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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Multilayered vacuum-arc nanocomposite TiN/ZrN coatings before and after annealing: Structure, properties, first-principles calculations

Highlights: • Multilayer TiN/ZrN films were deposited using sequential vacuum-arc deposition of Ti and Zr targets in nitrogen atmosphere; • Several samples were annealed in air at the temperature 700 °C; • First-principles calculations of TiN(111), ZrN(111) structures and TiN(111)/ZrN(111) multilayer were carried out; • All deposited samples were highly polycrystalline with quite large 20–25 nm crystals; • The nanohardness and elastic modulus of non-annealed coatings reached 42 GPa and 348 GPa, respectively; • Deposited coatings demonstrate good wear and oxidation resistance; - Abstract: Nanoscale multilayered TiN/ZrN films were deposited using sequential vacuum-arc deposition of Ti and Zr targets in a nitrogen atmosphere. Studies of film's properties were carried out using various modern methods of analysis, such as XRD, STEM, HRTEM, SIMS combined with results of nanoindentation and tribological tests. To interpret the mechanical properties of the deposited multilayer films first-principles calculations of TiN(111), ZrN(111) structures and TiN(111)/ZrN(111) multilayer were carried out. To study the influence of thermal annealing, several samples were annealed in air at the temperature 700 °C. All deposited samples were highly polycrystalline with quite large 20–25 nm crystals. The crystalline planes were very ordinated and demonstrated an excellent coordinated growth. The nanohardness and elastic modulus of non-annealed coatings reached 42 GPa and 348 GPa, respectively. Annealing in air at the temperature 700 °C led to partial oxidation of the multilayered coatings, however hardness of the non-oxidized part of the coatings remained as high, as for initial coatings. All deposited coatings demonstrate good wear resistance.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Nacre-like MXene/Polyacrylic Acid Layer-by-Layer Multilayers as Hydrogen Gas Barriers

MXenes are a promising class of 2D nanomaterials and are of particular interest for gas barrier applications due to their high aspect ratio. However, MXene nanosheets naturally bear a negative charge, which prevents assembly with negatively charged polymers, such as polyacrylic acid (PAA), into gas barrier coatings. Here, we present MXene- and PAA-based layer-by-layer (MXene/ PAA LbL) multilayers formed by leveraging hydrogen bonding interactions. When assembled in acidic conditions, MXene/PAA LbL multilayers exhibit conformal, pinhole-free, nacre-like structures. The MXene/PAA LbL multilayers yield high blocking capability and low permeability (0.14 ± 0.01 cc·mm·m −2 ·day −1 · MPa −1 ) for hydrogen gas which is over 9000 times lower than uncoated niobium (Nb) substrate. These nacre-like structures are also electronically conductive (σ DC , up to 370 ± 30 S cm −1 ). Because these multilayers utilize hydrogen bonding, their properties are highly sensitive to the pH of the assembly and its external environment. Specifically, the reversible deconstruction of these multilayers under basic conditions is experimentally verified. This study shows that hydrogen bonding interactions can be leveraged to form MXene LbL multilayers as gas barriers, electronically conductive coatings, and deconstructable thin films via pH control.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Development of a flat-field spectrometer with a wideband Ni/C multilayer grating in the 1–3.5 keV range

To develop a flat-field spectrometer with coverage of the 1–3.5 keV range, a wideband Ni/C multilayer grating was invented. The multilayer consists of two kinds of layer structures. One is a conventional periodic multilayer of thickness D{sub 1} = 5.6 nm, Ni thickness ratio to the multilayer period γ{sub 1} = 0.5 and the number of layers N{sub 1} = 79. Both the first and last layers are Ni. The other is a C/Ni bilayer of D{sub 2} = 8.4 nm, γ{sub 2} = 0.53 and N{sub 2} = 2. The first layer is C and then Ni. The aperiodic multilayer from the topmost C/Ni bilayer was coated on a laminar-type grating having an effective grating constant of 1/2400 mm, groove depth of 2.8 nm, and duty ratio (land width/groove period) of 0.5. In a preliminary experiment, the diffraction efficiency was in excess of 0.8% in the energy range of 2.1-3.3 keV and the maximum of 5.4% at 3.1 keV at a constant angle of incidence of 88.54°, which is considerably higher than that of an Au-coated grating before deposition of the multilayer.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Ignition and self-propagating reactions in Al/Pt multilayers of varied design

