Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “surface transformation”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Long‐Range Confinement‐Driven Enrichment of Surface Oxygen‐Relevant Species Promotes C−C Electrocoupling in CO 2 Reduction

Abstract CO 2 reduction is a highly attractive route to transform CO 2 into useful feedstocks, of which C 2 products are more desired than C 1 , yet face high kinetic barriers of C−C electrocoupling. Here, the engineering of pore‐enabled local confinement reaction environments is reported for tuning the enrichment of surface‐adsorbed oxygen‐relevant species and the establishment of their pronounced benefits in promoting C−C coupling over oxide‐derived Cu‐based catalysts. A new approach of utilizing the microphase separation of a block copolymer is developed to fabricate bicontinuous mesoporous CuO nanofibers (CuO‐BPNF). The enhanced confinement from long‐range mesochannels enables the adsorption of OH ad /O ad on the Cu surface at a wide negative potential range of −0.7 – −1.3 V in CO 2 reduction, which cannot be achieved over conventional deficient and short‐range pores. Constant‐potential DFT calculations reveal that the surface‐bound oxygen species weakens *CO affinity with the Cu (111) surface and lowers the kinetic barriers for both *CO−CO dimerization and *CO hydrogenation to enable *CO−CHO coupling. Accordingly, a CO 2 ‐to‐C 2 Faradaic efficiency of 74.7% over CuO‐BPNF is shown, significantly larger than counterparts with conventional pores. This work offers a general design principle of confinement engineering to manage the adsorption of reactive species for steering reaction pathways in interfacial catalysis.

Chemistry↗
DOE OSTI2025

Dynamic Surface Restructuring in Cu(Au) Alloys Driven by Oxygen-Mediated Au Mobility

Alloying plays a crucial role in tuning the surface properties of metals, but the atomic-level mechanisms by which alloying elements influence surface structure dynamics under reactive conditions remain elusive. Using Cu(Au) in oxidizing environments as a model system, we reveal a dynamic oxygen-induced transformation of the topmost atomic layer into a periodically hill-and-valley morphology with reversible switching between undulated and flattened surface states. These interconversions are driven by the retreat of surface Au to the subsurface during oxygen adsorption and its resegregation to the surface upon oxygen desorption. This cyclical mobility establishes a feedback loop, allowing the surface to dynamically reconfigure in response to changes in the oxygen pressure. The results offer a broadly applicable framework for understanding atomic-scale surface restructuring in alloy systems, where differences in the chemical reactivity of alloying elements drive dynamic redistribution between surface and subsurface regions. As a result, this dynamic coupling has practical implications for designing corrosion-resistant coatings and metastable nanostructures with tunable catalytic properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Computation of three-dimensional compressible boundary layers to fourth-order accuracy on wings and fuselages

A solution method, fourth-order accurate in the body-normal direction and second-order accurate in the stream surface directions, to solve the compressible 3-D boundary layer equations is presented. The transformation used, the discretization details, and the solution procedure are described. Ten validation cases of varying complexity are presented and results of calculation given. The results range from subsonic flow to supersonic flow and involve 2-D or 3-D geometries. Applications to laminar flow past wing and fuselage-type bodies are discussed. An interface procedure is used to solve the surface Euler equations with the inviscid flow pressure field as the input to assure accurate boundary conditions at the boundary layer edge. Complete details of the computer program used and information necessary to run each of the test cases are given in the Appendix.

Iyer, Venkit↗
NASA NTRS1999

Project ATLANTA (Atlanta Land use Analysis: Temperature and Air Quality): Use of Remote Sensing and Modeling to Analyze How Urban Land Use Change Affects Meteorology and Air Quality Through Time

