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At least 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

A Problem of Axisymmetric Torsion of a Multilayer Plate with Elastic Links between the Layers

By using the method of compliance functions and the Hankel transformation of the first order, we propose a procedure for the solution of the problem of torsion of a multilayer plate with elastic links between the layers. Two auxiliary functions connected with the transforms of stresses and displacements at the points of the top boundary of the layer are introduced for each layer. The recurrence relations for the auxiliary functions and the compliance functions of neighboring layers of the plate are constructed. For a two-layer plate, we analyze the influence of the coefficients of elastic links and the geometric and mechanical parameters of layers on the distribution of stresses at points of the common boundary of the layers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Effects of Transition Layer on Bending Resistance in Copper-Clad Aluminum Composite Casting

The performance of the transition layer in a Cu/Al composite casting directly affects the quality of subsequent plastic deformation processing; however, there are no universal or standardized measurement indices for the performance of the transition layer. In this study, Cu/Al composite castings were prepared using the pouring aluminum method, and the resulting solidification microstructures on the bending resistance were investigated. The results of this study lay a theoretical foundation for the development of the plastic processing technologies of these composite castings. A thinner transition layer in the Cu/Al composite casting led to improved bending resistance. In addition, for a fixed total thickness of the transition layer, the bending resistance was mainly controlled by the γ/β interface and β + eutectic (α + β) microstructure, and the thickness of the γ phase had a negligible effect on the bending resistance. The γ/β interface cracked first when the transition layer bore the tensile and shear stress during the bending process, which resulted in the transition layer easily separating from the copper. The bending resistance of the transition layer can be feasibly judged by measuring the bending angle of the specimen tip, which can be easily performed when the specimen bends toward the aluminum direction, suggesting that our proposed method has considerable practical significance.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Deformation Mechanism Map of Cu/Nb Nanoscale Metallic Multilayers as a Function of Temperature and Layer Thickness

The mechanical properties and deformation mechanisms of Cu/Nb nanoscale metallic multilayers (NMMs) manufactured by accumulative roll bonding are studied at 25°C and 400°C. Cu/Nb NMMs with individual layer thicknesses between 7 nm and 63 nm were tested by in situ micropillar compression inside a scanning electron microscope. Yield strength, strain-rate sensitivities and activation volumes were obtained from the pillar compression tests. The deformed micropillars were examined under scanning and transmission electron microscopy in order to examine the deformation mechanisms active for different layer thicknesses and temperatures. The paper suggests that room temperature deformation was determined by dislocation glide at larger layer thicknesses and interface-related mechanisms at the thinner layer thicknesses. The high-temperature compression tests, in contrast, revealed superior thermo-mechanical stability and strength retention for the NMMs with larger layer thicknesses with deformation controlled by dislocation glide. A remarkable transition in deformation mechanism occurred as the layer thickness decreased, to a deformation response controlled by diffusion processes along the interfaces, which resulted in temperature-induced softening. Finally, a deformation mechanism map, in terms of layer thickness and temperature, is proposed from the results obtained in this investigation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The exceedingly strong two-dimensional ferromagnetism in bi-atomic layer SrRuO 3 with a critical conduction transition

In recent years, few-layer or even monolayer ferromagnetic materials have drawn a great deal of attention due to the promising integration of two-dimensional (2D) magnets into next-generation spintronic devices. The SrRuO 3 monolayer is a rare example of stable 2D magnetism under ambient conditions, but only weak ferromagnetism or antiferromagnetism has been found. The bi-atomic layer SrRuO3 as another environmentally inert 2D magnetic system has been paid less attention heretofore. Here we study both the bi-atomic layer and monolayer SrRuO 3 in (SrRuO 3 ) n /(SrTiO 3 ) m (n = 1, 2) superlattices in which the SrTiO 3 serves as a non-magnetic and insulating space layer. Although the monolayer exhibits arguably weak ferromagnetism, we find that the bi-atomic layer exhibits exceedingly strong ferromagnetism with a T c of 125 K and a saturation magnetization of 1.2 μ B /Ru, demonstrated by both superconducting quantum interference device (SQUID) magnetometry and element-specific X-ray circular dichroism. Moreover, in the bi-atomic layer SrRuO 3 , we demonstrate that random fluctuations and orbital reconstructions inevitably occurring in the 2D limit are critical to the electrical transport, but are much less critical to the ferromagnetism. Our study demonstrates that the bi-atomic layer SrRuO 3 is an exceedingly strong 2D ferromagnetic oxide which has great potentials for applications of ultracompact spintronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Mixing and trapping of dissolved CO 2 in deep geologic formations with shale layers

