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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

ALPS: The Age-Layered Population Structure for Reducing the Problem of Premature Convergence

To reduce the problem of premature convergence we define a new attribute of an individual, its age, and propose the Age-Layered Population Structure (ALPS), in which age is used to restrict competition and breeding between members of the population. ALPS differs from a typical EA by segregating individuals into different age-layers by their age - a measure of how long the genetic material has been in the population - and by regularly replacing all individuals in the bottom layer with randomly generated ones. The introduction of new, randomly generated individuals at regular intervals results in an EA that is never completely converged and is always looking at new parts of the fitness landscape. By using age to restrict competition and breeding search is able to develop promising young individuals without them being dominated by older ones. We demonstrate the effectiveness of the ALPS algorithm on an antenna design problem in which evolution with ALPS produces antennas more than twice as good as does evolution with two other types of EAs. Further analysis shows that the ALPS model does allow the offspring of newly generated individuals to move the population out of mediocre local-optima to better parts of the fitness landscape.

Hornby, Gregory S.↗
DOE OSTI2020

The effect of chemically preintercalated alkali ions on the structure of layered titanates and their electrochemistry in aqueous energy storage systems

We introduce a novel chemical preintercalation synthesis technique based on a hydrogen peroxide induced sol–gel process to obtain alkali ion containing ternary layered titanates (MTO, where M = Li, Na, K). Synthesis parameters leading to the formation of single-phase materials with homogeneous elemental distribution are reported for each of the preintercalated ions. Our analyses indicate that the interlayer spacing in the structure of the layered titanates increases with the increase of the radius of the hydrated preintercalated ion. Scanning and transmission electron microscopy imaging revealed morphological diversity: the LTO phase crystallized as nanoplates assembled in “peony-like” spherical agglomerates while NTO and KTO particles exhibited a one-dimensional nanobelt or wire-like morphology, with the KTO nanobelts being shorter and more aggregated than the NTO nanobelts. Structural refinement corroborated by electron diffraction and high-resolution transmission electron microscopy revealed that the structure of the LTO phase is built by stacking Ti–O layers containing a single straight layer of connected TiO 6 octahedra. The layers in NTO and KTO structures form differently and consist of double Ti–O layers with two titanium rows and ragged arrangement of units built by TiO6 octahedra. The NTO electrodes exhibited the highest electrochemical performance in cells with aqueous 1 M Na 2 SO 4 electrolyte, followed by the KTO electrodes and then LTO electrodes, and this trend is maintained at various scan rates. The established relationships between the structure and electrochemical performance reveal that, in addition to interlayer distance and chemistry of the interlayer region, the structure of the layers can play an important role in charge storage properties of layered oxide electrodes. The double Ti–O layers in the structure of NTO and KTO phases provide a larger number of redox centers which could contribute to the superior electrochemical performance as compared to the LTO electrodes. Our findings indicate that layered materials containing double transition metal oxide layers are promising candidates for exfoliation and assembly with electronically conductive layers with the aim to create 2D heterostructures with high electrochemical performance.

25 ENERGY STORAGE↗
NASA NTRS2010

Very Large-Scale Motions in Smooth and Rough Wall Boundary Layers

Structural skeleton of high Reynolds number flow gives insight into smooth and rough walls. (modeling implications not yet clear) Dynamic roughness as a model of "designer" roughness: a) Impose length scale(s) and dominant frequency. b) Irregular roughness well-represented by first "few" POD modes (Christensen, 2009). Experiments and simple model demonstrate: a) Harmonics associated with forcing (and w) important. b) Change to the mean profile (skin friction).

