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Results for “Nanostructured multilayers”

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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Spin Textures at Conformal Surfaces and Interfaces: CRADA Final Report

The scientific and technological exploration of artificially designed three-dimensional magnetic nanostructures opens the path to exciting novel physical phenomena, originating from the increased complexity in spin textures, topology, and frustration in three dimensions. Theory predicts that the equilibrium magnetic ground state of two-dimensional systems which reflects the competition between symmetric (Heisenberg) and antisymmetric (Dzyaloshinskii-Moriya interaction (DMI)) exchange interaction is significantly modified on curved surfaces when the radius of local curvature becomes comparable to fundamental magnetic length scales. In this CRADA we performed collaboratively an experimental study of the spin texture in an 8 nm thin magnetic multilayer with growth-induced in-plane anisotropy and DMI deposited onto the curved surface of a 1.8µm long non-magnetic carbon nanowire with a 67 nm radius. The sample was fabricated in Juelich and with collaborators at BESSY in Berlin. Using magnetic soft x-ray tomography at the ALBA synchrotron in Spain, the three-dimensional spin configuration in this nanotube was retrieved with about 30nm spatial resolution. The transition between two vortex configurations on the two ends of the nanotube with opposite circulation occurs through a domain wall that is aligned at an inclined angle relative to the wire axis. Three-dimensional micromagnetic simulations support the experimental observations and represent a visualization of the curvature-mediated DMI. They also allow a quantitative estimate of the DMI value for the magnetic multilayered nanotube.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

As cast precipitation microstructures in twin-roller melt-spun Cu{sub 90}Co{sub 10} alloys

As cast Cu{sub 90}Co{sub 10} ribbons rapidly solidified by twin-roller melt spinning, exhibit special microstructure features. This processing method provides scenarios where a different phase selection takes place; coherent Co precipitates form directly from solidification, with neither a spinodal-like composition oscillation nor a discontinuously precipitated laminar phase. Samples are processed at tangential wheel speeds of 10 m/s (V10), 15 m/s (V15), 20 m/s (V20) and 30 m/s (V30). Microstructures resulting from this single step process are characterized and the hysteresis properties and the magnetoresistance effects evaluated. Samples V30 have a quite uniform density of coherent precipitates, with a narrow size distribution around 4 nm. On contrary, non-uniform precipitate distributions are found in samples cooled at lower rates; zones with a high density of coherent Co-rich precipitates are found forming colonies. These colonies are consistent with the extended compositional fluctuations occurring during very early stages in the cooling process. Samples may exhibit wide (V10) and even bimodal (V15) size distributions. Only samples V30 behave close to the ideal superparamagnetism. Samples V20 present relatively large coercivity and relative remanence and behave as an interacting superparamagnet, while the hysteresis loops of ribbons cooled at lower rates exhibit a ferromagnetic contribution in addition to the superparamagnetic-like one. This ferromagnetic component arises from blocked precipitates, larger than the upper bound size for superparamagnetic behavior at 300 K (12 nm). Room temperature magnetoresistance values associated to granular scattering units decrease as the mean precipitate size increases, but they remain below 2%, which is lower than that measured in samples annealed after rapid solidification, indicating that in this latter case contributions from the spinodally segregated matrix take place in addition to that of Co granules. - Highlights: •Microstructures of twin-rolled Cu{sub 90}Cu{sub 10} alloys are for the first time characterized. •Coherent Co-rich precipitates distribute forming dense colonies inside the grains. •No coexisting multilayer-like structures (spinodal or laminar phases) are detected. •Magnetic hysteresis arises from inter-particle interaction in these dense colonies. •Magnetoresistance level in these purely granular systems is low (1.6% at 300 K).

