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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Quantitative first-principles theory of interface absorption in multilayer heterostructures

The unique chemical bonds and electronic states of interfaces result in optical properties that are different from those of the constituting bulk materials. In the nanoscale regime, the interface effects can be dominant and impact the optical response of devices. Using density functional theory (DFT), the interface effects can be calculated, but DFT is computationally limited to small systems. In this paper, we describe a method to combine DFT with macroscopic methodologies to extract the interface effect on absorption in a consistent and quantifiable manner. The extracted interface effects are an independent parameter and can be applied to more complicated systems. Finally, we demonstrate, using NiSi 2 /Si heterostructures, that by varying the relative volume fractions of interface and bulk, we can tune the spectral range of the heterostructure absorption.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Ab initio modeling of zincblende AlN layer in Al-AlN-TiN multilayers

An unusual growth mechanism of metastable zincblende AlN thin film by diffusion of nitrogen atoms into Al lattice is established. Using first-principles density functional theory, we studied the possibility of thermodynamic stability of AlN as a zincblende phase due to epitaxial strains and interface effect, which fails to explain the formation of zincblende AlN. We then compared the formation energetics of rocksalt and zincblende AlN in fcc Al through direct diffusion of nitrogen atoms to Al octahedral and tetrahedral interstitials. The formation of a zincblende AlN thin film is determined to be a kinetically driven process, not a thermodynamically driven process.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Diagnosis of Factors Impacting Yield in Multilayer Devices for Superconducting Electronics

The ability to localize defects in order to understand failure mechanisms in complex superconducting electronics circuits, while operating at low temperature, does not yet exist. Here, this work applies thermally-induced voltage alteration (TIVA), to a biased superconducting electronics (SCE) circuit at ambient temperature. TIVA is a commonly used, laser-based failure analysis technique developed for silicon-based microelectronics. The non-operational circuit consisted of an arithmetic logic unit (ALU) in a high-frequency test bed designed at HYPRES and fabricated by MIT Lincoln Laboratory using their SFQ5ee process. Localized TIVA signals were correlated with reflected light images at the surface, and these sites were further investigated by scanning electron microscopy imaging of focused ion-beam cross-sections. The areas investigated, where prominent TIVA signals were observed, showed seams in the Nb wiring layers at contacts to Josephson junctions or inductors and/or disrupted junction morphologies. Finally, these results suggest that the TIVA technique can be used at ambient temperature to diagnose fabrication defects that may cause low temperature circuit failure.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of Cr Spacer on Structural and Magnetic Properties of Fe/Gd Multilayers

Here, we analyze the role of a thin Cr spacer between Fe and Gd layers on the structure and magnetic properties of a [Fe(35 Å)/Cr(t Cr )/Gd(50 Å)/Cr(t Cr )] 12 superlattice. Samples without the Cr spacer (t Cr = 0) and with a thin spacer (t Cr = 4 Å) are investigated using X-ray diffraction, polarized neutron and resonance X-ray magnetic reflectometry, static magnetometry, magneto-optical Kerr effect, and ferromagnetic resonance techniques. Magnetic properties are studied experimentally in a wide temperature range 4–300 K and analyzed theoretically using numerical simulation on the basis of the mean-field model. We show that a reasonable agreement with the experimental data can be obtained considering temperature dependence of the effective field parameter in gadolinium layers. In conclusion, the analysis of the experimental data shows that besides a strong reduction of the antiferromagnetic coupling between Fe and Gd, the introduction of Cr spacers into Fe/Gd superlattice leads to modification of both structural and magnetic characteristics of the ferromagnetic layers.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Multilayer capacitors, method for making multilayer capacitors

The invention provides a stacked capacitor configuration comprising subunits each with a thickness of as low as 20 microns. Also provided is combination capacitor and printed wire board wherein the capacitor is encapsulated by the wire board. The invented capacitors are applicable in micro-electronic applications and high power applications, whether it is AC to DC or DC to AC, or DC to DC.

