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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Microstructure tuning facilitated photo-efficiency enhancement and environmental benign nature of HfO2/Mo/HfO2 multilayer films

Nano-layered, multilayered ?lms consisting of HfO2(dielectric)/Mo(metal)/HfO2(dielectric), (D/M/D archi-tecture) with controlled layer thickness, chemistry and microstructure were demonstrated for e?cient utiliza-tion of solar energy with well-designated spectral control. The e?ect of Mo metal interlayer on the energy performance and e?ciency of HfO2/Mo/HfO2 multilayer ?lms made by electron-beam deposition onto silicon and glass substrates has been evaluated. The Mo interlayer thickness [Mo(t)] was varied in the range of 5–25 nm while the top/bottom HfO2 layer thickness was kept constant at ~50 nm. Structural, morphological and optical characterization was performed to understand the e?ect of Mo(t) induced microstructure on mechanical dur-ability and optical behavior of the D/M/D multilayer ?lms. Structural studies revealed that D/M/D multilayer ?lms with relatively low Mo(t) were amorphous, while higher Mo(t) induces the amorphous-to-nanocrystalline microstructure transformation, which also induces surface roughening e?ects. The D/M/D multilayer ?lm with Mo(t) = 20 nm, where the nano-columnar morphology of the D-M-D layers are aligned perpendicular to the substrate surface and exhibits the optimum spectral selectivity. Such microstructure and morphological tailoring also facilitates the environmentally friendly (self-cleaning/stain repellent) nature of these multilayer ?lms by the high contact angle (~102°) achieved. Molybdenum interlayer facilitated higher contact angle leads to super-hydrophobic nature of the HfO2/Mo/HfO2 multilayered ?lm surfaces. The low surface roughness values (0.2–0.8 nm), which are primarily due to Mo at the interface, of the HfO2/Mo/HfO2 multilayered ?lms satisfy the general requirements of heat mirror applications. In addition, the microstructure of intermediate Mo layer and HfO2-Mo interfaces signi?cantly control the mechanical properties of D/M/D multilayer ?lms. Optimal me-chanical properties (hardness = 30 GPa, elastic modulus = 312 GPa, wear resistance = 0.094, adhesion strength = 2050 µN) have been obtained for Mo(t) = 20 nm D/M/D multilayer ?lm. The mechanical response strongly supports ?exible and wear resistive nature of HfO2/Mo/HfO2 multilayer ?lms.

Dubey, P↗
DOE OSTI2016

Development and characterization of monolithic multilayer Laue lens nanofocusing optics

We have developed an experimental approach to bond two independent linear Multilayer Laue Lenses (MLLs) together. A monolithic MLL structure was characterized using ptychography at 12 keV photon energy, and we demonstrated 12 nm and 24 nm focusing in horizontal and vertical directions, respectively. Fabrication of 2D MLL optics allows installation of these focusing elements in more conventional microscopes suitable for x-ray imaging using zone plates, and opens easier access to 2D imaging with high spatial resolution in the hard x-ray regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Understanding the Intrinsic Surface Reactivity of Single-Layer and Multilayer PdO(101) on Pd(100)