The different rate-limiting processes underlying ignition and self-propagating reactions in Al/Pt multilayers are examined through experiments and analytical modeling. Freestanding, ~1.6 μm-thick Al/Pt multilayers of varied stoichiometries and nanometer-scale layer thicknesses ignite at temperatures below the melting point of both reactants (and eutectics) demonstrating that initiation occurs via solid-state mixing. Equimolar multilayers exhibit the lowest ignition temperatures when comparing structures having a specific bilayer thickness. An activation energy of 76.6 kJ/mol at. associated with solid state mass transport is determined from the model analysis of ignition. High speed videography shows that equimolar Al/Pt multilayers undergo the most rapid self-sustained reactions with wavefront speeds as large as 73 m/s. Al- and Pt-rich multilayers react at reduced rates (as low as 0.3 m/s), consistent with reduced heat of reaction and lower adiabatic temperatures. An analytical model that accounts for key thermodynamic properties, preliminary mixing along interfaces, thermal transport, and mass diffusion is used to predict the wavefront speed dependencies on bilayer thickness. Finally, good fits to experimental data provide estimates for activation energy (51 kJ/mol at.) associated with mass transport subject to high heating rates and thermal diffusion coefficient of premixed interfacial volumes (2.8 × 10 -6 m 2 /s). Pt dissolution into molten Al is identified as a rate-limiting step underlying high temperature propagating reactions in Al/Pt multilayers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Low-temperature formation of Ti2AlN during post-deposition annealing of reactive multilayer systems

M n+1 AXn-phase Ti 2 AlN thin-films were synthesized using reactive sputtering-based methods involving the deposition of single-layer TiAlN, and Ti/AlN and TiN/TiAl multilayers of various modulation periods at ambient temperature and subsequent annealing at elevated temperatures. Ex situ and in situ x-ray diffraction measurements were used to characterize the Ti 2 AlN formation temperature and phase fraction. During annealing, Ti/AlN multilayers yielded Ti 2 AlN at a significantly lower in situ temperature of 650 °C compared to TiN/TiAl multilayers or single-layer TiAlN (750 °C). The results suggest a reactive multilayer mechanism whereby distinct Ti and AlN layers react readily to release exothermic energy resulting in lower phase transition temperatures compared to TiN and TiAl layers or mixed TiAlN. With a modulation period of 5 nm, however, Ti/AlN multilayers yielded Ti 2 AlN at a higher temperature of 750 °C, indicating a disruption of the reactive multilayer mechanism due to a higher fraction of low-enthalpy interfacial TiAlN within the film.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Continuum shock mixture models for Ni+Al multilayers: Inert mesoscale simulations

Mesoscale modeling of shock waves in Ni+Al multilayers poses significant challenges that are due, in part, to shock-induced chemical reactions. Current modeling approaches utilize reactive molecular dynamics (MD), but they are limited to resolving domains of only a few hundred nanometers. In contrast, actual multilayer superlattices can be tens of micrometers thick, and they exhibit non-ideal (i.e., wavy) interfaces. The second part of our research builds upon previous work developing physically based, thermodynamically complete equations of state for various Ni and Al intermetallic compositions. Here, we introduce a novel workflow for high-fidelity mesoscale simulations of Ni+Al multilayers using a continuum hydrocode. By increasing the simulation domain size beyond MD limitations (e.g., 2 × 6 μm 2 ) and incorporating explicit interfacial roughness, we investigate the shock response of Ni+Al multilayers at previously unexplored scales. Our experimental design encompasses nine multilayer geometries with varying roughness amplitudes and tilt angles (θ = 15°, 30°, and 45°), alongside 19 flyer impact velocities ranging from 0.3 to 3.0 km/s, resulting in a total of 171 high-fidelity simulations. The bulk shock state from inert 2D mesoscale simulations aligns with the law of mixtures, while temperature and pressure fluctuations strongly correlate with multilayer geometry types. A new metric dubbed the “hot spot probability integral” shows a greater dependence on a tilt angle than interfacial roughness.

