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At least 1,585 records · Page 88

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NASA NTRS2004

Thermal-Structural Optimization of Integrated Cryogenic Propellant Tank Concepts for a Reusable Launch Vehicle

A next generation reusable launch vehicle (RLV) will require thermally efficient and light-weight cryogenic propellant tank structures. Since these tanks will be weight-critical, analytical tools must be developed to aid in sizing the thickness of insulation layers and structural geometry for optimal performance. Finite element method (FEM) models of the tank and insulation layers were created to analyze the thermal performance of the cryogenic insulation layer and thermal protection system (TPS) of the tanks. The thermal conditions of ground-hold and re-entry/soak-through for a typical RLV mission were used in the thermal sizing study. A general-purpose nonlinear FEM analysis code, capable of using temperature and pressure dependent material properties, was used as the thermal analysis code. Mechanical loads from ground handling and proof-pressure testing were used to size the structural geometry of an aluminum cryogenic tank wall. Nonlinear deterministic optimization and reliability optimization techniques were the analytical tools used to size the geometry of the isogrid stiffeners and thickness of the skin. The results from the sizing study indicate that a commercial FEM code can be used for thermal analyses to size the insulation thicknesses where the temperature and pressure were varied. The results from the structural sizing study show that using combined deterministic and reliability optimization techniques can obtain alternate and lighter designs than the designs obtained from deterministic optimization methods alone.

Johnson, Theodore F.↗

DOE OSTI2021

Atomic Structure of the Initial Nucleation Layer in Hexagonal Perovskite BaRuO 3 Thin Films

Hexagonal perovskites are an attractive family of materials due to their various polymorphs and rich structure–property relationships. BaRuO 3 (BRO) is a prototypical hexagonal perovskite, in which the electromagnetic properties are significantly modified depending on its lattice structure. Whereas thin-film synthesis would allow the study of the diverse properties of hexagonal perovskites by epitaxially stabilizing various metastable polymorphs, the epitaxial growth of hexagonal perovskites, especially at the initial growth stage, is yet to be addressed. In this study, it is shown that an intriguing nucleation behavior takes place during the initial stabilization of a hexagonal 9R BRO thin film deposited on a (111) SrTiO 3 (STO) substrate. It is found that a nanoscale strained layer composed of different RuO 6 octahedral stacking is initially formed at the interface followed by a relaxed single crystal 9R BRO thin film. Within the interface layer, hexagonal BRO is nucleated on the (111) STO substrate by both face- and corner-sharing octahedra. More interestingly, it is found that boundaries between differently stacked nucleation layers (heterostructural boundaries) facilitate strain relaxation, in addition to the formation of conventional misfit dislocations evolved from homostructural boundaries. The observations reveal an important underlying mechanism to understand the thin-film epitaxy and strain accommodation in hexagonal perovskites.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Freestanding Photoresist Film: A Versatile Template for Three-Dimensional Micro- and Nanofabrication

Ultrathin freestanding films with well-defined micro/nanostructures and robust mechanical properties are applied in many engineering applications including microelectronics, optics, filtration and separation, biomedical engineering, and nanotechnology. Although considerable efforts have been made toward the fabrication of freestanding thin films, it is still a significant challenge to develop a simple and reliable process for producing freestanding films with ultrathin thickness, well-regulated micro/nanopatterns, robust mechanical properties, macroscopic coverage area, and multi-layered composite structures. In this work, a significant advancement is reported in this regard. This study shows a new sacrificial-layer-free (SLF) lifting-off process, integrated with conventional micro- and nanolithography, enabling the release of micro- and nanopatterned photoresist (PR) films from the supporting substrate with unprecedented pattern coverage and structure characteristics. The freestanding PR film is resilient, can withstand significant bending and deformation, and is sufficiently flexible to be transferred onto substrates with 3D topography as a conformal soft stencil for further technological processing and applications. Moreover, the SLF lifting-off process provides a simple approach to prepare single-layered and multi-layered freestanding composite films. The results suggest that the novel SLF lifting-off process can significantly extend the capability of 3D micro-/nanofabrication.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Asymmetric effects in three-dimensional spatially-developing mixing layers

Three-dimensional structures in spatially developing mixing layers are examined using direct numerical simulations. The growth of streamwise vortices and their interaction with the main two-dimensional rollers as well as the effects of the observed hydrodynamic structures on asymmetric entrainment and mixing are studied. It is found that, at low Reynolds number, the streamwise vortices reduce the entrainment asymmetry of the two-dimensional flow. Passive scalar mixing is quantified by calculating the amount of combustion product produced by a fast chemical reaction. It is shown that the temporally developing case is easier to simulate, but contains an extra symmetry not present in spatially developing flows.