In this work, we investigated the intrinsic reactivity of CO on single and multilayer PdO(101) grown on Pd(100) using temperature programmed reaction spectroscopy (TPRS) and reflection absorption infrared spectroscopy (RAIRS) experiments as well as density functional theory (DFT) calculations. We find that CO binds more strongly on multilayer than single-layer PdO(101) (~119 vs. 43 kJ/mol), and that CO oxidizes negligibly on single-layer PdO(101) whereas nearly 90% of a saturated layer of CO oxidizes on multilayer PdO(101) during TPRS experiments. RAIRS further shows that CO molecules adsorb on both bridge and atop-Pd cus sites (coordinatively-unsaturated Pd sites) of single-layer PdO(101)/Pd(100), while CO binds exclusively on atop-Pd cus sites of multilayer PdO(101). The DFT calculations reproduce the much stronger binding of CO on multilayer PdO(101) as well as the observed binding site preferences, and reveal that the stronger binding is entirely responsible for the higher CO oxidation activity of multilayer PdO(101)/Pd(100). We show that the O-atom below the Pd cus site, present only on multi-layer PdO(101), modifies the electronic states of the Pd cus atom in a way that enhances the CO-Pd cus bonding. Lastly, we show that a precursor-mediated kinetic model, with energetics determined from the present study, predicts that the intrinsic CO oxidation rates achieved on both single and multilayer PdO(101)/Pd(100) can be expected to exceed the gaseous CO diffusion rate to the surface during steady-state CO oxidation at elevated pressures, even though the intrinsic reaction rates are 4-5 orders of magnitude lower on single layer than on multilayer PdO(101)/Pd(100).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Morphological Evolution of Multilayer Ni/NiO Thin Film Electrodes during Lithiation

Oxide conversion reactions in lithium ion batteries are challenged by substantial irreversibility associated with significant volume change during the phase separation of an oxide into lithia and metal species (e.g., NiO + 2Li + + 2e – → Ni + Li 2 O). In this work, we demonstrate that the confinement of nanometer-scale NiO layers within a Ni/NiO multilayer electrode can direct lithium transport and reactivity, leading to coherent expansion of the multilayer. The morphological changes accompanying lithiation were tracked in real-time by in-operando X-ray reflectivity (XRR) and ex-situ cross-sectional transmission electron microscopy on well-defined periodic Ni/NiO multilayers grown by pulsed-laser deposition. Comparison of pristine and lithiated structures reveals that the nm-thick nickel layers help initiate the conversion process at the interface and then provide an architecture that confines the lithiation to the individual oxide layers. XRR data reveal that the lithiation process starts at the top and progressed through the electrode stack, layer by layer resulting in a purely vertical expansion. Longer term cycling showed significant reversible capacity (~800 mA h g –1 after ~100 cycles), which we attribute to a combination of the intrinsic bulk lithiation capacity of the NiO and additional interfacial lithiation capacity. These observations provide new insight into the role of metal/metal oxide interfaces in controlling lithium ion conversion reactions by defining the relationships between morphological changes and film architecture during reaction.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Lithiation of multilayer Ni/NiO electrodes: criticality of nickel layer thicknesses on conversion reaction kinetics

X-ray reflectivity and transmission electron microscopy (TEM) were used to characterize the morphological changes in thin film electrodes with alternating Ni and NiO layers during lithiation as a function of the Ni buffer layer thickness. Complete lithiation of the active NiO layers occurs only when the thickness of the Ni/NiO bilayers are less than 75 Å – a threshold value that is determined by the sum of the Ni quantity in the Ni/NiO bilayer of the multilayer stack. Thicker Ni/NiO bilayers present a kinetic barrier for lithium ion diffusion inside the stack resulting in partial lithiation of the multilayer electrodes in which only the top NiO layer lithiates. Lithiation of NiO layers in a multilayer stack also leads to an interface-specific reaction that is observed to increase the thicknesses of adjacent Ni layers by 3–4 Å and is associated with the formation of a low-density Li 2 O layer, corresponding to an interfacially-driven phase separation of the NiO. Rate dependent cyclic voltammetry studies reveal a linear relation between the peak current and scan rate suggesting that the lithiation kinetics are controlled by charge transfer resistance at the liquid–solid interface.

25 ENERGY STORAGE↗
DOE OSTI2019

Initial assessment of multilayer silicon detectors for hard X-ray imaging

Silicon detectors with lower material budget, ultrafast readout and radiation hardness are under developments. These unique features make pixelized silicon sensors a good option for hard X-ray imaging. To verify the performance of spatial resolution and energy sensitivity of silicon sensors to hard X-rays, a two layer setup of Pixelink PL-D725MU sensors has been tested at the Argonne National Laboratory Advanced Photon Source (APS) ID-10 sector with 29.2 keV high photon flux (4.5 x 10(8) to 4.5 x 10(10) photons per second) X-rays. Better than 3 mu m spatial resolution and clear energy characterization have been achieved by both layers. Commercial CMOS sensors with superior spatial resolution could be used for phase contrast imaging in current synchrotrons. These studies pave the path for future multilayer ultrafast silicon sensor development with ns to sub-ns readout speeds in hard X-ray imaging at synchrotrons and XFEL beamlines.