42 ENGINEERING↗
DOE OSTI2018

Influence of interfaces on the phonon density of states of nanoscale metallic multilayers: Phonon confinement and localization

Here, isotope-selective 57 Fe nuclear resonant inelastic x-ray scattering (NRIXS) measurements and atomic-layer resolved density functional theory (DFT) calculations were used to investigate the effect of interfaces on the vibrational (phonon) density of states (VDOS) of (001)-oriented nanoscale Fe/Ag and Fe/Cr multilayers. The multilayers in the experiment contained isotopically enriched 57 Fe monolayers as probe layers located either at the Fe/Ag or Fe/Cr interfaces or in the center of the Fe films. This allows probing of the vibrational ynamics of Fe sites either at the buried interfaces or in the center of the Fe films. For Fe/Ag multilayers, distinct differences were observed experimentally between the Fe-partial VDOS at the interface and in the center. At the Fe/Ag interface, the high-energy longitudinal-acoustic (LA) phonon peak of Fe near ~35 meV is suppressed and slightly shifted to lower energy, and the low-energy part of the VDOS below ~20 meV is drastically enhanced, as compared to the Fe-specific VDOS in the center Fe layers or in bulk Fe. Similar phenomena are found to a less degree in the Fe/Cr multilayers. The measured Fe-partial VDOS was used to determine the Fe site-selective vibrational thermodynamic properties of the multilayers. Our theoretical findings for the layer-dependent VDOS of the multilayers are in qualitative agreement with the experimental results obtained by NRIXS. For Fe/Ag multilayers, which are characterized by a large atomic mass ratio, the experimental and theoretical results demonstrate phonon confinement in the Fe layers and phonon localization at the Fe/Ag interfaces due to the energy mismatch between Ag and Fe LA phonons. These phenomena are reduced or suppressed in the Fe/Cr multilayers with their about equal atomic masses. Moreover, direction-projected Fe VDOS along the (nearly in-plane) incident x-ray beam was computed in order to address the intrinsic vibrational anisotropy of the Fe/Ag multilayer. We have also performed spin-resolved electronic band structure (DFT) calculations, predicting an enhanced magnetic moment (μ Fe = 2.8μ B ) of the interfacial Fe atoms and a high electron spin polarization (79%) at the Fermi energy for the Fe/Ag interface, as compared to the case of Fe center layers. This is a result of charge transfer from Fe to Ag at the interface. On the contrary, Cr tends to donate electrons to Fe, thus reducing the interfacial Fe moment (μ Fe = 1.9μ B ). This implies strong chemical bonding at the Fe/Ag and Fe/Cr interfaces, affecting the interfacial VDOS.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Reactive multilayers fabricated by vapor deposition. A critical review

The reactive multilayer thin films are a class of energetic materials that continue to attract attention for use in joining applications and as igniters. Generally composed of two reactants, these heterogeneous solids can be stimulated by an external source to promptly release stored chemical energy in a sudden emission of light and heat. In our critical review article, results from recent investigations of these materials are discussed. Discussion begins with a brief description of the vapor deposition techniques that provide accurate control of layer thickness and film composition. More than 50 reactive film compositions have been reported to date, with most multilayers fabricated by magnetron sputter deposition or electron-beam evaporation. In later sections, we review how multilayer ignition threshold, reaction rate, and total heat are tailored via thin film design. For example, planar multilayers with nanometer-scale periodicity exhibit rapid, self-sustained reactions with wavefront velocities up to 100 m/s. Numeric and analytical models have elucidated many of the fundamental processes that underlie propagating exothermic reactions while demonstrating how reaction rates vary with multilayer design. Recent, time-resolved diffraction and imaging studies have further revealed the phase transformations and the wavefront dynamics associated with propagating chemical reactions. Many reactive multilayers (e.g., Co/Al) form product phases that are consistent with published equilibrium phase diagrams, yet a few systems, such as Pt/Al, develop metastable products. The final section highlights current and emerging applications of reactive multilayers. Examples include reactive Ni(V)/Al and Pd/Al multilayers which have been developed for localized soldering of heat-sensitive components.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Delamination recycling of multilayer plastic films: Solvent-assisted separation pathways and recovery of solid polyolefins