Buell, Jeffrey C.↗

DOE OSTI2021

Octahedral rotations in Ruddlesden-Popper layered oxides under pressure from first principles

The combination of reduced dimensionality and tunable structural distortions in layered perovskite oxides makes these materials ideal platforms for designing novel properties and functionalities. One example is hybrid improper ferroelectricity in n = 2 Ruddlesden-Popper oxides, where the combination of a layered crystal structure and rotations of the metal-oxide octahedra break symmetry and induce a polarization. Precisely controlling the octahedral rotation distortions, for example by the application of hydrostatic pressure, provides a pathway to tune and optimize the properties of these materials. Here we combine group theoretic methods, density functional theory calculations, and Landau theory analysis to investigate how octahedral rotations respond to pressure in the hybrid improper ferroelectrics Sr 3 Zr 2 O 7 , Ca 3 Ti 2 O 7 , and Sr 3 Sn 2 O 7 . We find that factors that are known to control the pressure response of ABO 3 perovskites—the formal charge of the A- and B-site cations, tolerance factor, and B-site chemistry—also impact the pressure response of these layered perovskites. We also show that coupling between the octahedral rotation and strain order parameters plays a key role in determining the overall pressure response. Despite some similarities, we find that these layered perovskites display a distinct pressure response compared to their ABO 3 perovskite analogs. By identifying trends and underlying mechanisms that control octahedral rotations in Ruddlesden-Popper oxides under pressure, this work lays the foundation for tailoring the structure and properties of these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Compressive properties of silicone Bouligand structures

Abstract This article presents an examination of silicone, Bouligand lattices in compression. Appearing frequently in biological organisms and manufacturing design, Bouligand structures comprise layers of parallel strands or fibers oriented in a helical fashion. They can exhibit exceptional fracture resistance when composed of rigid or composite materials. The behavior of elastomeric Bouligand structures, however, is less well understood. Additively manufactured (AM) elastomeric lattices have applications in stress mitigation, medical devices, and soft robotics. This article demonstrates that Bouligand structures are a useful addition to the design space of AM elastomers. By adjusting the layer-rotation parameters, lattice stress can increase by more than 300% without altering the porosity. Additionally, we introduce path length metrics that help explain the observed relationship between layer rotation and compression response. Impact statement Additive manufacturing (AM) continues to push the boundary of manufacturable structures and enhance the ability to robustly design for specific properties and behaviors. The more we understand the design space of a novel AM microstructure, the greater its application range. In this article, we describe the mechanical behavior of helicoidal, elastomeric lattices and introduce path length metrics to help explain their stress response. We show that these structures can exhibit a large range of mechanical behaviors in compression, making them well suited for applications such as stress mitigation and impact absorption. Additionally, the path length metrics could become useful design tools and may be applicable to a larger set of cellular structures. These findings expand our ability to rapidly design materials with highly specific and customizable properties to meet the needs of modern engineering challenges. Graphical abstract

Van Meerbeek, I. M. (ORCID:000000021258132X)↗

NASA NTRS2009

Piezoelectrically enhanced photocathode

A photocathode, for generating electrons in response to incident photons in a photodetector, includes a base layer having a first lattice structure and an active layer having a second lattice structure and epitaxially formed on the base layer, the first and second lattice structures being sufficiently different to create a strain in the active layer with a corresponding piezoelectrically induced polarization field in the active layer, the active layer having a band gap energy corresponding to a desired photon energy.

Beach, Robert A.↗

DOE OSTI2018

Electronic structure, pore size distribution, and sorption characterization of an unusual MOF, {[Ni(dpbz)][Ni(CN) 4 ]} n , dpbz = 1,4-bis(4-pyridyl)benzene

The monoclinic (Ni(L)[Ni(CN) 4 ] (L= 1,4-Bis(4-pyridyl) benzene) compound (defined as Ni-dpbz) is a flexible metal organic framework which assumes a pillared structure with layers defined by 2D Ni[Ni(CN) 4 ] n nets and dpbz ligands as pillars. The structure features an entrapped dpbz ligand that links between the open ends of four-fold Ni sites from two neighboring chains. This arrangement results in an unusual 5-fold pseudo square-pyramid environment for Ni and a significantly long Ni-N distance of 2.369(4) Å. Herein, using Density Functional Theory calculations, the different bonding characteristics between the 5-fold and 6-fold Ni's were determined. We found that there is weak covalent bonding between the 5-fold Ni and N in the entrapped ligand, and the 6-fold Ni-N bonds provide effective electronic conduction. The disordered dimethyl sulfoxide (DMSO) solvent molecules are not bonded to the framework. The material has a single pore with a diameter of 4.1 Å. This pore includes approximately 55% of the total free volume (based on a zero-diameter probe). The accessible pore surface area and pore volume were calculated to be 507 m 2 /g and 6.99 cm 3 /kg, respectively. The maximum amount of CO 2 that can be accommodated in the pores after DMSO is removed was found to be 204 mg/g, agreeing with the results of adsorption/desorption experiments of about 220 mg/g.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Ambient melting behavior of stoichiometric uranium oxides