McKeon, Beverley J.↗
DOE OSTI2021

Tailorable multifunctionalities in ultrathin 2D Bi-based layered supercell structures

Two-dimensional (2D) materials with robust ferromagnetic behavior have attracted great interest because of their potential applications in next-generation nanoelectronic devices. Aside from graphene and transition metal dichalcogenides, Bi-based layered oxide materials are a group of prospective candidates due to their superior room-temperature multiferroic response. In this work, an ultrathin Bi 3 Fe 2 Mn 2 O 10+δ layered supercell (BFMO322 LS) structure was deposited on an LaAlO 3 (LAO) (001) substrate using pulsed laser deposition. Microstructural analysis suggests that a layered supercell (LS) structure consisting of two-layer-thick Bi–O slabs and two-layer-thick Mn/Fe–O octahedra slabs was formed on top of the pseudo-perovskite interlayer (IL). A robust saturation magnetization value of 129 and 96 emu cm -3 is achieved in a 12.3 nm thick film in the in-plane (IP) and out-of-plane (OP) directions, respectively. The ferromagnetism, dielectric permittivity, and optical bandgap of the ultrathin BFMO films can be effectively tuned by thickness and morphology variation. In addition, the anisotropy of all ultrathin BFMO films switches from OP dominating to IP dominating as the thickness increases. This study demonstrates the ultrathin BFMO film with tunable multifunctionalities as a promising candidate for novel integrated spintronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

The simulation on absorption properties of metamaterial/GaAs/electrode layer hybrid structure based Terahertz photoconductive detector

Terahertz (THz) photodetectors have attracted great attention from scientists worldwide for their application in security checking, biomedical treatment and astronomical observation of remote stars and distant galaxies. As a typical THz detector, extrinsic GaAs based photoconductive detector is facing critical technical bottlenecks in the epitaxial growth of sufficiently thick and high-quality GaAs absorption layer. In this work, a novel THz photoconductive detector based on metamaterial/GaAs/electrode layer hybrid structure was designed and simulated. By setting the periodic split ring resonator (SRR) structure as 88 μm pitch with 8 μm width, the absorption peaks exist at the wavelength of about 142 and 367 μm, which originate from the resonant cavity and the SRR dipole resonance effect, and the novel device shows a significant enhancement compared with the conventional GaAs photoconductive detector. Thus, the necessary thickness of GaAs absorption-layer is largely reduced, and the resonant absorption peak can be modulated by changing the thickness of absorption layer. This work provides a novel device structure which can solve the critical epitaxial growth bottleneck of GaAs photoconductive detector and used for the astronomical observation, security check, etc.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2020

Determination of Lidar Ratio for Major Aerosol Types over Western North Pacific Based on Long-Term MPLNET Data

East Asia is the most complex region in the world for aerosol studies, as it encounters a lot of varieties of aerosols, and aerosol classification can be a challenge in this region. In the present study, we focused on the relationship between aerosol types and aerosol optical properties. We analyzed the long-term (2005–2012) data of vertical profiles of aerosol extinction coefficients, lidar ratio (Sp), and other aerosol optical properties obtained from a NASA Micro-Pulse Lidar Network and Aerosol Robotic Network site in northern Taiwan, which frequently receives Asian continental outflows. Based on aerosol extinction vertical profiles, the profiles were classified into two types: type 1 (single-layer structure) and type 2 (two-layer structure). Fall season (October–November) was the prevailing season for the Type 1, whereas type 2 mainly happened in spring (March–April). In type 1, air masses normally originated from three regional sectors, i.e., Asia continental (AC), Pacific Ocean (PO), and Southeast Asia (SA). The mean Sp values were 39 ± 17 sr, 30 ± 12 sr, and 38 ± 18 sr for the AC, PO, and SA sectors, respectively. The Sp results suggested that aerosols from the AC sector contained dust and anthropogenic particles, and aerosols from the PO sector were most likely sea salts. We further combined the EPA dust event database and backward trajectory analysis for type 2. Results showed that Sp was 41 ± 14 sr and 53 ± 21 sr for dust storm and biomass-burning events, respectively. The Sp for biomass-burning events in type 2 showed two peaks patterns. The first peak occurred within range of 30–50 sr corresponding to urban pollutant, and the second peak occurred within range of 60–80 sr in relation to biomass burning. Finally, our study summarized the Sp values for four major aerosol types over northern Taiwan, viz., urban (42 ± 18 sr), dust (34 ± 6 sr), biomass-burning (69 ± 12 sr), and oceanic (30 ± 12 sr). Our findings provide useful references for aerosol classification and air pollution identification over the western North Pacific.