Kittell, David E. [Sandia National Laboratories (S↗
DOE OSTI2025

Collective Modes in Multilayer Graphene/𝛼−RuCl 3 Heterostructures

Collective modes in multilayer graphene, such as plasmons and phonons, exhibit sensitivity to displacement fields and interlayer coupling, distinguishing them from their counterparts in single-layer graphene. Here, we engineer collective modes in charge-transfer heterostructures composed of multilayer graphene and 𝛼−RuCl 3 . In heterostructures with a single 𝛼−RuCl 3 interface, the charge transfer generates displacement fields up to 7 V/nm at the interface between 𝛼−RuCl 3 and the adjacent graphene layer—the highest value achieved through charge-transfer methods. As a result of the broken inversion symmetry, we discover enhanced nonlinear optical response and modified phonon selection rules. Conversely, we find that multilayer graphene sandwiched between two 𝛼−RuCl 3 flakes causes displacement fields to cancel. There, we achieve carrier densities as high as 8 ×10 13 cm −2 in multilayer graphene and restore the phonon selection rules to their unperturbed state. Meanwhile, we demonstrate that plasmonic properties derive from the depletion of multiple valence bands. As a result of the quasilinear band dispersion, these “Dirac multiband plasmons” are relatively unaffected by displacement fields. On the other hand, the inverted heterostructure sequence—two multilayer graphene sheets encapsulating 𝛼−RuCl 3 —activates significant alteration of the plasmons via interlayer plasmon-plasmon coupling. Hence, multilayer graphene and 𝛼−RuCl 3 heterostructures offer a gate-free platform for engineering collective modes derived from inversion symmetry and interlayer coupling.

Moore, Samuel L. [Columbia University, New York, N↗
DOE OSTI2016

Multilayer spectral graph clustering via convex layer aggregation

Multilayer graphs are commonly used for representing different relations between entities and handling heterogeneous data processing tasks. New challenges arise in multilayer graph clustering for assigning clusters to a common multilayer node set and for combining information from each layer. This paper presents a theoretical framework for multilayer spectral graph clustering of the nodes via convex layer aggregation. Under a novel multilayer signal plus noise model, we provide a phase transition analysis that establishes the existence of a critical value on the noise level that permits reliable cluster separation. The analysis also specifies analytical upper and lower bounds on the critical value, where the bounds become exact when the clusters have identical sizes. Numerical experiments on synthetic multilayer graphs are conducted to validate the phase transition analysis and study the effect of layer weights and noise levels on clustering reliability.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Influence of Fe underlayers on stress evolution of Ti in Ti/Fe multilayers

A series of 40–2 nm bilayer spacing Ti/Fe multilayers were sputter-deposited. As the length scale of individual Ti layers equaled to 2 nm, Ti phase transforms from a hexagonal close packed (hcp)-to-body centered cubic (bcc) crystal structures for equal layer thicknesses in Ti/Fe multilayers. Further equal reductions in bilayer spacing to less than 1 nm resulted in an additional transformation from a crystalline to amorphous structure. Atom probe tomography reveals significant intermixing between layers which contributes to the observed phase transformations. Real-time, intrinsic growth stress measurements were also performed to relate the adatom mobility to these phase transformations. For the hcp Ti/bcc Fe multilayers of equivalent volume fractions, the multilayers undergo an overall tensile stress state to a compressive stress state with decreasing bilayer thickness for the multilayers. When the above phase transformations occurred, a modest reduction in the overall compressive stress of the multilayer was noted. Depending on the Fe thickness, the Ti growth was observed to be a tensile to compressive growth change to a purely compressive growth for thinner bilayer spacing. Fe retained a tensile growth stress regardless of the bilayer spacing studied.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Normal incidence multilayer mirrors for extreme ultraviolet astronomy

