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At least 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Hierarchical domain structures in buckled ferroelectric free sheets

Flat elastic sheets tend to display wrinkles and folds. From pieces of clothing down to two-dimensional crystals, these corrugations appear in response to strain generated by sheet compression or stretching, thermal or mechanical mismatch with other elastic layers, or surface tension. Extensively studied in metals, polymers and, — more recently — in van der Waals exfoliated layers, with the advent of thin single crystal freestanding films of complex oxides, researchers are now paying attention to novel microstructural effects induced by bending ferroelectric-ferroelastics, where polarization is strongly coupled to lattice deformation. Here we show that wrinkle undulations in BaTiO3 sheets bonded to a viscoelastic substrate transform into a buckle delamination geometry when transferred onto a rigid substrate. Using spatially resolved techniques at different scales (Raman, scanning probe and electron microscopy), we show how these delaminations in the free BaTiO3 sheets display a self-organization of ferroelastic domains along the buckle profile that strongly differs from the more studied sinusoidal wrinkle geometry. Moreover, we disclose the hierarchical distribution of a secondary set of domains induced by the misalignment of these folding structures from the preferred in-plane crystallographic orientations. Our results disclose the relevance of the morphology and orientation of buckling instabilities in ferroelectric free sheets, for the stabilization of different domain structures, pointing to new routes for domain engineering of ferroelectrics in flexible oxide sheets.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Tunable room-temperature ferromagnetism in Co-doped two-dimensional van der Waals ZnO

The recent discovery of ferromagnetism in two-dimensional van der Waals crystals has provoked a surge of interest in the exploration of fundamental spin interaction in reduced dimensions. However, existing material candidates have several limitations, notably lacking intrinsic room-temperature ferromagnetic order and air stability. Here, motivated by the anomalously high Curie temperature observed in bulk diluted magnetic oxides, we demonstrate room-temperature ferromagnetism in Co-doped graphene-like Zinc Oxide, a chemically stable layered material in air, down to single atom thickness. Through the magneto-optic Kerr effect, superconducting quantum interference device and X-ray magnetic circular dichroism measurements, we observe clear evidences of spontaneous magnetization in such exotic material systems at room temperature and above. Transmission electron microscopy and atomic force microscopy results explicitly exclude the existence of metallic Co or cobalt oxides clusters. X-ray characterizations reveal that the substitutional Co atoms form Co 2+ states in the graphitic lattice of ZnO. By varying the Co doping level, we observe transitions between paramagnetic, ferromagnetic and less ordered phases due to the interplay between impurity-band-exchange and super-exchange interactions. Our discovery opens another path to 2D ferromagnetism at room temperature with the advantage of exceptional tunability and robustness.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Phosphorus diffusion and deactivation during SiGe oxidation

Dopant profiles near the semiconductor–oxide interface are critical for microelectronic device performance. As the incorporation of Si 1−x Ge x into transistors continues to increase, it is necessary to understand the behavior of dopants in Si 1−x Ge x . In this paper, the diffusion and electrical activation of phosphorus within a strained, single-crystal Si 0.7 Ge 0.3 layer on Si during oxidation are reported. Both layers were uniformly doped, in situ, with an average phosphorus concentration of 4 × 10 19 atoms/cm 3 . After high-temperature oxidation, secondary ion mass spectrometry measurements revealed that the bulk of the phosphorus diffuses out of only the SiGe layer and segregates at the oxidizing SiGe–SiO 2 interface. Hall effect measurements corroborate the observed phosphorus loss and show that the phosphorus diffusing to the oxidizing interface is electrically inactive. Through density functional theory (DFT) calculations, it is shown that phosphorus interstitials prefer sites near the SiGe–SiO 2 interface. Finally, based on a combination of experimental data and DFT calculations, we propose that the phosphorus atoms are displaced from their lattice sites by Ge interstitials that are generated during SiGe oxidation. The phosphorus atoms then migrate toward the SiGe–SiO 2 interface through a novel mechanism of hopping between Ge sites as P–Ge split interstitials. Once they reach the interface, they are electrically inactive, potentially in the form of interstitial clusters or as part of the reconstructed interface or oxide.