Sheng-Hsiang Wang↗
NASA NTRS2019

Evaluation of the Antarctic Boundary Layer Thermodynamic Structure In MERRA2 Using Dropsonde Observations from the Concordiasi Campaign

Recent high-resolution dropsonde observations from the 2010 Concordiasi field campaign in austral spring season show that surface-based inversions (SBIs) over Antarctica are frequently eroded, with well-mixed boundary layers occurring 33% and 18% of the time in West and East Antarctica, respectively. In this study, using the dropsonde observations, we evaluate the performance of the Modern-Era Retrospective analysis for Research and Applications, version 2 (MERRA2) in representing the Antarctic boundary layer thermodynamic structure. Results show that MERRA2 has a good overall representation of the Antarctic surface stability and correctly predicts 82% of the SBIs. However, an under prediction of less stable boundary layer occurrence, especially over the elevated East Antarctic plateau, is favored during conditions of increased lower tropospheric stability associated with model dynamics, indicating difficulty in parameterizing turbulence in very stable boundary layers. In addition, a lower tropospheric cool bias (first model level and above) is observed in the MERRA2 reanalysis, especially over West Antarctica, which amplifies in the boundary layer during mixed conditions. The near-surface cold bias is most pronounced when the model fails to predict mixed layers over West Antarctica, and is expected to negatively impact the representation of surface energy budget and melt processes.

Manisha Ganeshan↗
DOE OSTI2026

pH-Driven Restructuring of Hydration Layers and Cation Ad-sorption at the Alumina-Water Interface

Oxide-water interfaces underpin ion separation, catalysis, and electrochemical energy technologies, where the electrical double layer (EDL) controls adsorption, transport, and reactivity. Yet, the molecular-scale link between pH-dependent surface protonation, hydration-layer structure, and counter-ion adsorption remains poorly defined. Here, we combine in situ crystal truncation rod (CTR) and resonant anomalous X-ray reflectivity (RAXR) with streaming potential measurements and ab initio molecular dynamics (AIMD) simulations to resolve the chemical and structural evolution of the EDL at the single-crystal alumina (012)-water interface in 10 mM Rb+ over pH 3-12. CTR measurements reveal two distinct adsorbed water layers at ~2.2 and ~3.5 Å above the surface that each shift toward the substrate at transition pHs near 6.5 and 10.6, respectively, directly reflecting changes in primary hydration layer structure in response to the deprotonation of bridging and terminal aluminol groups. RAXR shows a 10-fold increase in Rb+ coverage and a decrease in mean adsorption height from ~3.5 to ~2.7 Å with increasing pH, indicating enhanced counter-ion binding accompanied by Stern layer contraction. Streaming potential measurements demonstrate that the zeta potential, i.e., potential at the hydrodynamic shear plane, is positive at pH 3 and becomes negative at pH ≥3.5. This negative charge magnitude increases with increasing pH, consistent with progressive surface deprotonation at higher pH. AIMD identifies inner- and outer-sphere Rb+ complexes whose adsorption heights and coordination geometries depend sensitively on the protonation state of surface oxygens, providing atomistic support for the experimentally inferred trends. These measurements establish two discrete, site-specific pH transitions in hydration-layer structure that track aluminol (de)protonation and quantitatively link them to a pH-driven contraction of the Stern layer (increasing Rb+ coverage and decreasing adsorption height). This provides a direct structural basis for connecting surface acid-base chemistry to ion binding distances at an oxide-water interface.