Sputtered multilayer coatings allow the use of normal incidence optics in the extreme ultraviolet (EUV) region below 500 A. Multilayer mirrors can be tailored to provide images at strong EUV lines in the sun and stars, in many cases making more efficient use of the telescope aperture than grazing incidence optics. Alternatively, the bandpass can be broadened at the expense of peak effective area, by varying the multilayer structure over the mirror surface. Such mirrors can also serve as optical elements in spectrographs for investigation of specific emission and absorption line complexes, and are self-filtering in that they reject nearby geocoronal and cosmic resonance line backgrounds. Current efforts at the Lockheed Palo Alto Research Laboratory in the design, fabrication, and testing of EUV multilayer mirrors are discussed. This program includes the design and fabrication of normal incidence EUV multilayer mirrors, and the deposition of multilayers on lacquer-coated substrates.

Stern, R. A.↗
DOE OSTI2023

Stability Criteria for Self-Propagating Reaction Waves in Co/Al Multilayers

The propagation of self-sustained formation reactions in sputter-deposited Co/Al multilayers is known to exhibit a design-dependent instability. Multilayers having thin bilayers (<55 nm period) exhibit stable propagating waves, whereas those with a larger period react unstably. The specific two-dimensional (2D) instability observed involves the transverse propagation of a band in front of a stalled front commonly referred to as a “spin band.” Previous finite-element studies have shown that these instabilities are thermodynamically driven by the forward conduction of heat away from the flame front. However, the magnitude of that loss is inherently tied to the bilayer design in traditional bimetallic multilayers, which couples any proposed stability criteria to a varying critical diffusion distance. Here, this work utilizes a recently developed class of materials known as “inert-mediated reactive multilayers” to decouple the thermodynamic and kinetic contributions to propagating wave stability by reducing the stored chemical energy density in normally stable bilayer designs. By depositing an inert product phase (B2-CoAl) within the mid-plane of Co and Al reactant layers, spin instabilities arise as a function of both diluted volume and critical diffusion distance. From there, a stability criterion is determined for Co/Al multilayers based on enthalpy loss from the reaction zone, and its physical significance is explored.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Delamination of Multilayer Plastic Films to Recover Polyethylene with Favorable Mechanical Properties

Multilayer plastic films play a critical role in packaging, with each polymer layer contributing specific properties to the multilayer film. Multilayer plastic films are not currently recyclable due to the bound polymers. With multilayer film production of about 20 million metric tons in 2024 and rising, endof- life treatment becomes pressing. This work presents a scalable solvent-based delamination recycling process that is applied to commercial postindustrial multimaterial films to unbind the materials within a multilayer film by dissolving only the adhesive layer and recover polyethylene (PE) as an intact solid film. Solventbased delamination is a simple process that allows the complete recovery of materials and solvents used in the process. The delaminating solvent, 88% formic acid in water, induces delamination of PE/PEI/PET and PE/PU/PET films at 70 °C in under an hour. Recovered PE has no contamination detected by Fourier transform infrared spectroscopy and mechanical properties on par with those of virgin resin. The recovery of high-quality solid PE film fit for reprocessing, at low operating temperatures and with closed-loop solvent reuse, promotes delamination as a low energy consumption and environmentally friendly recycling process. PE recovered from delamination can be reused in equivalent products, promoting circularity of multimaterial films.

chemical recycling↗
DOE OSTI2016

Magnetic properties of ultrathin discontinuous Co/Pt multilayers: Comparison with short-range ordered and isotropic CoPt 3 films