As UO 2 is easily oxidized during the nuclear fuel cycle it is important to have a detailed understanding of the structures and properties of the oxidation products. Experimental work over the years has revealed many stable uranium oxides including UO 2 , U 4 O 9 (UO 2.25 ), U 3 O 7 (UO 2.33 ), U 2 O 5 (UO 2.5 ), U 3 O 8 (UO 2.67 ), and UO 3 , all with a number of different polymorphs. These oxides are broadly split into two categories, fluorite-based structures with stoichiometries in the range of UO 2 to UO 2.5 and less dense layered-type structures with stoichiometries in the range of UO 2.5 to UO 3 . While UO 2 is well characterized, both experimentally and computationally, there is a paucity of data concerning higher stoichiometry oxides in the literature. In this work we determine the ambient melting points of all the six stoichiometric uranium oxides listed above and compare them to the available experimental and/or theoretical data. We demonstrate that a family of the six ambient melting points map out a solid-liquid transition boundary consistent with the high-temperature portion of the phase diagram of uranium-oxygen system suggested by Babelot et al.

Burakovsky, Leonid↗

NASA NTRS1996

Micro heat pipe panels and method for producing same

Flat or curved micro heat pipe panels are fabricated by arranging essentially parallel filaments in the shape of the desired panel. The configuration of the filaments corresponds to the desired configuration of the tubes that will constitute the heat pipes. A thermally conductive material is then deposited on and around the filaments to fill in the desired shape of the panel. The filaments are then removed, leaving tubular passageways of the desired configuration and surface texture in the material. The tubes are then filled with a working fluid and sealed. Composite micro heat pipe laminates are formed by layering individual micro heat pipe panels and bonding them to each other to form a single structure. The layering sequence of the micro heat pipe panels can be tailored to transport heat preferentially in specific directions as desired for a particular application.

Camarda, Charles J.↗

NASA NTRS1997

Method for producing micro heat panels

Camarda, Charles J.↗

NASA NTRS2004

Model of the Plasma Potential Distribution in the Plume of a Hollow Cathode

In this paper we present results from a new model of the plasma potentials in the plume just downstream of the hollow cathode keeper. We examine the electron drift velocity as the hollow cathode plasma and neutral gas expand downstream of the keeper. If the drift velocity exceeds the thermal velocity a double layer potential structure develops that is the source of hot electrons. Ions are accelerated upstream through the double layer. The locations of the double layers are calculated using a simple model. It is shown that as the cathode gas flow increases, the location of the double layer moves farther downstream.

ion propulsion↗

NASA NTRS1977

LPE growth of GaAs-Ga/1-x/Al/x/As solar cells

The procedures for the liquid phase epitaxial (LPE) growth of high efficiency p-Ga(1-x)Al(x)As,p-GaAs,n-GaAs solar cells have been developed. The methods are based on forming the structure by a one-step process in which the Zn-diffused p-n junction in the n-type GaAs substrate forms in conjunction with the LPE growth of the Zn-doped p-Ga(1-x)Al(x)As layer. For structures with 1-10 micron thick Ga(1-x)Al(x)As layers, an isothermal soak of the GaAs substrate in a saturated Ga-Al-As: Zn melt followed by ramp cooling produces good cells. For structures with less than one micron thick Ga(1-x)Al(x)As layers, it is necessary to isothermally soak the GaAs substrate in an undersaturated melt, and ramp cooling is not required.