Electrical double layer (EDL), Surface protonation↗
DOE OSTI2026

pH-Driven Restructuring of Hydration Layers and Cation Adsorption at the Alumina–Water Interface

Oxide−water interfaces underpin ion separations, catalysis, and electrochemical energy technologies, where the electrical double layer (EDL) controls adsorption, transport, and reactivity. However, the molecular-scale links between pHdependent surface protonation, hydration-layer structure, and counterion adsorption remain poorly defined. Here, we combine in situ crystal truncation rod (CTR) and resonant anomalous X-ray reflectivity (RAXR) with streaming potential measurements and ab initio molecular dynamics (AIMD) simulations to resolve the chemical and structural evolution of the EDL at the single-crystal alumina (012)−water interface in 10 mM Rb + over pH 3−12. CTR measurements reveal two distinct adsorbed water layers at ∼2.2 and ∼3.5 Å above the surface. Each water layer shifts toward the substrate at transition pHs near 6.5 and 10.6, respectively, reflecting changes in primary hydration layer structure in response to the deprotonation of bridging and terminal aluminol groups. RAXR shows a 10-fold increase in Rb + coverage and a decrease in mean adsorption height from ∼3.5 to ∼2.7 Å with increasing pH, indicating enhanced counterion binding accompanied by Stern layer contraction. Streaming potential measurements demonstrate that the zeta potential, i.e., the potential at the hydrodynamic shear plane, is positive at pH 3 and becomes negative at pH ≥ 3.5. The negative charge magnitude increases with increasing pH, consistent with progressive surface deprotonation at higher pH. AIMD identifies inner- and outer-sphere Rb+ complexes whose adsorption heights and coordination geometries depend sensitively on the protonation state of surface oxygens, providing atomistic support for the experimentally inferred trends. These measurements establish two discrete, site-specific pH transitions in hydration-layer structure that track aluminol (de)protonation and quantitatively link them to a pH-driven contraction of the Stern layer (increasing Rb + coverage and decreasing adsorption height). This provides a direct structural basis for connecting surface acid−base chemistry to ion binding distances at an oxide−water interface.

Adsorption↗
DOE OSTI2025

Multimetallic Layered Composites (MMLCs) for Rapid, Economical Advanced Reactor Deployment (Final Report)

This project focused on the development of multi-metallic layered composites (MMLCs) for advanced fission reactor technologies. There are many instances where one alloy or material simply cannot meet all the demands thrown at it by a reactor system, or cannot allow it to perform as strongly as one would like. Instead of focusing all our effort on developing one perfect alloy, we seek to leverage the design principle of “separation of functionality,” used in many other arenas in design, to boost performance beyond single alloys alone. One illustrative example shows the power of this approach for molten salt-cooled reactors: A three meter tall, three meter diameter reactor vessel made of Incoloy 800 was quoted at $\$$500k in 2018. A Hastelloy N vessel was quoted at $\$$5M. An MMLC vessel, in which a layer of Hastelloy N would be weld-overlaid onto Incoloy 800, was quoted at $\$$700k, and it would achieve the same performance. The potential economic gains of leveraging this approach are therefore substantial. At a minimum, each MMLC would contain one core structural layer and one coolant-facing corrosion-resistant layer. Sometimes, MMLCs required buffer layers, as the structural and corrosion-resistant layers were metallurgically incompatible. In other words, they didn’t always play nice, thus separating layers compatible with both functioned as intermediaries to keep the composite together. However, in doing so we inevitably produce new interfaces, where new issues can arise. Therefore, this project focused on what happens at these interfaces from a combination of high temperatures, irradiation, corrosion, and time. After all, a reactor makes money when it is operating, and outages of any kind erode its economic viability. First, we set out to experimentally prove that MMLCs for at least two advanced reactor systems can be made, today, in US domestic facilities. In this respect we were successful – one MMLC (a Ni-201/Incoloy 800H composite) was successfully made and drawn into two-inch coolant piping. Others were attempted, though new issues relating to cracking in vanadium layers for one and radiation damage performance of the corrosion-resistant layer in another prevented us from moving further in those specific arenas – these are engineering problems which deserve continued focus after this project. Additional experimental work focused on long-term corrosion testing of the outermost layers of the salt-cooled and liquid lead-cooled MMLC concepts, which would then be fed into predictions of how long the MMLCs could last. Next, computational (thermodynamics and atomistic) simulation studies studied how much we expect the interfaces to “blend,” due to the mixing action of neutron irradiation. This eats into both the margin for the structural layer of each MMLC, as dilution from the corrosion-resistant layer into the structural layer would decrease the total load-bearing capacity of an MMLC of finite size. On the other hand, dilution of the corrosion-resistant layer into the structural layer further reduced the margin of corrodible material, reducing the lifetime of the MMLC or necessitating extra thickness to be imparted to the MMLC to meet its functional requirements. Work here focused on irradiation-induced segregation to predict new phases which may embrittle the MMLCs, as well as quantifying irradiation-induced mixing at each interface. The results showed that mixing is expected, but it is both steady and therefore predictable, and not lifetime-limiting for most MMLC concepts – it simply has to be accounted for in calculations of reactor performance when utilizing an MMLC. Then, full-core simulations using the experimentally-derived corrosion data, the computationally discovered irradiation-induced mixing data (partially validated by experiment), and existing, benchmarked core designs for large and small sized reactor concepts (one salt-cooled, one lead-cooled) were conducted to quantify any expansion of reactor operating envelopes achieved by utilizing these MMLCs. This new framework, called REX (Reactor Envelope Expansion), incorporates a combination of core neutronics, thermal hydraulics, and the material performance data derived from this project to see how using an MMLC expands advanced fission reactor operating envelopes. It was discovered that in some cases, MMLC utilization does indeed increase the maximum operating temperatures and cycle lengths of reactor concepts, while in other cases it does not. Finally, our tech-to-market (T2M) strategy was not necessarily to create specific embodiments of MMLCs for immediate sale (because getting into the nuclear market is incredibly slow and laden with regulation, this is a long-term goal), but rather immediate stimulation of US industry using the design approach of MMLCs derived from this project. In this respect we were successful, as one of the PhD students funded on this project co-founded Allium Engineering, Inc., which created a stainless steel / low-alloy steel MMLC to function as chloride corrosion-resistant rebar for embedding into concrete structures. Allium Engineering continues to be successful, having recently opened their first factory as of this writing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1985