Hard X-ray imaging↗
DOE OSTI2018

Strain partition and rupture analysis of notched tensile multilayered steel specimens

Highlights: • In situ SEM tensile experiments were performed to investigate the fracture processes. • In situ synchrotron x-ray diffraction were carried out to study the microscopic deformation in MLS steel. • The changing trends of the strain in the austenite layer and martensitic layer have been revealed. - Abstract: Multilayered steel composites consisting of alternating martensitic and austenite layers were successfully fabricated with a combination of high strength and ductility. In situ SEM tensile experiments were performed to investigate the fracture processes. Results indicated that the martensitic layer distributed between two ductile austenite layers has better deformation ability, and the dimple fracture mode dominated the fracture of the whole specimen. In situ synchrotron microbeam X-ray diffraction experiments were carried out to study the microscopic deformation in austenitic layer and martensitic layer ahead of notch root under incremental tensile loading. Results indicated that for austenite layer, the maximum strain is located in the middle of the layer at the lower applied load. When at the higher applied load, larger strain is concentrated on the notch root. For martensitic layer, uniform strain is distributed at the region at the lower applied load, with increasing the applied load, small strain appears in the middle of martensitic layer. However, the variation in the strain in the martensitic layer is relatively smaller, which is actually affected by both the notch and the ferrite content in the martensitic layer. The changing trends of the strain in the austenite layer and martensitic layer can still show the better combination of brittle martensitic phase and ductile austenite phase.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Chemical-free n-type and p-type multilayer-graphene transistors

Here, a single-step doping method to fabricate n- and p-type multilayer graphene (MG) top-gate field effect transistors (GFETs) is demonstrated. The transistors are fabricated on soda-lime glass substrates, with the n-type doping of MG caused by the sodium in the substrate without the addition of external chemicals. Placing a hydrogen silsesquioxane (HSQ) barrier layer between the MG and the substrate blocks the n-doping, resulting in p-type doping of the MG above regions patterned with HSQ. The HSQ is deposited in a single fabrication step using electron beam lithography, allowing the patterning of arbitrary sub-micron spatial patterns of n- and p-type doping. When a MG channel is deposited partially on the barrier and partially on the glass substrate, a p-type and n-type doping profile is created, which is used for fabricating complementary transistors pairs. Unlike chemically doped GFETs in which the external dopants are typically introduced from the top, these substrate doped GFETs allow for a top gate which gives a stronger electrostatic coupling to the channel, reducing the operating gate bias. Overall, this method enables scalable fabrication of n- and p-type complementary top-gated GFETs with high spatial resolution for graphene microelectronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Analysis of Multilayer Devices for Superconducting Electronics by High-Resolution Scanning Transmission Electron Microscopy and Energy Dispersive Spectroscopy

We used a focused ion beam to obtain cross-sectional specimens from both magnetic multilayer and Nb/Al-AlOx/Nb Josephson junction devices for characterization by scanning transmission electron microscopy (STEM) and energy dispersive X-ray spectroscopy (EDX). An automated multivariate statistical analysis of the EDX spectral images produced chemically unique component images of individual layers within the multilayer structures. STEM imaging elucidated distinct variations in film morphology, interface quality, and/or etch artifacts that could be correlated to magnetic and/or electrical properties measured on the same devices.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