Thornton, Chappel S.↗
DOE OSTI2025

FCC feasibility studies: Impact of tracker- and calorimeter-detector performance on jet flavor identification and Higgs physics analyses

The ambitious physics program planned for the Future Circular Collider electron-positron phase imposes stringent constraints on detector performance. This study systematically investigates how different detector configurations impact jet flavor identification and their effects on high-profile physics analyses. Using Higgs boson coupling measurements and searches for invisible Higgs decays as benchmarks, we evaluate the sensitivity of these analyses to variations in tracker and calorimeter detector properties. We examine modifications to single-point resolution, material budget, silicon layer placement, and particle identification capabilities, quantifying their effects on flavor-tagging performance. Additionally, we present the first comprehensive study of Higgs-to-invisible decay detection using full detector simulation, providing insights for optimizing detector designs at lepton colliders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Magnetic structure of Fe 16 N 2 determined by polarized neutron diffraction on thin-film samples

Strain-free Fe 16 N 2 thin films were obtained on MgO (001) single-crystal substrates with Cr seed layers. Additionally, x-ray diffraction and transmission electron microscopy confirmed that the film is textured in all three spatial directions with crystallographic orientation determined by epitaxial constraints from the substrate. Average grain size was estimated to be in the range of tens of nanometers. Ten pieces of 40-nm-thick Fe 16 N 2 thin-film samples were stacked together for half-polarized neutron diffraction study at room temperature. A total of six reflections were usable, from which the magnetic structure of Fe 16 N 2 was determined and compared to existing models. Contrary to most electronic structure calculations, the present results suggest that the magnetic moment of Fe atoms at the 8h site is large and larger than that of the 4d site. Our results support the giant magnetization of Fe 16 N 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Unconventional crystal-field splitting in noncentrosymmetric BaTiO 3 thin films

Understanding the crystal-field splitting and orbital polarization in noncentrosymmetric systems such as ferroelectric materials is fundamentally important. In this work, taking BaTiO 3 as a representative material, we investigate titanium crystal-field splitting and orbital polarization in noncentrosymmetric TiO 6 octahedra with resonant x-ray linear dichroism at the Ti L 2,3 edge. The high-quality BaTiO 3 thin films were deposited on DyScO 3 (110) single crystal substrates in a layer-by-layer way by pulsed laser deposition. The reflection high-energy electron diffraction and element specific x-ray absorption spectroscopy were performed to characterize the structural and electronic properties of the films. In sharp contrast to conventional crystal-field splitting and orbital configuration (d xz /d yz < d xy < d 3z 2 -r 2 < d x 2 -y 2 or d xy < d xz /d yz < d x 2 -y 2 < d 3z 2 -r 2 ) expected from compressive or tensile epitaxial strain, respectively, it is revealed that d xz , d yz , and d xy orbitals are nearly degenerate, whereas d 3z 2 -r 2 and d x 2 -y 2 orbitals are split with an energy gap ~100 meV in the epitaxial BaTiO 3 films. We find that the unexpected degenerate orbitals d xz /d yz /d xy result from the competition between the orbital splitting induced by epitaxial strain and that induced by polar distortions of BaTiO 3 films. Our results provide a route to manipulate orbital degree of freedom by switching electric polarization in ferroelectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Direct observation of anisotropic growth of water films on minerals driven by defects and surface tension

Knowledge of the occurrences of water films on minerals is critical for global biogeochemical and atmospheric processes, including element cycling and ice nucleation. The underlying mechanisms controlling water film growth are, however, misunderstood. Using infrared nanospectroscopy, amplitude-modulated atomic force microscopy, and molecular simulations, we show how water films grow from water vapor on hydrophilic mineral nanoparticles. We imaged films with up to four water layers that grow anisotropically over a single face. Growth usually begins from the near edges of a face where defects preferentially capture water vapor. Thicker films produced by condensation cooling completely engulf nanoparticles and form thicker menisci over defects. The high surface tension of water smooths film surfaces and produces films of inhomogeneous thickness. Nanoscale topography and film surface energy thereby control anisotropic distributions and thicknesses of water films on hydrophilic mineral nanoparticles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