36 MATERIALS SCIENCE↗
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↗
NASA NTRS2003

Nanolayered Features of Collagen-like Peptides

We have been investigating collagen-like model oligopeptides as molecular bases for complex ordered biomimetic materials. The collagen-like molecules incorporate aspects of native collagen sequence and secondary structure. Designed modifications to native primary and secondary structure have been incorporated to control the nanostructure and microstructure of the collagen-like materials produced. We find that the collagen-like molecules form a number of lyotropic rod liquid crystalline phases, which because of their strong temperature dependence in the liquid state can also be viewed as solvent intercalated thermotropic liquid crystals. The liquid crystalline phases formed by the molecules can be captured in the solid state by drying off solvent, resulting in solid nanopatterned (chemically and physically) thermally stable (to greater than 100 C) materials. Designed sequences which stabilize smectic phases have allowed a variety of nanoscale multilayered biopolymeric materials to be developed. Preliminary investigations suggest that chemical patterns running perpendicular to the smectic layer plane can be functionalized and used to localize a variety of organic, inorganic, and organometallic moieties in very simple multilayered nanocomposites. The phase behavior of collagen-like oligopeptide materials is described, emphasizing the correlation between mesophase, molecular orientation, and chemical patterning at the microscale and nanoscale. In many cases, the textures observed for smectic and hexatic phase collagens are remarkably similar to the complex (and not fully understood) helicoids observed in biological collagen-based tissues. Comparisons between biological morphologies and collagen model liquid crystalline (and solidified materials) textures may help us understand the molecular features which impart order and function to the extracellular matrix and to collagen-based mineralized tissues. Initial studies have utilized synthetic collagen-like peptides while future work will also focus on similar sequences generated via genetic engineering methods.

Valluzzi, Regina↗
DOE OSTI2019

Skyrmion Emergence Mediated by Antiferromagnetic Interlayer Exchange Coupling

Skyrmions are considered as topologically protected magnetic textures; they are covering a large area of applications. In this work, we studied using micromagnetic simulations the emergence of skyrmions in a nanodisk stacked in a FM/NM/FM multilayer system. We show how the skyrmion is formed through the antiferromagnetic interlayer exchange coupling (IEC). We also show the impact of the IEC on skyrmion size in both layers. We try as a conclusion to identify the range of IEC where skyrmions could exist in such systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Microstructure and Mechanical Properties of Multilayer α-AlN/α-BCN Coating as Functions of the Current Density during Sputtering of a B{sub 4}C Target

Multilayer AlN/BCN coating of nanometer scale have been prepared by magnetron sputtering of Al and B{sub 4}C targets in an argon–nitrogen atmosphere during deposition on a Si substrate. These coating have an X-ray amorphous structure and the maximum Knoop hardness of 27 GPa (at the current density 100 mA). The first-principle molecular dynamics calculations show that the B4–BN layer is dynamically unstable; thus, it will not be epitaxial and will be amorphous or have a structure different from the B4–BN structure. The thermal vacuum annealing from 600 to 800°C of samples with multilayer nanosized coating leads to the decrease in the Knoop hardness to 18 GPa; however, the coating structure is retained X-ray amorphous.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2005

Thermal, Radiation and Impact Protective Shields (TRIPS) for Robotic and Human Space Exploration Missions

New concepts for protective shields for NASA s Crew Exploration Vehicles (CEVs) and planetary probes offer improved mission safety and affordability. Hazards include radiation from cosmic rays and solar particle events, hypervelocity impacts from orbital debris/ micrometeorites, and the extreme heating environment experienced during entry into planetary atmospheres. The traditional approach for the design of protection systems for these hazards has been to create single-function shields, i.e. ablative and blanket-based heat shields for thermal protection systems (TPS), polymer or other low-molecular-weight materials for radiation shields, and multilayer, Whipple-type shields for protection from hypervelocity impacts. This paper introduces an approach for the development of a single, multifunctional protective shield, employing nanotechnology- based materials, to serve simultaneously as a TPS, an impact shield and as the first line of defense against radiation. The approach is first to choose low molecular weight ablative TPS materials, (existing and planned for development) and add functionalized carbon nanotubes. Together they provide both thermal and radiation (TR) shielding. Next, impact protection (IP) is furnished through a tough skin, consisting of hard, ceramic outer layers (to fracture the impactor) and sublayers of tough, nanostructured fabrics to contain the debris cloud from the impactor before it can penetrate the spacecraft s interior.