Three-layer Generic Ganymedes: Structure and Evolution

Accurate, three layered structural models were generated for Ganymede and Callisto. Three layered satellites consist of a rock core, a region of mixed rock and ice, and an outer shell of pure ice. This structure would result from either accretional melting of the outermost region of the satellite or differentiation subsequent to localized melting. A completely undifferentiated ice rock satellite possesses only the single, top boundary layer and, in this case, melting is also relatively difficult to initiate; this suggests that, if accretional melting results in a small degree of differentiation initially, subsequent melting may readily occur as the satellite warms due to radiogenic heating. Alternatively, if accretion is not accompanied by a small degree of differentiation, it may prove too difficult to initiate nonaccretional melting and the satellite might remain undifferentiated indefinitely.

Mueller, S. W.↗
NASA NTRS1989

Evaluation of reflection and transmission coefficients for multi-layered chiral structures

The paper examines a structure consisting of an arbitrary number of layers of different chiral materials, backed by either a perfect conductor or a penetrable half-space. A plane electromagnetic wave of arbitrary polarization is obliquely incident on the structure. The reflection and transmission coefficients of the structure can be determined by a chain-matrix algorithm.

Tamirisa, P.↗
NASA NTRS1978

Post heat treatment effects on double layer metal structures for VLSI applications

The realization of high yield double layer metal systems using wet chemistry processes and the ability to extend yields beyond that attainable with wet chemistry by means of post sintering processes at temperatures below 500 C for potential applications in very large scale integration structures were studied. Yields in excess of 98% and average total contact resistance of less than 150 ohms and 200 ohms were realized for a series of 560 vias of 0.5 X 0.5 mils and 0.2 X 0.2 mils in size, respectively.

Wade, T. E.↗
NASA NTRS1989

Effect of abrupt pressure gradients on the structure of turbulent boundary layers

The structure of a turbulent boundary layer due to abruptly applied strong favorable and adverse pressure gradients, leading to relaminarization and separation, respectively, is considered. Digital image enhancement techniques have been applied to laser light sheet smoke flow visualization pictures. A 'local range modification' technique has been used to extract structural details otherwise lying ill-defined in the fully turbulent core. The cross-stream sections immediately prior to separation, and particularly those shortly after the application of the favorable pressure gradient, are vividly organized; there exists a criss-cross pattern in the spanwise plane with a mean orientation at about +/- 45 deg to the vertical.