Woodall, J. M.↗

DOE OSTI2016

Observations of two-dimensional monolayer zinc oxide

Highlights: • Synthesis of planer ZnO nanostructure. • Observation of multilayered and monolayer ZnO. • DFT calculation of (10-10), (11-20) and (0 0 0 1) planes of ZnO. • Stability of non-polar (10-10) and (11-20) planes of ZnO. - Abstract: This letter reports the observations of planar two-dimensional ZnO synthesized using the hydrothermal growth technique. High-resolution transmission electron microscopy revealed the formation of a two-dimensional honeycomb lattice and aggregated structures of layered ZnO. The nonpolar (10-10) and (11-20) planes were present in the X-ray diffraction patterns, but the characteristic (0 0 0 1) peak of bulk ZnO was absent. The study found that nonpolar freestanding ZnO structures composed of a single or few layers may be more stable and may have a higher probability of formation than their polar counterparts. The stability of the nonpolar two-dimensional hexagonal ZnO slabs is supported by density functional theory studies.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Study of the Structural Properties of Silicon-on-Sapphire Layers in Hydride-Chloride Vapor-Phase Epitaxy

The surface of silicon-on-sapphire (SOS) epitaxial layers is studied by atomic-force microscopy and the UV (ultraviolet) scattering method. X-Ray diffraction analysis of the SOS layers is carried out. The silicon-sapphire transition region is studied by the photovoltage method. The problem of the accumulation of by-products formed during the synthesis of silicon from monosilane is considered and experimentally confirmed. It is found that the addition of chlorine-containing reagents to the epitaxial process makes it possible to exclude the influence exerted by these products on the growing layer and also to modify the surface microprofile. Analysis of the surface and structure of the SOS layers demonstrates that film growth occurs by the Stranski–Krastanov mechanism. It is shown that a combined method in which a 30–60-nm-thick SOS layer is preliminarily grown from pure SiH{sub 4} and then a layer is additionally grown at a 2SiH{sub 4}:1SiC1{sub 4} ratio of gas component flow rates is the most preferable method for the fabrication of SOS structures with layer thicknesses of 300 nm and more.

36 MATERIALS SCIENCE↗

NASA NTRS1996

The structure of variable property, compressible mixing layers in binary gas mixtures

We present the results of a study of the structure of a parallel compressible mixing layer in a binary mixture of gases. The gases included in this study are hydrogen (H2), helium (He), nitrogen (N2), oxygen (02), neon (Ne) and argon (Ar). Profiles of the variation of the Lewis and Prandtl numbers across the mixing layer for all thirty combinations of gases are given. It is shown that the Lewis number can vary by as much as a factor of eight and the Prandtl number by a factor of two across the mixing layer. Thus assuming constant values for the Lewis and Prandtl numbers of a binary gas mixture in the shear layer, as is done in many theoretical studies, is a poor approximation. We also present profiles of the velocity, mass fraction, temperature and density for representative binary gas mixtures at zero and supersonic Mach numbers. We show that the shape of these profiles is strongly dependent on which gases are in the mixture as well as on whether the denser gas is in the fast stream or the slow stream.

Kozusko, F.↗

DOE OSTI2015

Structural phase transitions of ionic layered PbFX (X = Cl{sup −}or Br{sup –}) compounds under high pressure

The PbFX (X = Cl{sup –}or Br{sup –}) compounds crystallize in tetragonal structure with space group P4/nmm. High pressure X-ray diffraction studies carried out on PbFCl compound reveals that it undergoes pressure induced structural transitions at ∼18 GPa and ∼38 GPa to orthorhombic and monoclinic (P2{sub 1}/m) phases respectively. Like PbFCl, a similar phase transition from tetragonal to orthorhombic phase is observed in PbFBr at intermediate pressure. These phase transitions seem to be similar to the transitions involving other matlockite structure compounds such as BaFX (X = Cl{sup –}, Br{sup –}or I{sup –}). PbFCl has a larger structural stability range compared to BaFCl and is attributed to the large anisotropic coordination of the Pb{sup 2+} and Cl{sup –}ions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Molecular-scale origins of wettability at petroleum–brine–carbonate interfaces

Wettability control of carbonates is a central concept for enhanced petroleum recovery, but a mechanistic understanding of the associated molecular-scale chemical processes remains unclear. We directly probe the interface of calcium carbonate (calcite) with natural petroleum oil, synthetic petroleum analogues, and aqueous brines to understand the molecular scale behavior at this interface. The calcite–petroleum interface structure is similar whether or not calcite was previously exposed to an aqueous brine, and is characterized by an adsorbed interfacial layer, significant structural changes within the calcite surface, and increased surface roughness. No evidence for an often-assumed thin-brine wetting layer at the calcite–petroleum interface is observed. These features differ from those observed at the calcite–brine interface, and for parallel measurements using model synthetic petroleum mixtures (consisting of representative components, including dodecane, toluene, and asphaltene). Changes to the interface after petroleum displacement by aqueous brines are also discussed.

02 PETROLEUM↗