Loomis, M. P.↗
DOE OSTI2022

Impact of Nanoparticle Size and Surface Chemistry on Peptoid Self-Assembly

Self-assembled organic nanomaterials can be generated by bottom-up assembly pathways where the structure is controlled by the organic sequence and altered using pH, temperature, and solvation. In contrast, self-assembled structures based on inorganic nanoparticles typically rely on physical packing and drying effects to achieve uniform superlattices. By combining these two chemistries to access inorganic–organic nanostructures, we aim to understand the key factors that govern the assembly pathway and structural outcomes in hybrid systems. In this work, we outline two assembly regimes between quantum dots (QDs) and reversibly binding peptoids. These regimes can be accessed by changing the solubility and size of the hybrid (peptoid-QD) monomer unit. The hybrid monomers are prepared via ligand exchange and assembled, and the resulting assemblies are studied using ex-situ transmission electron microscopy as a function of assembly time. In aqueous conditions, QDs were found to stabilize certain morphologies of peptoid intermediates and generate a final product consisting of multilayers of small peptoid sheets linked by QDs. The QDs were also seen to facilitate or inhibit assembly in organic solvents based on the relative hydrophobicity of the surface ligands, which ultimately dictated the solubility of the hybrid monomer unit. Increasing the size of the QDs led to large hybrid sheets with regions of highly ordered square-packed QDs. A second, smaller QD species can also be integrated to create binary hybrid lattices. Furthermore, these results create a set of design principles for controlling the structure and structural evolution of hybrid peptoid-QD assemblies and contribute to the predictive synthesis of complex hybrid matter.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Structural and Magnetic Characteristics of Nanogranular Co–Al{sub 2}O{sub 3} Single- and Multilayer Films Formed by the Solid-State Synthesis

The results of structural and magnetic investigations of nanogranular Co–Al{sub 2}O{sub 3} films formed from Co{sub 3}O{sub 4}/Al thin-film layered structures upon vacuum annealing are reported. The Co{sub 3}O{sub 4}/Al films have been obtained by sequential reactive magnetron sputtering of a metallic cobalt target in a medium consisting of the Ar + O{sub 2} gas mixture and magnetron sputtering of an aluminum target in the pure argon atmosphere. It is shown that such a technique makes it possible to obtain nanogranular Co–Al{sub 2}O{sub 3} single- and multilayer thin films with a well-controlled size of magnetic grains and their distribution over the film thickness.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Evaluation of the interfacial bonding strength between hafnia and silica layers deposited by electron-beam evaporation

Factors contributing to the mechanical strength of multilayer optical coatings involving alternating layers of electron-beam evaporated hafnia and silica is investigated. It is observed that upon rupture resulting from nanosecond laser damage, fragments consisting of layer pairs are produced. These pairs are formed as a result of a strong asymmetry in adhesion strength between interfaces, leading to preferential delamination at interfaces where silica is deposited on hafnia, and not the reverse, despite the fact that both interface types consist of the same pair of materials. The observed disparity in adhesion strength was further studied using nanomechanical scratch tests, revealing loads at which fracture occurs, and fracture morphology, both of which are highly dependent on deposition order. Based on these measurements, along with the morphological analysis of the nanostructure of the coatings, we conclude that the surface microstructure in each coating layer affects its adhesion strength with the succeeding layer. The findings outlined here are particularly relevant to the production of large aperture, high-performance optics designed for use in next-generation lasers.

adhesion strength↗
DOE OSTI2016

Thickness and temperature depending intermixing of SiO{sub x}/SiO{sub 2} and SiO{sub x}N{sub y}/SiO{sub 2} superlattices: Experimental observation and thermodynamic modeling

Multilayered SiO{sub x}/SiO{sub 2} and SiO{sub x}N{sub y}/SiO{sub 2} thin films were fabricated using different techniques and subsequently annealed at high temperatures (≥1100 °C) in order to form Si nanocrystals by means of the well-known superlattice approach. The thickness of the SiO{sub x} and SiO{sub x}N{sub y} layers was varied from 1.5 to 5 nm, while for the SiO{sub 2} layers it was fixed at 4 nm. Using transmission electron microscopy, we showed that the multilayered structure generally sustains the high temperature annealing for both types of films. However, for samples with ultrathin SiO{sub x} or SiO{sub x}N{sub y} layers a breakdown of the superlattice structure and a complete intermixing of layers were observed at high temperatures. On the contrary, annealing at lower temperature (900 °C) preserves the multilayered structure even of such samples. Theoretical calculations showed that the intermixing of SiO{sub x}/SiO{sub 2} and SiO{sub x}N{sub y}/SiO{sub 2} superlattices in the ultrathin layers thickness limit may be explained thermodynamically by the gain in the Gibbs free energy, which depends in turn on the annealing temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Constitutive Modeling of High-Temperature Flow Stress of Armor Steel in Ballistic Applications: A Comparative Study