For dissolution trapping, the spatial variability of the geologic properties of naturally complex storage formations can significantly impact flow patterns and storage mechanisms of dissolved CO 2 . The significance of diffusive mixing that occurs in low permeability layers embedded between relatively higher permeability materials was highlighted by Agartan et al. (2015) using a highly controlled laboratory experimental study on trapping of dissolved CO 2 in multilayered systems. In this paper, we present a numerical modeling study on the impacts of low permeability layers on flow and storage of dissolved CO 2 in realistic field-scale settings. The simulator of variable-density flow used in this study was first verified using the experimental data in Agartan et al. (2015) to capture the observed processes. The simulator was then applied to a synthetic, field-scale multilayered system, with 19 sensitivity cases having variable permeability and thickness of the shale layers as well as the source strength and geometry of the source zone of dissolved CO 2 . Simulation results showed that the presence of continuous shale layers in the storage system disrupts the convective mixing by enhancing lateral spreading of dissolved CO 2 in sandstone layers and retarding the vertical mixing of dissolved CO 2 . The effectiveness of trapping of dissolved CO 2 depends on the physical properties of the shale layers and configurations of the source zone. The comparison to homogeneous cases with effective vertical permeability shows that it is important to capture these continuous thin shale layers in a storage formation and include them in the models to enhance dissolution trapping.

58 GEOSCIENCES↗
DOE OSTI2020

An inelastic homogenization framework for layered materials with planes of weakness

Many geologic materials have a composite structure, in which macroscopic mechanical behavior is determined by the properties, shape, and heterogeneous distribution of individual constituents. In particular, sedimentary rocks commonly exhibit a layered microstructure, with distinct bedding planes that can also form planes of weakness. In this work, we present a homogenization framework for modeling inelastic layered media. The proposed constitutive model allows for distinct micro-constitutive laws for each layer, explicit representation of layer distributions, as well as incorporation of imperfect bonding at the interface between adjacent layers. No a priori assumptions are needed regarding the specific constitutive models used for the layers and interfaces, providing significant modeling flexibility. The overall framework provides a simple and physically-motivated way of defining anisotropic material behavior as an emergent property of the layered microstructure. The model is calibrated using triaxial and true-triaxial experimental data to demonstrate its ability to describe anisotropic deformation and multiple modes of failure.

58 GEOSCIENCES↗
DOE OSTI2024

Optical image analysis for graphene layer detection: Enhanced green channel methodology

Graphene, a material of increasing research interest, requires accurate layer identification due to its sensitivity to layer count. Existing methods for graphene layer number identification are either time-consuming or of low accuracy, with high-accuracy methods often requiring expensive processes. This paper aims to address this challenge by proposing a cost-effective and efficient approach. Specifically, the current work highlights only the green channel—one of the three primary color channels (red, green, blue) that make up an optical image—from images of exfoliated graphene flakes for layer count identification. A linear regression is performed between pixel position and substrate green channel value, and this effect is subtracted from the entire optical image to mitigate background effects. By storing the range of green channel values for each type of flake (monolayer, bilayer, or tri-layer) based on a few images, we establish thresholds for identifying different types of layers in a particular setup. Additionally, our methodology allows for flexible threshold tuning using a single reference image, enabling adjustment to changes in detection setup such as illumination level, magnification, or microscope used. Finally, demonstrating high accuracy and flexibility, this methodology presents a suitable technique for graphene layer number identification without the need for large datasets or expensive instruments.

