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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

STUDY OF THE DESIGN REPRESENTATION METHODS FOR THE OPTIMIZATION OF MULTI-LAYER COMPOSITE STRUCTURES

The purpose of multi-layer composite structure optimization is to find the optimal composite layout, such that superior structure performances and lightweight can be achieved. However, the existing optimization methods have a low efficiency when applied to the multi-component, multi-layer composite structure. Such low efficiency is caused by the high dimensionality and the inherent shortcomings of the existing design representation methods. In this work, two composite layout representation methods are compared to better understand their impacts on optimization. The root cause of the low efficiency is identified, and its influences are also quantified using three metrics. Furthermore, a new Representation-Switch Optimization (RSO) strategy is proposed. This strategy improves the search efficiency by switching the design representation methods during the optimization process. Three benchmark studies, two mathematical examples and one real engineering example, are conducted to demonstrate the impact of design representation methods on the optimization results, as well as the effectiveness of the proposed optimization strategy.

Xu, Hongyi↗
DOE OSTI2015

Observed and modeled patterns of covariability between low-level cloudiness and the structure of the trade-wind layer

We present patterns of covariability between low-level cloudiness and the trade-wind boundary layer structure using long-term measurements at a site representative of dynamical regimes with moderate subsidence or weak ascent. We compare these with ECMWF’s Integrated Forecast System and 10 CMIP5 models. By using single-time step output at a single location, we find that models can produce a fairly realistic trade-wind layer structure in long-term means, but with unrealistic variability at shorter-time scales. The unrealistic variability in modeled cloudiness near the lifting condensation level (LCL) is due to stronger than observed relationships with mixed-layer relative humidity (RH) and temperature stratification at the mixed-layer top. Those relationships are weak in observations, or even of opposite sign, which can be explained by a negative feedback of convection on cloudiness. Cloudiness near cumulus tops at the tradewind inversion instead varies more pronouncedly in observations on monthly time scales, whereby larger cloudiness relates to larger surface winds and stronger trade-wind inversions. However, these parameters appear to be a prerequisite, rather than strong controlling factors on cloudiness, because they do not explain submonthly variations in cloudiness. Models underestimate the strength of these relationships and diverge in particular in their responses to large-scale vertical motion. No model stands out by reproducing the observed behavior in all respects. As a result, these findings suggest that climate models do not realistically represent the physical processes that underlie the coupling between trade-wind clouds and their environments in present-day climate, which is relevant for how we interpret modeled cloud feedbacks.

58 GEOSCIENCES↗
DOE OSTI2019

Modeling Water Uptake and Pt Utilization in High Surface Area Carbon

Local transport losses limit high-current density performance of fuel-cells, especially at low Pt-loadings. Optimizing catalyst-layer structure and material properties to mitigate these losses is critical for wide-scale fuel-cell commercialization. Carbon supports form the primary porous structure of catalyst layers in which Pt particles are deposited and ionomer films are distributed. Unlike non-porous carbon supports, high surface area carbon support is unique in its relative humidity dependent Pt utilization and performance due to presence of Pt particles in the micropores interior of carbon particles. We model water uptake and Pt utilization in catalyst layers with high-surface-area carbon support. Interactions between functional groups on the carbon pore walls and water play a vital role in controlling water uptake from water vapor by catalyst layers. Ionomer is shown to influence proton access in micropores, even though it may not deposit into the micropores.

08 HYDROGEN↗
DOE OSTI2014

A challenging interpretation of a hexagonally layered protein structure

The authors describe the structure determination of a hexagonally layered protein structure that suffered from a complicated combination of translational non-crystallographic symmetry and hemihedral twinning. This case serves as a reminder that broken crystallographic symmetry resulting from doubling of a unit-cell axis often requires a new choice of origin. The carboxysome is a giant protein complex that acts as a metabolic organelle in cyanobacteria and some chemoautotrophs. Its outer structure is formed by the assembly of thousands of copies of hexameric shell protein subunits into a molecular layer. The structure determination of a CcmK1 shell protein mutant (L11K) from the β-carboxysome of the cyanobacterium Synechocystis PCC6803 led to challenges in structure determination. Twinning, noncrystallographic symmetry and packing of hexameric units in a special arrangement led to initial difficulties in space-group assignment. The correct space group was clarified after initial model refinement revealed additional symmetry. This study provides an instructive example in which broken symmetry requires a new choice of unit-cell origin in order to identify the highest symmetry space group. An additional observation related to the packing arrangement of molecules in this crystal suggests that these hexameric shell proteins might have lower internal symmetry than previously believed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Novel Layered Supercell Structure from Bi 2 AlMnO 6 for Multifunctionalities