Armox 500T is one of the armor grade steels extensively used as armor against bullet penetration in ballistic applications. In such applications, the material undergoes plastic deformation at large strain rates (10{sup 3} s{sup −1}) at temperatures of the order of 673-1373 K. In the present work, an attempt has been made to predict strain rate and temperature-dependent flow behavior of Armox 500T steel through physical-based model like modified Zerilli–Armstrong (M-ZA) and phenomenological-based models like Cowper Symonds (CS), modified Johnson–Cook (M-JC), Arrhenius (Arr.) and Khan–Huang–Liang (KHL) constitutive material model. Isothermal uniaxial compression tests at low strain rates (10{sup −3}-10{sup −1} s{sup −1}) and dynamic compression tests at high strain rates (600-3000 s{sup −1}) in the temperatures range of 673-1373 K have been carried out to determine constitutive material model parameters. In addition, an artificial neural network (ANN) model that works on multilayer perceptron (MLP) based back propagation neural network (BPNN) has also been developed. The results from all these models have been compared in terms of three statistical parameters namely correlation coefficient (R), mean absolute percent error (MAPE) and its standard deviation (Δ). The results revealed that M-JC model shows highest correlation coefficient and lowest average absolute error. Further, ANN model prediction has the highest accuracy with R = 0.999 and MAPE = 1.052.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Supra-Nanoparticle Functional Assemblies through Programmable Stacking

The quest for the by-design assembly of material and devices from nanoscale inorganic components is well recognized. Conventional self-assembly is often limited in its ability to control material morphology and structure simultaneously. We report a general method of assembling nanoparticles in a linear “pillar” morphology with regulated internal configurations. Our approach is inspired by supramolecular systems, where intermolecular stacking guides the assembly process to form diverse linear morphologies. Programmable stacking interactions were realized through incorporation of DNA coded recognition between the designed planar nanoparticle clusters. This resulted in the formation of multilayered pillar architectures with a well-defined internal nanoparticle organization. Furthermore, by controlling the number, position, size, and composition of the nanoparticles in each layer, a broad range of nanoparticle pillars were assembled and characterized in detail. In addition, we demonstrated the utility of this stacking assembly strategy for investigating plasmonic and electrical transport properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Tailoring the crystal growth of quartz on silicon for patterning epitaxial piezoelectric films

Epitaxial films of piezoelectric α-quartz could enable the fabrication of sensors with unprecedented sensitivity for prospective applications in electronics, biology and medicine. However, the prerequisites are harnessing the crystallization of epitaxial α-quartz and tailoring suitable film microstructures for nanostructuration. Here, we bring new insights into the crystallization of epitaxial α-quartz films on silicon (100) from the devitrification of porous silica and the control of the film microstructures: we show that by increasing the quantity of devitrifying agent (Sr) it is possible to switch from an α-quartz microstructure consisting of a porous flat film to one dominated by larger, fully dense α-quartz crystals. We also found that the film thickness, relative humidity and the nature of the surfactant play an important role in the control of the microstructure and homogeneity of the films. Via a multi-layer deposition method, we have extended the maximum thickness of the α-quartz films from a few hundreds of nm to the μm range. Moreover, we found a convenient method to combine this multilayer approach with soft lithography to pattern silica films while preserving epitaxial crystallization. This improved control over crystallization and the possibility of preparing patterned films of epitaxial α-quartz on Si substrates pave the path to future developments in applications based on electromechanics, optics and optomechanics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

From atomistic models to machine learning: Predictive design of nanocarbons under extreme conditions

The formation of technologically valuable nanocarbon structures under extreme conditions, such as those produced during high-explosive detonations, remains poorly understood but holds significant potential for the development of controlled synthesis pathways. While detonation shockwaves provide the high-pressure, high-temperature environment required for nanodiamond formation, subsequent cooling and decompression dictate whether the diamond phase is preserved or transformed into other nanocarbon structures. Here, in this study, we employ GPU-accelerated reactive molecular dynamics (ReaxFF) simulations to investigate the graphitization and structural remodeling of detonation nanodiamond under nonlinear quench and pressure-release trajectories. We further investigate how the initial nanodiamond morphology; cuboctahedral, octahedral, or hexagonal prism influences the resulting transformation products. Evolution of nanostructure, allotrope (via simulated x-ray diffraction), carbon hybridization, and ring statistics are tracked during a two-stage quench from 5000 K to 60 GPa. Rapid cooling combined with slow decompression optimizes cubic diamond retention, whereas slow cooling with rapid pressure release promotes surface-to-core graphitization, producing concentric sp 2 -hybridized layers and hollowed inner shells. Octahedral nanodiamonds evolve into carbon nano-onions, initially forming bucky diamonds that progressively transform into fully sp 2 -hybridized structures, while hexagonal prisms preferentially form parallel-stacked graphite layers resembling carbon dots. Transient hexagonal diamond (lonsdaleite) emerges as an interfacial phase, suggesting potential reversibility in the shock-induced graphite-to-diamond transformation pathway transformation route. To extend predictive capabilities, we trained machine learning (ML) regressors on over 10 5 node-hours of molecular dynamics (MD) trajectories. A multilayer perceptron (MLP) model reliably predicts the number of graphitized layers from temperature–pressure trajectories with a coefficient of determination (R 2 ) exceeding 0.90. This high predictive fidelity enables efficient, high-throughput mapping of the synthesis parameter space for optimized graphitization outcomes. Collectively, morphological control combined with optimized quench–decompression conditions promote the selective synthesis of nanocarbon allotropes. This work establishes a data-driven framework for the rational, a priori design of carbon nanomaterials for applications in energy storage, sensing, and biomedicine.