Bandyopadhyay, Promode R.↗
NASA NTRS2006

Noninvasive 3D Visualization of Defects and Crack Propagation in Layered Foam Structures by Phase Contrast Microimaging

Applications of polymeric foams in our modern society continue to grow because of their light weight, high strength, excellent thermal and mechanical insulation, and the ease of engineering. Among others, closed-cell foam has been structurally used for thermally insulating the shuttle external tank. However, internal defects of the foams were difficult to observe non-invasively due to limited sensitivity to the low-density structures possessed by traditional imaging tools such as computed X-ray tomography By combining phase contrast X-ray imaging with pressure loading, we succeeded in precisely mapping intact cellular structure and defects inside the bulk of layered foam and visualizing its subsequent response to the pressure in three-dimensional space. The work demonstrated a powerfir1 approach for yielding insight into underlying problems in lightweight cellular materials otherwise unobtainable.

Hu, Z. W.↗
NASA NTRS1996

An Experimental Study of a Separated/Reattached Flow Behind a Backward-Facing Step. Re(sub h) = 37,000

An experimental study was carried out to investigate turbulent structure of a two-dimensional incompressible separating/reattaching boundary layer behind a backward-facing step. Hot-wire measurement technique was used to measure three Reynolds stresses and higher-order mean products of velocity fluctuations. The Reynolds number, Re(sub h), based on the step height, h, and the reference velocity, U(sub 0), was 37,000. The upstream oncoming flow was fully developed turbulent boundary layer with the Re(sub theta) = 3600. All turbulent properties, such as Reynolds stresses, increase dramatically downstream of the step within an internally developing mixing layer. Distributions of dimensionless mean velocity, turbulent quantities and antisymmetric distribution of triple velocity products in the separated free shear layer suggest that the shear layer above the recirculating region strongly resembles free-shear mixing layer structure. In the reattachment region close to the wall, turbulent diffusion term balances the rate of dissipation since advection and production terms appear to be negligibly small. Further downstream, production and dissipation begin to dominate other transport processes near the wall indicating the growth of an internal turbulent boundary layer. In the outer region, however, the flow still has a memory of the upstream disturbance even at the last measuring station of 51 step-heights. The data show that the structure of the inner layer recovers at a much faster rate than the outer layer structure. The inner layer structure resembles the near-wall structure of a plane zero pressure-gradient turbulent boundary layer (plane TBL) by 25h to 30h, while the outer layer structure takes presumably over 100h.

Jovic, Srba↗
NASA NTRS1991

Making Three-Layer Solid Electrolyte/Electrode Sandwiches

Tape-casting-and-sintering process joins two ceramic materials having widely different sintering temperatures into integral sandwich structure. Layers retain their identities, without migration of constituents. Used to make three-layer structure composed of outer porous layers of strontium-doped lanthanum manganite and inner dense layer of yttria-stabilized zirconia. Structures used to make electrolytic and fuels cells with solid electrolytes for use at high temperatures. Other potential applications include oxygen pumps and oxygen sensors.

Schroeder, James E.↗
DOE OSTI2019

Layer-Dependent Electronic Structure of Atomically Resolved Two-Dimensional Gallium Selenide Telluride

Alloying two-dimensional (2D) semiconductors provides a powerful method to tune their physical properties, especially those relevant to optoelectronic applications. However, as the crystal structure becomes more complex, it becomes increasingly difficult to accurately correlate response characteristics to detailed atomic structure. We investigate, via annular dark-field scanning transmission electron microscopy, electron energy loss spectroscopy, and second harmonic generation, the layered III-VI alloy GaSe 0.5 Te 0.5 as a function of layer number. The local atomic structure and stacking sequence for different layers is explicitly determined. We complement the measurements with first-principles calculations of the total energy and electronic band structure of GaSe 0.5 Te 0.5 for different crystal structures and layer number. The electronic band gap as well as the π and π + σ plasmons are found to be sensitive to layer number.

2D semiconductor alloys↗