2D materials↗
DOE OSTI2021

Layer dissolution in accumulative roll bonded bulk Zr/Nb multilayers under heavy-ion irradiation

In this work, the heavy-ion irradiation behavior of bulk zirconium-niobium multilayered composites was investigated up to large doses. Multilayers with an average individual layer thicknesses ranging between 15 and 80 nm were synthesized by accumulative roll bonding technique. The irradiation was performed with a defocused 7 MeV Zr 2+ ion beam at 500 °C. The maximum dose achieved was ~145 dpa at the depth of ~1.5 μm from the irradiated surface. Sub-surface microstructural damage and the chemical redistribution were characterized by transmission electron microscopy and energy dispersive spectroscopy, respectively. Irrespective of the layer thicknesses, the irradiation condition caused layer instability and the extent of damage varied with the dose levels. Doses lesser than ~60 dpa caused layer fragmentation and greater than ~60 dpa resulted in layer dissolution. The chemical mixing of layers occur to a depth of ~1 μm, consuming multiple bi-layer periods. Despite the elevated irradiation temperature (500 °C) and a slightly positive heat of mixing (+6 kJ/mol), no phase separation was observed and single-phase was retained in the mixed region. The results demonstrate that chemical mixing was facilitated by the liquid phase miscibility of Zr and Nb, which propelled the interdiffusion within the thermal spikes towards mixing.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Single and multi-layered core-shell structures based on ZnO nanorods obtained by aerosol assisted chemical vapor deposition

Core–shell nanorod structures were prepared by a sequential synthesis using an aerosol assisted chemical vapor deposition technique. Several samples consisting of ZnO nanorods were initially grown over TiO{sub 2} film-coated borosilicate glass substrates, following the synthesis conditions reported elsewhere. Later on, a uniform layer consisting of individual Al, Ni, Ti or Fe oxides was grown onto ZnO nanorod samples forming the so-called single MO{sub x}/ZnO nanorod core–shell structures, where MO{sub x} was the metal oxide shell. Additionally, a three-layer core–shell sample was developed by growing Fe, Ti and Fe oxides alternately, onto the ZnO nanorods. The microstructure of the core–shell materials was characterized by grazing incidence X-ray diffraction, scanning and transmission electron microscopy. Energy dispersive X-ray spectroscopy was employed to corroborate the formation of different metal oxides. X-ray diffraction outcomes for single core–shell structures showed solely the presence of ZnO as wurtzite and TiO{sub 2} as anatase. For the multi-layered shell sample, the existence of Fe{sub 2}O{sub 3} as hematite was also detected. Morphological observations suggested the existence of an outer material grown onto the nanorods and further microstructural analysis by HR-STEM confirmed the development of core–shell structures in all cases. These studies also showed that the individual Al, Fe, Ni and Ti oxide layers are amorphous; an observation that matched with X-ray diffraction analysis where no apparent extra oxides were detected. For the multi-layered sample, the development of a shell consisting of three different oxide layers onto the nanorods was found. Overall results showed that no alteration in the primary ZnO core was produced during the growth of the shells, indicating that the deposition technique used herein was and it is suitable for the synthesis of homogeneous and complex nanomaterials high in quality and purity. In addition, materials absorptance determined from the total transmittance and reflectance spectra revealed a broader absorption interval including visible light, indicating potential uses of these nanostructures on solar energy appliances. - Graphical abstract: Display Omitted - Highlights: • Uniform ZnO nanorods (core)–metal oxide (shell) were obtained sequentially by AACVD. • Shells were structured of homogeneous single or multi-layered non-mixed metal oxides. • ZnO nanorod core was preserved during the shell synthesis. • Optical absorptance revealed visible interval absorption for FeO{sub x} shell samples. • Materials can be suitable for photocatalytic or photovoltaic applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2012