Detonation nanodiamond remodeling↗
DOE OSTI2025

Twists and turns: stacking and structure-dependent optical response in MoS 2 nanoscrolls

Transition metal dichalcogenide (TMD) nanoscrolls (NSs), specifically MoS 2 NSs, present unique structural and optical properties, exhibiting prominent photoluminescence (PL) signals despite their multilayer nature. Here, this study investigates the structural and spectroscopic characteristics of MoS 2 NSs, correlating them to show the effects of reduced interlayer interactions on excitons of MoS 2 NSs. The reduction in interlayer interaction arises from two main factors: (1) symmetry-broken mixed stacking due to misalignment between layers and (2) a highly inhomogeneous strain profile generated by the Archimedean spiral geometry with positive eccentricity. Transmission electron microscopy, field emission scanning electron microscopy, atomic force microscopy, Raman spectroscopy, and second harmonic generation measurements confirm these findings. Low-temperature PL spectroscopy explores the impact of reduced interlayer interactions on exciton properties such as exciton–phonon coupling and oscillator strength. This study provides crucial insights into the structure, stacking and unique optical properties of TMD NSs, advancing the understanding of interlayer interactions and their impacts in complex quasi-one-dimensional nanostructures.

25 ENERGY STORAGE↗
DOE OSTI2021

Origins of the change in mechanical strength of silicon/gold nanocomposites during irradiation

Abstract Silicon-based layered nanocomposites, comprised of covalent-metal interfaces, have demonstrated elevated resistance to radiation. The amorphization of the crystalline silicon sublayer during irradiation and/or heating can provide an additional mechanism for accommodating irradiation-induced defects. In this study, we investigated the mechanical strength of irradiated Si-based nanocomposites using atomistic modeling. We first examined dose effects on the defect evolution mechanisms near silicon-gold crystalline and amorphous interfaces. Our simulations reveal the growth of an emergent amorphous interfacial layer with increasing dose, a dominant factor mitigating radiation damage. We then examined the effect of radiation on the mechanical strength of silicon-gold multilayers by constructing yield surfaces. These results demonstrate a rapid onset strength loss with dose. Nearly identical behavior is observed in bulk gold, a phenomenon that can be rooted to the formation of radiation-induced stacking fault tetrahedra which dominate the dislocation emission mechanism during mechanical loading. Taken together, these results advance our understanding of the interaction between radiation-induced point defects and metal-covalent interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Longitudinal eigenvibration of multilayer colloidal crystals and the effect of nanoscale contact bridges

Longitudinal contact-based vibrations of colloidal crystals with a controlled layer thickness are studied. These crystals consist of 390 nm diameter polystyrene spheres arranged into close packed, ordered lattices with a thickness of one to twelve layers. Using laser ultrasonics, eigenmodes of the crystals that have out-of-plane motion are excited. The particle–substrate and effective interlayer contact stiffnesses in the colloidal crystals are extracted using a discrete, coupled oscillator model. Extracted stiffnesses are correlated with scanning electron microscope images of the contacts and atomic force microscope characterization of the substrate surface topography after removal of the spheres. Solid bridges of nanometric thickness are found to drastically alter the stiffness of the contacts, and their presence is found to be dependent on the self-assembly process. Measurements of the eigenmode quality factors suggest that energy leakage into the substrate plays a role for low frequency modes but is overcome by disorder- or material-induced losses at higher frequencies. These findings help further the understanding of the contact mechanics, and the effects of disorder in three-dimensional micro- and nano-particulate systems, and open new avenues to engineer new types of micro- and nanostructured materials with wave tailoring functionalities via control of the adhesive contact properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