INTEGRATED RISK ASSESSMENT OF DIGITAL I&C SAFETY SYSTEMS FOR NUCLEAR POWER PLANTS

Upgrading the existing analog instrumentation and control (I&C) systems to state-of-the-art digital I&C (DI&C) systems provides the foremost means to improve performance and reduce costs for existing light-water reactors (LWRs). However, qualification of digital technologies remains a challenge?especially the issue of software common cause failure (CCF), which has been difficult to address. Existing analyses of CCFs in I&C systems mainly focus on hardware failures. With the application and upgrading of new DI&C systems, software CCFs due to design flaws might become a potential threat to plant safety, considering that most redundancy designs use similar digital platforms or software in their operating and application systems. With complex multi-layer redundancy designs to meet the single failure criterion, these I&C safety systems are of particular concern in U.S. Nuclear Regulatory Commission (NRC) licensing procedures. In 2019, the Risk-Informed Systems Analysis (RISA) Pathway of the U.S. Department of Energy?s (DOE?s) Light Water Reactor Sustainability (LWRS) Program initiated a project to develop a risk assessment strategy for delivering a strong technical basis to support effective, licensable, secure DI&C technologies for digital upgrades/designs. An integrated risk assessment for the DI&C (RADIC) process was proposed for this strategy to identify potential key digital-induced failures, implement reliability analyses of related digital safety I&C systems, and evaluate the unanalyzed sequences introduced by these failures (particularly software CCFs) at the plant level. This paper summarizes these RISA efforts in the risk analysis of safety-related DI& systems at Idaho National Laboratory.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1974

Improved discrimination in photographic density contouring

Density discrimination can be accomplished through use of special photographic contouring material which has two sensitive layers (one negative, one positive) on single support. Process will be of interest to investigators who require finer discrimination of densities of original photograph for purposes such as identification of crops and analysis of energy levels of radiating objects.

Godding, R. A.↗
NASA NTRS1973

The turbulence structure in the plane two-stream mixing layer.

Experimental data on the turbulent structure of free shear layers is examined in incompressible air streams. Both single-point and two-point data are used to examine the large coherent structure of the mixing layer. The use of spatial scales to define this large structure is explored. Application of these scales to modeling of free shear layers to show the similarity of such flows is demonstrated. Comparison of the statistical structure with observations from shadowgraph displays of plane shear layer flows shows good qualitative and quantitative agreement.

Jones, B. G.↗
NASA NTRS1974

Transonic single-mode flutter and buffet of a low aspect ratio wing having a subsonic airfoil shape

Transonic flutter and buffet results obtained from wind-tunnel tests of a low aspect ratio semispan wing model are presented. The tests were conducted to investigate potential transonic aeroelastic problems of vehicles having subsonic airfoil sections. The model employed NACA 00XX-64 airfoil sections in the streamwise direction and had a 14 deg leading edge sweep angle. Aspect ratio, and average thickness were 4.0, 0.35, and 8 percent, respectively. The model was tested at Mach numbers from 0.6 to 0.95 at angles of attack from 0 deg to 15 deg. Two zero lift flutter conditions were found that involved essentially single normal mode vibrations. With boundary layer trips on the model, flutter occurred in a narrow Mach number range centered at about Mach 0.90. The frequency and motion of this flutter were like that of the first normal mode vibration. With the trips removed flutter occurred at a slightly high Mach number but in a mode strongly resembling that of the second normal mode.

Erickson, L. L.↗
NASA NTRS1979

A scheme for computing surface fluxes from mean flow observations

A computational method for estimating turbulent surface stress, sensible heat flux, and humidity flux from mean velocity, temperature, and humidity at a single height in the atmospheric surface layer is presented. The method is based on coupling a Monin-Obukhov similarity profile to a 'force-restore' formulation for the evolution of surface soil temperature to yield the local values of shear stress, heat flux, and surface temperature. In addition to reference-level mean flow properties, the parameters required to implement this method are the thermal heat capacity of the soil, the surface aerodynamic roughness, latitude, solar declination, surface albedo, surface emissivity, and atmospheric transmissivity. Sample calculations are presented for (1) constant atmospheric forcing at the reference level, and (2) variable atmospheric forcing corresponding to Kahle's (1977) measurements of windspeed, air temperature, and radiometer soil surface temperature under dry vegetatively sparse conditions in the Mohave Desert, Calif.