Electronic absorption band broadening and surface roughening of phthalocyanine double layers by saturated solvent vapor treatment

Variations in the electronic absorption (EA) and surface morphology of three types of phthalocyanine (Pc) thin film systems, i.e. copper phthalocyanine (CuPc) single layer, zinc phthalocyanine (ZnPc) single layer, and ZnPc on CuPc (CuPc/ZnPc) double layer film, treated with saturated acetone vapor were investigated. For the treated CuPc single layer film, the surface roughness slightly increased and bundles of nanorods were formed, while the EA varied little. In contrast, for the ZnPc single layer film, the relatively high solubility of ZnPc led to a considerable shift in the absorption bands as well as a large increase in the surface roughness and formation of long and wide nano-beams, indicating a part of the ZnPc molecules dissolved in acetone, which altered their molecular stacking. For the CuPc/ZnPc film, the saturated acetone vapor treatment resulted in morphological changes in mainly the upper ZnPc layer due to the significantly low solubility of the underlying CuPc layer. The treatment also broadened the EA band, which involved a combination of unchanged CuPc and changed ZnPc absorption.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Role of ferroelectric/ferromagnetic layers on the ferroelectric properties of magnetoelectric composite films derived by chemical solution deposition

Highlights: • Multiferroic composite films with different components were prepared. • Individual layer effect on the properties of composite films was studied. • BTO-CFO film shows bigger ferroelectric polarization than BTO-BFO film. • Leakage current curves show BTO-CFO film has the smallest leakage current. • Leakage current is dominated by the space-charges-limited mechanisms. - Abstract: Composite thin films with BiFeO{sub 3} (BFO), CoFeO{sub 4} (CFO) and/or BaTiO{sub 3} (BTO) layers as the components are fabricated via CSD method. XRD and Raman patterns show all the composite films can be indexed to perovskite and spinel structures. Except the interfaces between BTO and CFO layers, the other two-phase interfaces can be clearly observed. Interestingly, the BTO-CFO film has bigger polarization than BTO-BFO, especially the thickness of CFO layer is smaller than the BFO layer, implying the ferromagnetic layer has a significant impact on the ferroelectric properties of the composite films, which is too thin to be fully polarized. The variation of leakage currents show BTO-CFO film has the smallest value, corroborating the results of ferroelectric measurements. The leakage current is dominated by the space-charges-limited mechanisms according to the fitting results, and the oxygen vacancies in the BFO layers play an important role for the variations of E{sub SCL} and E{sub TFL} voltages.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Two-layer cathode architecture for high-energy density and high-power density solid state batteries

Solid state batteries with high-energy density and high-power density require the development of thick and energy dense cathodes. Structured cathode electrodes with a double-layer configuration were enabled using a freeze tape casting technique. A bottom dense layer was utilized to enhance the energy density whereas a top porous layer with vertically aligned walls was utilized to enhance the power density. The porous structure of the power layer was achieved by ice templating this layer on top of the densified energy layer of the cathode. This configuration was found to better utilize the active material of the cathodes and was optimized using numerical simulation and computer modeling. Cells with Li metal anode and LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) at approximately 5 and 20 mg/cm 2 were cycled at 70 °C at different C-rates. Poly(ethylene oxide) (PEO) with lithium bis-trifluoromethanesulfonimide (LiTFSI) was used for the catholyte and the solid-state electrolyte. The structured cathodes exhibited more than double capacity values as well as better Coulombic efficiency compared to non-structured (single-layer) thick cathodes. In conclusion, synchrotron X-ray tomography and scanning electron microscopy were used to characterize the microstructure of the cathodes.