In this paper, magnetic properties of thin Co/Pt multilayers have been investigated in order to study the dependence of magnetization $M$, uniaxial anisotropy ${K}_{u}$, and Curie temperature ${T}_{\mathrm{C}}$ on the multilayer thickness, composition, and structure. A comparison between epitaxial submonolayer multilayers and epitaxial fcc ${\mathrm{CoPt}}_{3}$ alloy films with large perpendicular magnetic anisotropy (PMA) attributed to growth-induced Co clustering reveals significant differences in the temperature dependence of magnetization $M(T)$, despite the presence of thin planar Co platelets in both cases. Even the thinnest discontinuous multilayered structure shows a Langevin-like $M(T)$, while the alloy films with PMA show a broadened and enhanced $M(T)$ indicating a distribution of environments, including monolayer Co platelets separated by only 1-2 layers of Pt. These differences have been reproduced in Monte Carlo simulations, and are shown to be due to different distributions of Co-Co and Co-Pt nearest neighbors. Finally, the relatively uniform Co-Co coordination of even a discontinuous rough multilayer produces a Langevin-like $M(T)$, whereas the broader distribution associated with platelets in the PMA films results in a nearly linear $T$ dependence of $M$.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Development of Multilayered Coatings for Nerva-Type Graphite Fuel Elements- An Overview

“Mid-passage corrosion” (MPC) was observed in NbC and ZrC-coated graphite (Gr)-based nuclear fuels during the NERVA/Rover programs. A new multilayered coating concept was proposed to solve this problem. The concept envisions designing a compliant multilayered coatings architecture to accommodate the thermal expansion mismatch strains between the ZrC outer coating and the Gr/(U,Zr)C fuel matrix. Additionally, the coating architecture uses diffusion barriers to minimize carbon diffusion from the substrate, and hydrogen diffusion from the flowing gas stream, into the multilayer coating. The present paper provides a brief overview of the development of multilayered coatings deposited on Gr disks, as well as within the inner channels of a19-hole hexagonal rod 152.4 mm long, by chemical vapor deposition (CVD) in proof-of concept studies. The cross-sectional microstructural observations are discussed. These trials have established that it is possible to deposit multilayered coatings by CVD in 19-hole hexagonal rods similar to the NERVA fuel rod design although the quality of the coatings and the uniformity of their thicknesses require further improvement.

Multilayer coatings, graphite, nuclear thermal pro↗
DOE OSTI2026

Catalytic Autoxidation for Depolymerization of Multilayer Plastic Films

Recycling multilayer plastic films is challenged by a diversity of polymers, prompting development of new recycling methods. For the depolymerization of mixed polymers like those in multilayer films, metal-catalyzed autoxidation offers a versatile chemical recycling method to deconstruct multiple polymers to useful oxygenates. Here, we demonstrate that catalytic autoxidation is effective for depolymerizing multilayer films across diverse chemistries. We investigated conditions for a model polyethylene substrate using a Co, Mn, and Br cocatalyst system, achieving full carbon closure with oxygenated small molecules contributing up to 48 mol% carbon. Subsequently, we characterized product distributions for several common polymers used in multilayer films using high-resolution mass spectrometry (HRMS) and developed analytical methods to quantify the resulting complex product streams. Optimized conditions for polyethylene were applied to 11 multilayer plastic films containing 10 different polymers, including films with nonpolymeric potential disrupters like aluminum foil and titanium dioxide, showing that catalytic autoxidation is effective across a broad range of polymer types and is resistant to disrupters and additives. The generation of CO 2 in these reactions overall suggests that both reaction engineering and modifications to the reaction conditions will be required to achieve higher yields of soluble oxygenated products.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Multilayered microstructures with shape memory effects for vertical deployment

