional theory calculations and scanning transmission electron microscopy suggest that these emitters are comprised of boron centered carbon tetramers. This method provides a reliable single-photon source for optical quantum computing and potential future industry-scale applications.

Hua, Muchuan [Argonne National Laboratory (ANL), A↗
DOE OSTI2023

Preservation of kinetics parameters generated by Monte Carlo calculations in two-step deterministic calculations

The generation of accurate kinetic parameters such as mean generation time Λ and effective delayed neutron fraction β eff via Monte Carlo codes is established. Employing these in downstream deterministic codes warrants another step to ensure no additional error is introduced by the low-order transport operator when computing forward and adjoint fluxes for bilinear weighting of these parameters. Another complexity stems from applying superhomogenization (SPH) equivalence in non-fundamental mode approximations, where reference and low-order calculations rely on a 3D full core model. In these cases, SPH factors can optionally be computed for only part of the geometry while preserving reaction rates and K-effective, but the impact of such approximations on kinetics parameters has not been thoroughly studied. This paper aims at studying the preservation of bilinearly-weighted quantities in the Serpent–Griffin calculation procedure. Diffusion and transport evaluations of IPEN/MB-01, Godiva, and Flattop were carried out with the Griffin reactor physics code, testing available modeling options using Serpent-generated multigroup cross sections and equivalence data. Verifying Griffin against Serpent indicates sensitivities to multigroup energy grid selection and regional application of SPH equivalence, introducing significant errors; these were demonstrated to be reduced through the use of a transport method together with a finer energy grid.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2010

Deterministic Quantization by Dynamical Boundary Conditions

We propose an unexplored quantization method. It is based on the assumption of dynamical space-time intrinsic periodicities for relativistic fields, which in turn can be regarded as dual to extra-dimensional fields. As a consequence we obtain a unified and consistent interpretation of Special Relativity and Quantum Mechanics in terms of Deterministic Geometrodynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Deterministic assembly of releasable single crystal silicon-metal oxide field-effect devices formed from bulk wafers

Deterministic assembly of ultrathin metal oxide-semiconductor field-effect transistors released from the surfaces of bulk wafers with (111) orientation provides a route to high quality electronics on nearly any type of substrate. Device parameters and bias stability characteristics from transistors on sheets of plastic confirm the effectiveness of the approach and the critical roles of thermally grown layers of silicon dioxide for the gate dielectrics and passivation layers. Here, systematic studies of the anisotropic etching processes used to release the devices illustrate capabilities into the sub-micron thickness regime, with beneficial effects on the bending stiffness and degree of bendability.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Electronic spectrum of a deterministic single-donor device in silicon

We report the fabrication of a single-electron transistor (SET) based on an individual phosphorus dopant that is deterministically positioned between the dopant-based electrodes of a transport device in silicon. Electronic characterization at mK-temperatures reveals a charging energy that is very similar to the value expected for isolated P donors in a bulk Si environment. Furthermore, we find indications for bulk-like one-electron excited states in the co-tunneling spectrum of the device, in sharp contrast to previous reports on transport through single dopants.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Tapered fiber coupling of single photons emitted by a deterministically positioned single nitrogen vacancy center

A diamond nano-crystal hosting a single nitrogen vacancy (NV) center is optically selected with a confocal scanning microscope and positioned deterministically onto the subwavelength-diameter waist of a tapered optical fiber (TOF) with the help of an atomic force microscope. Based on this nano-manipulation technique, we experimentally demonstrate the evanescent coupling of single fluorescence photons emitted by a single NV-center to the guided mode of the TOF. By comparing photon count rates of the fiber-guided and the free-space modes and with the help of numerical finite-difference time domain simulations, we determine a lower and upper bound for the coupling efficiency of (9.5 ± 0.6)% and (10.4 ± 0.7)%, respectively. Our results are a promising starting point for future integration of single photon sources into photonic quantum networks and applications in quantum information science.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Location deterministic biosensing from quantum-dot-nanowire assemblies

Semiconductor quantum dots (QDs) with high fluorescent brightness, stability, and tunable sizes, have received considerable interest for imaging, sensing, and delivery of biomolecules. In this research, we demonstrate location deterministic biochemical detection from arrays of QD-nanowire hybrid assemblies. QDs with diameters less than 10 nm are manipulated and precisely positioned on the tips of the assembled Gold (Au) nanowires. The manipulation mechanisms are quantitatively understood as the synergetic effects of dielectrophoretic (DEP) and alternating current electroosmosis (ACEO) due to AC electric fields. The QD-nanowire hybrid sensors operate uniquely by concentrating bioanalytes to QDs on the tips of nanowires before detection, offering much enhanced efficiency and sensitivity, in addition to the position-predictable rationality. This research could result in advances in QD-based biomedical detection and inspires an innovative approach for fabricating various QD-based nanodevices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