25 ENERGY STORAGE↗
DOE OSTI2020

Comparison of Metal Adhesion Layers for Au Films in Thermoplasmonic Applications

If thermoplasmonic applications such as heat-assisted magnetic recording are to be commercially viable, it is necessary to optimize both thermal stability and plasmonic performance of the devices involved. In this work, a variety of different adhesion layers were investigated for their ability to reduce dewetting of sputtered 50 nm Au films on SiO 2 substrates. Traditional adhesion layer metals Ti and Cr were compared with alternative materials of Al, Ta, and W. Film dewetting was shown to increase when the adhesion material diffuses through the Au layer. An adhesion layer thickness of 0.5 nm resulted in superior thermomechanical stability for all adhesion metals, with an enhancement factor of up to 200X over 5 nm thick analogues. The metals were ranked by their effectiveness in inhibiting dewetting, starting with the most effective, in the order Ta > Ti > W > Cr > AI. Finally, the Au surface-plasmon polariton response was compared for each adhesion layer, and it was found that 0.5 nm adhesion layers produced the best response, with W being the optimal adhesion layer material for plasmonic performance.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Degradation by Kinking in Layered Cathode Materials

Layered cathode materials are commonly used in lithium and sodium ion batteries, but they are prone to degradation under electrochemical cycling during battery operation. Here we report a new type of degradation mechanism through the electrochemically induced mechanical buckling and delamination cracking of intercalation layers in a P2 Na 0.7 -Ni 0.3 Mn 0.6 Co 0.1 O 2 (Na-NMC) cathode material. Kinks form in the delaminated layers due to severe local bending, and each kink consists of a vertical array of dislocations, resulting from an easy slip between transition metal oxide layers. In situ mechanical compression experiments directly reveal the kink formation due to strong mechanical anisotropy parallel and perpendicular to the intercalation layers in single-crystal Na-NMC. In situ electrochemical experiments indicate that kinks form during the desodiation process. Our results unveil a new mechanism of electrochemically induced mechanical degradation stemming from weak interlayer bonding in layered cathode materials. In conclusion, this work has broad implications for the mitigation of degradation associated with irreversible interlayer slip in layered cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2024

Hybrid Molecular Beam Epitaxy for Single-Crystalline Oxide Membranes with Binary Oxide Sacrificial Layers

The advancement in thin-film exfoliation for synthesizing oxide membranes has led to possibilities for creating artificially assembled heterostructures with structurally and chemically incompatible materials. The sacrificial layer method is a promising approach to exfoliate as-grown films from a compatible material system, allowing for their integration with dissimilar materials. Nonetheless, the conventional sacrificial layers often possess an intricate stoichiometry, thereby constraining their practicality and adaptability, particularly when considering techniques such as molecular beam epitaxy (MBE). This is where easy-to-grow binary alkaline-earth-metal oxides with a rock salt crystal structure are useful. These oxides, which include (Mg, Ca, Sr, Ba)O, can be used as a sacrificial layer covering a much broader range of lattice parameters compared to conventional sacrificial layers and are easily dissolvable in deionized water. In this study, we show the epitaxial growth of the single-crystalline perovskite SrTiO 3 (STO) on sacrificial layers consisting of crystalline SrO, BaO, and Ba 1–x Ca x O films, employing a hybrid MBE method. Our results highlight the rapid (≤5 min) dissolution of the sacrificial layer when immersed in deionized water, facilitating the fabrication of millimeter-sized STO membranes. Using high-resolution X-ray diffraction, atomic-force microscopy, scanning transmission electron microscopy, impedance spectroscopy, and scattering-type near-field optical microscopy (SNOM), we demonstrate single-crystalline STO membranes with bulk-like intrinsic dielectric properties. The employment of alkaline earth metal oxides as sacrificial layers is likely to simplify membrane synthesis, particularly with MBE, thus expanding the research and application possibilities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides

Hybrid halide double perovskites are a class of compounds attracting growing interest due to their richness of structure and property. Two-dimensional (2D) derivatives of hybrid double perovskites are formed by the incorporation of organic spacer cations into three-dimensional (3D) double perovskites. Here, we report a series of seven new layered double perovskite halides with propylammonium (PA), octylammonium (OCA), and 1,4-butyldiammonium (BDA) cations. The general formulas of the compounds are A m M I M III X 8 (single-layered Ruddlesden–Popper type with m = 4 and A = PA or OCA, and single-layered Dion–Jacobson type with m = 2 and A = BDA, M I = Ag, M III = In or Bi, X = Cl or Br) and PA 2 Cs M I M III Br 7 (bilayered, with M I = Ag, M III = In or Bi). These families of compounds demonstrate significant versatility, with tunable layer thickness, the ability to vary the interlayer spacing, and the ability to selectively tune the band gap by varying the M I and M III cations along with the halide anions. The band gap of the single-layered materials varies from 2.41 eV for PA 4 AgBiBr 8 to 3.96 eV for PA 4 AgInCl 8 . Photoluminescent emission spectra of the layered double perovskites at low-temperature (100 K) are reported, and density functional theory electronic structure calculations are presented to understand the nature of the band gap evolution. The development of new structural and compositions in layered double perovskite halides enhances the understanding of structure–property relations in this important family.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Realism of Lagrangian Large Eddy Simulations Driven by Reanalysis Meteorology: Tracking a Pocket of Open Cells Under a Biomass Burning Aerosol Layer

An approach to drive Lagrangian large eddy simulation (LES) of boundary layer clouds with reanalysis data is presented and evaluated using satellite (Spinning Enhanced Visible and Infrared Imager, SEVIRI) and aircraft (Cloud-Aerosol-Radiation Interactions and Forcing, CLARIFY) measurements. The simulations follow trajectories of the boundary layer flow. They track the formation and evolution of a pocket of open cells (POC) underneath a biomass burning aerosol layer in the free troposphere. The simulations reproduce the evolution of observed stratocumulus cloud morphology, cloud optical depth, and cloud drop effective radius, and capture the timing of the cloud state transition from closed to open cells seen in the satellite imagery on the three considered trajectories. They reproduce a biomass burning aerosol layer identified by the in-situ aircraft measurements above the inversion of the POC. Entrainment of aerosol from the biomass burning layer into the POC is limited to the extent of having no impact on cloud- or boundary layer properties, in agreement with the CLARIFY observations. The two-moment bin microphysics scheme used in the simulations reproduces the in-situ cloud microphysical properties reasonably well. A two-moment bulk microphysics scheme reproduces the satellite observations in the non-precipitating closed-cell state, but overestimates liquid water path and cloud optical depth in the precipitating open-cell state due to insufficient surface precipitation. A boundary layer cold and dry bias occurring in LES can be counteracted by reducing the grid aspect ratio and by tightening the large scale wind speed nudging towards the surface.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Magnetically confined surface and bulk excitons in a layered antiferromagnet

The discovery of two-dimensional van der Waals magnets has greatly expanded our ability to create and control nanoscale quantum phases. A unique capability emerges when a two-dimensional magnet is also a semiconductor that features tightly bound excitons with large oscillator strengths that fundamentally determine the optical response and are tunable with magnetic fields. Here, in this study, we report a previously unidentified type of optical excitation-a magnetic surface exciton-enabled by the antiferromagnetic spin correlations that confine excitons to the surface of CrSBr. Magnetic surface excitons exhibit stronger Coulomb attraction, leading to a higher binding energy than excitons confined in bulk layers, and profoundly alter the optical response of few-layer crystals. Distinct magnetic confinement of surface and bulk excitons is established by layer- and temperature-dependent exciton reflection spectroscopy and corroborated by ab initio many-body perturbation theory calculations. By quenching interlayer excitonic interactions, the antiferromagnetic order of CrSBr strictly confines the bound electron-hole pairs within the same layer, regardless of the total number of layers. Our work unveils unique confined excitons in a layered antiferromagnet, highlighting magnetic interactions as a vital approach for nanoscale quantum confinement, from few layers to the bulk limit.

36 MATERIALS SCIENCE↗