Layered materials, e.g., graphene and transition metal (di)chalcogenides, holding great promises in nanoscale device applications have been extensively studied in fundamental chemistry, solid state physics and materials research areas. In parallel, layered oxides (e.g., Aurivillius and Ruddlesden–Popper phases) present an attractive class of materials both because of their rich physics behind and potential device applications. In this work, we report a novel layered oxide material with self-assembled layered supercell structure consisting of two mismatch-layered sublattices of [Bi 3 O 3+δ ] and [MO 2 ] 1.84 (M = Al/Mn, simply named BAMO), i.e., alternative layered stacking of two mutually incommensurate sublattices made of a three-layer-thick Bi–O slab and a one-layer-thick Al/Mn–O octahedra slab in the out-of-plane direction. Strong room-temperature ferromagnetic and piezoelectric responses as well as anisotropic optical property have been demonstrated with great potentials in various device applications. Furthermore, the realization of the novel BAMO layered supercell structure in this work has paved an avenue toward exploring and designing new materials with multifunctionalities.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Experimentally excellent beaming in a two-layer dielectric structure

We demonstrate both experimentally and theoretically that a two-layer dielectric structure can provide collimation and enhanced transmission of a Gaussian beam passing through it. This is due to formation of surface localized states along the layered structure and the coupling of these states to outgoing propagating waves. As a result, a system of multiple cascading two-layers can sustain the beaming for large propagation distances.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Layered catalyst structures and methods of making the same

A layered catalyst structure for purifying an exhaust gas stream includes a catalyst support and a palladium catalyst layer including an atomic dispersion of palladium ions electrostatically adsorbed onto an exterior surface of the catalyst support. The catalyst support includes an alumina substrate, a first ceria layer disposed on and extending substantially continuously over the alumina substrate, and a second colloidal ceria layer formed directly on the first ceria layer over the alumina substrate. The palladium catalyst layer is formed on the exterior surface of the catalyst support by applying a palladium-containing precursor solution to the exterior surface of the catalyst support and then heating the catalyst support and the palladium-containing precursor solution. The palladium-containing precursor solution includes a positively charged palladium complex in an aqueous medium and has a pH greater than a point of zero charge of the second colloidal ceria layer.

Gu, Yuntao↗
DOE OSTI2023

Correlating Tomographic Chemical Inhomogeneity and Low Energy Electronic Structure in Layered Quantum Materials

Photoemission spectroscopy (PES) is a suite of experimental tools to learn about the electronic and chemical structure of materials and surfaces. Normally implemented in a surface-sensitive manner, the research performed under this grant focused on pushing PES into less explored regimes, to reveal bulk electronic structure, to reveal tomographic (layer-resolved) chemistry and electronic structure of layered materials and heterostructures, and to reveal interface phenomena at the junction of two different materials. Standing wave (SW) spectroscopies have also been applied to PdCoO2, a material of interest due to its high conductivity and electron-hydrodynamic tendencies. This material can be modeled as an alternating layered structure consisting of metallic Pd layers and insulating CoO2 layers. Using SW XPS, the total electronic structure has been decomposed into contributions from the two layers, and computations highlighted the different many-body interactions in the two layers (Comm. Phys. 4, 143 (2021)). We have also used hard-x-ray angle-resolved photoemission spectroscopy (ARPES), to investigate LaB6, a technologically important material with widespread application as a cathode material for electron microscopes. We measured the bulk electronic structure of this material and found that the one-step model of photoemission better captured the electronic structure and correlations. This model treats the three steps of the photoemission process—excitation, transport of the photoelectron to the crystal surface, and escape into the vacuum—as a single quantum mechanically coherent process (Phys. Rev. Mater. 5, 055002 (2021)). We also applied x-ray photoelectron spectroscopy, implemented in a near total reflection grazing incidence geometry to elucidate technologically relevant interfaces, such as those between a substrate and photoresist (J. Phys. D: Appl. Phys. 54 464002 (2021)).

36 MATERIALS SCIENCE↗
DOE OSTI2016

Magnetic and electrical control of engineered materials

Methods, systems, and devices are disclosed for controlling the magnetic and electrical properties of materials. In one aspect, a multi-layer structure includes a first layer comprising a ferromagnetic or ferrimagnetic material, and a second layer positioned within the multi-layer structure such that a first surface of the first layer is in direct physical contact with a second surface of the second layer. The second layer includes a material that undergoes structural phase transitions and metal-insulator transitions upon experiencing a change in temperature. One or both of the first and second layers are structured to allow a structural phase change associated with the second layer cause a change magnetic properties of the first layer.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Annealing induced structural changes in amorphous Co{sub 23}Fe{sub 60}B{sub 17} film on Mo buffer layer

Structural changes occurring in a thin amorphous Co{sub 23}Fe{sub 60}B{sub 17} film sandwiched between two Mo layers, as a function of thermal annealing has been studied. Thermal stability of the Co{sub 23}Fe{sub 60}B{sub 17} film is found to be significantly lower than the bulk ribbons. SIMS measurements show that during crystallization, boron which is expelled out of the crystallites, has a tendency to move towards the surface. No significant diffusion of boron in Mo buffer layer is observed. This result is in contrast with some earlier studies where it was proposed that the role of buffer layer of refractory metal is to absorb boron which is expelled out of the bcc FeCo phase during crystallization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Structural and Chemical Evolution of Li- and Mn-rich Layered Cathode Material