Hoffert, M. I.↗
NASA NTRS1980

Turbulence suppression in free shear flows by controlled excitation

The mechanism of turbulence suppression in the near field of a free shear flow under controlled acoustic excitation is investigated. The near fields of four circular air jets, a plane air jet and a large single-stream plane free air mixing layer with laminar efflux boundary layers were monitored with hot-wire anemometers. The suppression effect is found to occur over the entire frequency range in all the flows studied, with maximal suppression (as much as 80%) at about 400 initial shear layer momentum thicknesses downstream from the exit and for excitation at a Strouhal number of 0.017. Suppression is shown to be a consequence of excitation-induced modification of the shear layer instability mode and the resulting structure, and to occur at the excitation frequency corresponding to the maximally unstable disturbance frequency of the initial free shear layer. Flow visualization reveals the presence of strong, large-scale vortical structures in the unexcited flow, which are weakened and diminished by excitation. It is concluded that excitation produces rapid roll-up and early breakdown of the shear layer, thus inhibiting the formation of energetic large-scale vortices and reducing the large fluctuation intensities caused by the passage and interaction of these vortices.

Zaman, K. B. M. Q.↗
NASA NTRS1989

Nd and Sr isotopic evidence for the origin of tektite material from DSDP site 612 off the New Jersey coast

The Sr and Nd isotopic composition was analyzed for samples from the Late Eocene tektite material from DSDP site 612 off the New Jersey coast, to determine whether these tektites may be assigned to the North-American-tektite group. It was found that the ranges of the Sr-87/Sr-86 and the Nd-143/Nd-144 ratios were much wider than in the 612-tectite material than in the tightly constrained group of North American tektites and microtektites and were significantly different from ratios in other groups of tektites. Results indicate that the DSDP tektites were formed from a chemically and isotopically heterogeneous material, in a regime that was different from that of other groups of tektites. It is suggested that the 612-tectites and the North American tektites were either formed by impacts of several bolides in the same general area or by a single impact event that sampled different layers.

Stecher, O.↗
NASA NTRS1990

A review of reduced Navier-Stokes computations for compressible viscous flows

A reduced form of the Navier-Stokes equations, defined by a single composite of the Euler, boundary layer, and triple deck approximations, is considered for the computation of viscous interacting flows. Global pressure or pseudopotential relaxation methods are integrated with coupled sparse matrix direct solvers or coupled strongly implicit ILU algorithms to efficiently capture sharp shocks and regions of recirculation. Solutions are obtained for a variety of 2D and 3D geometries and for Mach numbers (M) spanning the range from incompressible (M = 0) to supersonic (M = 6) flow.

Rubin, S. G.↗
NASA NTRS1994

Atmospheric effects on the risetime and waveshape of sonic booms

Accurate prediction of human response to sonic booms from proposed HSCT aircraft depends on a knowledge of the waveshape and risetime of the boom at the ground. In previous work, we have developed a numerical technique to predict the combined effects of molecular absorption and finite wave distortion on the sonic boom as it propagates from the aircraft to the top of the turbulent boundary layer. We have more recently developed a scattering center based model to calculate the effects of turbulence on the sonic boom waveform as it propagates through this boundary layer. Calculations have been performed using single scales of turbulence and compared to measurements at Edwards AFB in the late 1960's. A model of the atmosphere involving two scales each for convective and mechanical turbulence has been developed and fit to meteorological data collected during JAPE 2. Scattering calculations employing this model underpredict the number of unperturbed waveforms. In order to develop a more realistic model of the atmosphere, the JAPE 2 meteorological data has been fit to a von Karman spectrum. Results of scattering using this multi-scale model will be presented. The combination of finite wave effects with turbulent scattering predictions includes the principal effects of the atmosphere on the sonic boom from the HSCT.

Raspet, Richard↗