From Isolated Ions to Multilayer Functional Materials Using Ion Soft Landing

The ability to deposit intact polyatomic ions with well-defined composition, charge state, and kinetic energy onto surfaces makes preparative mass spectrometry, also called ion soft-landing, particularly attractive for preparing uniform molecular and ionic layers. Early studies characterized structures, charge states, and reactivity of sparsely distributed soft-landed species. Recent development of high-flux ionization sources has opened up new opportunities for the precisely-controlled preparation of both two-dimensional assemblies and three-dimensional multilayer architectures using ion soft-landing. Previously unknown phenomena have been uncovered following deposition of large numbers of ions onto supports thereby opening several exciting research directions in this field. Furthermore, faster ion deposition has enabled fabrication of novel functional devices. This review discusses important phenomena and highlights key developments pertaining to preparation of well-defined interfaces for studies in energy storage, catalysis, soft materials, and biology.

Laskin, Julia↗
DOE OSTI2024

Generalized Brunauer–Emmett–Teller Isotherm for Mixed-Gas Multilayer Adsorption Equilibria

Here, this work presents a rigorous thermodynamic framework to calculate mixed-gas multilayer adsorption equilibria from single-component isotherms and vapor–liquid equilibria. Named the generalized Brunauer–Emmett–Teller (gBET) isotherm, the newly formulated isotherm considers adsorbent surface heterogeneity, competitive adsorption on the monolayer, condensation–evaporation on the subsequent layers, and adsorbed phase nonideality for the monolayer and the subsequent layers. The monolayer adsorbed phase nonideality is tracked by using an area-based adsorption nonrandom two-liquid activity coefficient model. The adsorbed phase composition and corresponding nonideality in the subsequent layers are calculated at the dew point condition of the mixed gas with either an equation of state or an activity coefficient model for the vapor–liquid equilibria. The proposed model is validated with six single and three binary multilayer adsorption equilibrium systems, and the model results are compared against those from the classical BET isotherm for single-component adsorption and ideal adsorbed solution theory for mixed-gas adsorption equilibria.

09 BIOMASS FUELS↗
DOE OSTI2023

Influence of defects on the femtosecond laser damage resistance of multilayer dielectric gratings

Multilayer dielectric (MLD) gratings with high diffraction efficiency and a high laser-induced damage (LID) threshold for pulse compressors are key to scaling the peak and average power of chirped pulse amplification lasers. However, surface defects introduced by manufacturing, storage, and handling processes can reduce the LID resistance of MLD gratings and impact the laser output. The underlying mechanisms of such defect-initiated LID remain unclear, especially in the femtosecond regime. In this Letter, we model dynamic processes in interactions of a 20-fs near-infrared (NIR) laser pulse and a MLD grating design in the presence of cylindrically symmetrical nodules and particle contaminants and cracks at the surface. Utilizing a dynamic model based on a 2D finite difference in time domain (FDTD) field solver coupled with photoionization, electron collision, and refractive index modification, we study the simulation results for the damage site distribution initiated by defects of various types and sizes and its impact on the LID threshold of the grating design.

Zhang, Simin (ORCID:0000000174948230)↗
DOE OSTI2017

Nano-indentation and laser-induced damage testing in optical multilayer-dielectric gratings [Nanomechanics and laser-induced damage in optical multilayer dielectric gratings]

Here, we demonstrate how a nanomechanical test can be used to generate metrics to complement laser-induced–damage testing (LIDT) measurements and show that differences in optical performance of the gratings (arising from changes in cleaning process and/or fabrication methods) can be related to their mechanical reliability. Data are presented on LIDT measurements in diffractive gratings of silica deposited on optical multilayers. The nano-indentation response of the diffraction gratings is measured in a new mode that allows for the extraction of a measurable metric characterizing the brittleness of the gratings, as well as their ductility. We show that lower LIDT’s are positively correlated with an increased grating brittleness, and therefore identify a nanomechanical approach to describe LIDT’s. We present extensive numerical simulations of nano-indentation tests and identify different deformation modes including stretching, shear concentration, and bending as precursors to mechanical failure in the nano-indentation test. The effects of geometrical inhomogeneities on enhanced stress generation in these gratings are specifically examined and addressed.

36 MATERIALS SCIENCE↗