Lithium (Li)- and manganese-rich (LMR) layered-structure materials are very promising cathodes for high energy density lithium-ion batteries. However, their voltage fading mechanism and its relationships with fundamental structural changes are far from being sufficiently understood. Here we report the detailed phase transformation pathway in the LMR cathode (Li[Li0.2Ni0.2Mn0.6]O2) during cycling for the samples prepared by hydro-thermal assistant method. It is found the transformation pathway of LMR cathode is closely correlated to its initial structure and preparation conditions. The results reveal that LMR cathode prepared by HA approach experiences a phase transformation from the layered structure to a LT-LiCoO2 type defect spinel-like structure (Fd-3m space group) and then to a disordered rock-salt structure (Fm-3m space group). The voltage fade can be well correlated with the Li ion insertion into octahedral sites, rather than tetrahedral sites, in both defect spinel-like structure and disordered rock-salt structure. The reversible Li insertion/removal into/from the disordered rock-salt structure is ascribed to the Li excess environment that can satisfy the Li percolating in the disordered rock-salt structure despite the increased kinetic barrier. Meanwhile, because of the presence of a great amount of oxygen vacancies, a significant decrease of Mn valence is detected in the cycled particle, which is below that anticipated for a potentially damaging Jahn-Teller distortion (+3.5). Clarification of the phase transformation pathway, cation redistribution, oxygen vacancy and Mn valence change undoubtedly provides insights into a profound understanding on the voltage fade, and capacity degradation of LMR cathode. The results also inspire us to further enhance the reversibility of LMR cathode via improving its surface structural stability.

Cation redistribution↗
DOE OSTI2013

Multi-layer laminate structure and manufacturing method

The present invention is premised upon a multi-layer laminate structure and method of manufacture, more particularly to a method of constructing the multi-layer laminate structure utilizing a laminate frame and at least one energy activated flowable polymer.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Interfacial ionic ‘liquids’: connecting static and dynamic structures

It is well known that room temperature ionic liquids (RTILs) often adopt a charge-separated layered structure, i.e. with alternating cation- and anion-rich layers, at electrified interfaces. However, the dynamic response of the layered structure to temporal variations in applied potential is not well understood. We used in situ, real-time x-ray reflectivity to study the potential-dependent electric double layer (EDL) structure of an imidazolium-based RTIL on charged epitaxial graphene during potential cycling as a function of temperature. The results suggest that the graphene–RTIL interfacial structure is bistable in which the EDL structure at any intermediate potential can be described by the combination of two extreme-potential structures whose proportions vary depending on the polarity and magnitude of the applied potential. This picture is supported by the EDL structures obtained by fully atomistic molecular dynamics simulations at various static potentials. The potential-driven transition between the two structures is characterized by an increasing width but with an approximately fixed hysteresis magnitude as a function of temperature. The results are consistent with the coexistence of distinct anion- and cation-adsorbed structures separated by an energy barrier (~0.15 eV).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Method of forming a package for MEMS-based fuel cell

A MEMS-based fuel cell package and method thereof is disclosed. The fuel cell package comprises seven layers: (1) a sub-package fuel reservoir interface layer, (2) an anode manifold support layer, (3) a fuel/anode manifold and resistive heater layer, (4) a Thick Film Microporous Flow Host Structure layer containing a fuel cell, (5) an air manifold layer, (6) a cathode manifold support structure layer, and (7) a cap. Fuel cell packages with more than one fuel cell are formed by positioning stacks of these layers in series and/or parallel. The fuel cell package materials such as a molded plastic or a ceramic green tape material can be patterned, aligned and stacked to form three dimensional microfluidic channels that provide electrical feedthroughs from various layers which are bonded together and mechanically support a MEMS-based miniature fuel cell. The package incorporates resistive heating elements to control the temperature of the fuel cell stack. The package is fired to form a bond between the layers and one or more microporous flow host structures containing fuel cells are inserted within the Thick Film Microporous Flow Host Structure layer of the package.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2015

Demonstration of a three-dimensional photonic crystal nanocavity in a 〈110〉-layered diamond structure

We experimentally demonstrate a three-dimensional photonic crystal (3D PC) nanocavity in a 〈110〉-layered diamond structure with a quality factor (Q-factor) of 12 800 at a wavelength of 1.1 μm. The observed Q is 1.2 times higher than that of a 3D PC nanocavity in a woodpile structure with the same in-plane size and the same number of stacked layers. This result indicates the potential importance of the 〈110〉-layered diamond structure for getting high Q 3D PC nanocavities within a limited in-plane space.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