This paper presents a fabrication and characterization of multilayered microstructures with shape memory effects enabling large vertical deployment under electro-thermal actuation. Our previous research demonstrated vertical deployment of such microstructures by the effect of thermal mismatch. Development of equiatomic NiTi layers in the multilayered microstructure is investigated further for shape memory effects. Multilayered microstructures are built by sputtered NiTi layers and a lift-off process. Negative photoresist ma-N1420 enables clean lift-off of 500 nm thick NiTi layers by forming a significant undercut profile after development. The parametric study on co-sputter powers for Ti and Ni 50 Ti 50 targets suggests that 100 W RF on Ti target and 200 W DC on Ni 50 Ti 50 target can deposit Ni 49.62 Ti 50.38 layers. X-Ray Diffraction (XRD) and Atomic Force Microscopy (AFM) were used to study the crystal structures and surface topography of NiTi layers. XRD results of post-annealed Ni 49.62 Ti 50.38 layers show coexistence of austenite and martensitic phases at room temperature, suggesting that the transformation temperature of such NiTi layers should be approximate 20 °C. The surface topography of Ni 49.62 Ti 50.38 layers reveals substantial increase of surface roughness at ambient conditions after the annealing. Experimental verification of the multilayered microstructure for vertical deployment was carried out by Signatone Probe Station and Dual Scanning Electron Microscope/Focused Ion Beam (SEM/FIB) system. Finally, a vertical deployment of the two-dimensional (2D) multilayered microstructures for three-dimensional (3D) can be detected by applying a constant voltage of 0.04 V, and the expected 3D deployment displacement is enlarged from 2 μm to 10 μm by introducing the shape memory effect.

42 ENGINEERING↗
DOE OSTI2018

Angular-Dependent Vortex Pinning Properties of YBa{sub 2}Cu{sub 3}O{sub 7−δ}/Y{sub 2}O{sub 3} Quasi-Multilayers

A series of quasi-multilayers of YBa{sub 2}Cu{sub 3}O{sub 7−δ} (YBCO)/Y{sub 2}O{sub 3} specifically 70 × (m YBCO/n Y{sub 2}O{sub 3}) were prepared on SrTiO{sub 3} single crystal using pulsed-laser deposition (PLD) with a controlled deposition pulses of m = 40 and n = 2, 5, and 10 for YBCO and Y{sub 2}O{sub 3}, respectively. The x-ray diffraction patterns indicate that all the present quasi-multilayers exhibit good c-axis orientation. The angular dependence of critical current density (J{sub c}) on applied magnetic field directions are systemically measured to study the anisotropic vortex pinning performances for those quasi-multilayers. It is revealed that compared with the pure YBCO films, the quasi-multilayers with n = 2, i.e., a proper constituent pulse of Y{sub 2}O{sub 3}, exhibits the enhanced vortex pinning abilities in all angles between c-axis orientation and the applied magnetic field direction. As well, such a quasi-multilayer film (n = 2) shows the higher lift factor J{sub c}(Θ)/ J{sub c}(90°) and much better vortex pinning properties at high fields and high temperatures, showing promising potential for coated conductor application.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Giant Magnetoresistance in Electrochemical Deposited CoFe/Cu Multilayers Depending on Fe Concentration

Electrochemical deposition of CoFe/Cu multilayers were performed on Ti substrate from a single bath. 0.025, 0.05 and 0.1 M Fe concentration were used in electrolytes. The deposition potentials were selected − 1.5 V for magnetic layers and − 0.3 V for non-magnetic layers with respect to saturated calomel electrode. The current-time transients were obtained during the deposition process. The X-ray diffraction was used to define the structure of the multilayers. The multilayers were found to be face-centred cubic structure such as bulk Cu. Their lattice parameter and inter-planar distances values confirm this result. The magnetic measurements were performed at room temperature under 2 kOe external magnetic field. The results show that the saturation magnetization gradually increased from 27 to 50 emu/cm{sup 3} with increasing 0.025 to 0.05 M Fe concentration in electrolyte, and in the multilayer prepared from the electrolyte containing 0.1 M Fe concentration, this value drastically decreased to 18 emu/cm{sup 3}. The magnetoresistance measurements were carried out in magnetic fields in the range of ± 1.2 kOe. The high GMR value (18 %) and sensitivity (4.4 %/Oe) were obtained for this multilayer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