Multilayer plastic films are excellent packaging materials due to the bound layers of multiple polymers, with each different polymer contributing to the film properties. Desirable properties lead to continuously growing demand for multilayer films. Multilayer plastic films are typically single-use and, as such, their increased production and disposal have led to waste management problems. Multilayer films are not currently recyclable primarily due to the multiple bound polymers. This work advances delamination as a recycling process to separate and sequester valuable polymers from multilayer films, facilitating the incorporation of these polymers into the circular economy. We effect delamination in a physical process that preserves targeted polymers as solid film, hence retaining their embodied energy. This work documents three different pathways of inducing delamination of multilayer films, with appropriate solvents disrupting adhesion between adjacent layers or dissolving a minor component of the film in less than an hour and at temperatures below 90°C, and where all initial polyethylene is maintained in its solid form throughout the process and is recovered at high purity. Solvent-based delamination is exemplified on commercial multilayer films with majority polyethylene (PE), and polyethylene terephthalate (PET) or ethylene vinyl alcohol copolymer (EVOH) or nylon also present. Solvent-based delamination is an energy-efficient and environmentally friendly recycling process that improves upon dissolution-precipitation recycling, since delamination involves very little dissolution and no precipitation, and is superior to pyrolysis which breaks down the polymers, while delamination keeps polymer chains intact. Furthermore, delamination recycling can contribute to the sustainable use of multilayer films as they continue to protect our food and medicine.

Chemical Recycling↗
DOE OSTI2016

Controlled synthesis of MnOOH multilayer nanowires as anode materials for lithium-ion batteries

MnOOH multilayer nanowires have been successfully synthesized by a hydrothermal method. It is found that the uniform multilayer structure of nanowires ran through the entire nanowire, which is formed via a layer by layer. The electrochemical properties of MnOOH multilayer nanowires as an anode material for Li-ion batteries (LIB) were investigated, and excellent capacity retention, superior cycling performance, and high rate capability were achieved. Specifically, the reversible capacity of MnOOH multilayer nanowires is 521 mAh/g after 500 cycles at 0.1 C, with excellent electrochemical stability. The multilayer nanowire electrodes exhibit short electron path lengths, high internal dislocation densities and large surface to volume ratio, resulting in increased specific capacity, cycling stability and rate performance in the energy storage devices, which serves as an indication of their potential application in LIBs. - Highlights: •MnOOH multilayer nanowires were synthesized by a hydrothermal method. •The uniform multilayer structure of nanowires was formed via layer by layer. •The reversible capacity of product shows 521 mAh/g after 500 cycles at 0.1 C. •MnOOH multilayer nanowires showed higher property as anode material in LIB.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Effect of Si interlayers on the magnetic and mechanical properties of Fe/Ge neutron polarizing multilayer mirrors

The neutron polarizing supermirror is one of the most important optical devices for polarizing neutron beams. To meet a variety of research demands, neutron polarizing supermirrors need to display high polarization efficiencies at low external magnetic fields. Fe/Si and Fe/Ge multilayers are typically used in neutron polarizing supermirrors because the contrast in scattering length densities almost vanishes for spin-down neutrons. The Fe/Si/Ge/Si multilayer, obtained by adding thin interlayers of Si to an Fe/Ge multilayer, is effective in reducing the external field strength necessary to achieve efficient neutron polarization. To gain insight into the mechanism that controls the required external field strength for a neutron polarizing supermirror, we investigated the magnetic and mechanical properties of Fe/Si, Fe/Ge, and Fe/Si/Ge/Si multilayers. The external field strength required to achieve efficient neutron polarization was found to be proportional to the compressive film stress. The compressive stress of the Fe/Si/Ge/Si multilayer was smaller by a factor of 4.4 and 2.7 than that of Fe/Si and Fe/Ge multilayers, respectively. These measurements and analyses showed that a reduction in the compressive film stress in the Fe/Si/Ge/Si multilayer permits the use of lower external field strength to achieve efficient neutron polarization. X-ray photoelectron spectroscopic studies showed that the formation of a Ge-Si solid solution in the Ge layer may explain the marked reduction in compressive stress in the case of the Fe/Si/Ge/Si multilayer. This study confirmed that a reduction in compressive film stress is very important for a high-performance neutron polarizing supermirror.

36 MATERIALS SCIENCE↗