This paper presents an overview of Project ATLANTA (ATlanta Land use ANalysis: Temperature and Air-quality) which is an investigation that seeks to observe, measure, model, and analyze how the rapid growth of the Atlanta, Georgia metropolitan area since the early 1970's has impacted the region's climate and air quality. The primary objectives for this research effort are: (1) To investigate and model the relationships between land cover change in the Atlanta metropolitan, and the development of the urban heat island phenomenon through time; (2) To investigate and model the temporal relationships between Atlanta urban growth and land cover change on air quality; and (3) To model the overall effects of urban development on surface energy budget characteristics across the Atlanta urban landscape through time. Our key goal is to derive a better scientific understanding of how land cover changes associated with urbanization in the Atlanta area, principally in transforming forest lands to urban land covers through time, has, and will, effect local and regional climate, surface energy flux, and air quality characteristics. Allied with this goal is the prospect that the results from this research can be applied by urban planners, environmental managers and other decision-makers, for determining how urbanization has impacted the climate and overall environment of the Atlanta area. Multiscaled remote sensing data, particularly high resolution thermal infrared data, are integral to this study for the analysis of thermal energy fluxes across the Atlanta urban landscape.

Quattrochi, Dale A.↗
NASA NTRS1992

Mesh generation/refinement using fractal concepts and iterated function systems

A novel method of mesh generation is proposed which is based on the use of fractal concepts to derive contractive, affine transformations. The transformations are constructed in such a manner that the attractors of the resulting maps are a union of the points, lines and surfaces in the domain. In particular, the mesh nodes may be generated recursively as a sequence of points which are obtained by applying the transformations to a coarse background mesh constructed from the given boundary data. A Delaunay triangulation or similar edge connection approach can then be performed on the resulting set of nodes in order to generate the mesh. Local refinement of an existing mesh can also be performed using the procedure. The method is easily extended to three dimensions, in which case the Delaunay triangulation is replaced by an analogous 3D tesselation.

Bova, S. W.↗
DOE OSTI2024

Interfacial Reactivity-Triggered Oscillatory Lattice Strains of Nanoalloys

Understanding the structure evolution of nanoalloys under reaction conditions is vital to the design of active and durable catalysts. Herein, we report an operando measurement of the dynamic lattice strains of dual-noble-metal alloyed with an earth-abundant metal as a model electrocatalyst in a working proton-exchange membrane fuel cell using synchrotron high-energy X-ray diffraction coupled with pair distribution function analysis. Additionally, the results reveal an interfacial reaction-triggered oscillatory lattice strain in the alloy nanoparticles upon surface dealloying. Analysis of the lattice strains with an apparent oscillatory irregularity in terms of frequency and amplitude using time-frequency domain transformation and theoretical calculation reveals its origin from a metal atom vacancy diffusion pathway to facilitate realloying upon dealloying. This process, coupled with surface metal partial oxidation, constitutes a key factor for the nanoalloy's durability under the electrocatalytic oxygen reduction reaction condition, which serves as a new guiding principle for engineering durable or self-healable electrocatalysts for sustainable fuel cell energy conversion.

Wu, Zhi-Peng [State University of New York (SUNY),↗
NASA NTRS1993

Feedback controlled optics with wavefront compensation

The sensitivity model of a complex optical system obtained by linear ray tracing is used to compute a control gain matrix by imposing the mathematical condition for minimizing the total wavefront error at the optical system's exit pupil. The most recent deformations or error states of the controlled segments or optical surfaces of the system are then assembled as an error vector, and the error vector is transformed by the control gain matrix to produce the exact control variables which will minimize the total wavefront error at the exit pupil of the optical system. These exact control variables are then applied to the actuators controlling the various optical surfaces in the system causing the immediate reduction in total wavefront error observed at the exit pupil of the optical system.

Breckenridge, William G.↗
NASA NTRS1995

Biological processes and optical measurements near the sea surface: Some issues relevant to remote sensing

The advent of remote sensing, the develpmemt of new optical instrumentation, and the associated advances in hydrological optics have transformed oceanography; it is now feasible to describe ocean-scale biogeochemical dynamcis from satellite observations, verified and complemented by measurements from optical sensors on profilers, moorings, and drifters. Only near-surface observations are common to both remote sensing and in situ observation, so it is critical to understand processes in the upper euphotic zone. Unfortunately, the biological principles that must be used to interpret optical variability near the sea surface are weaker than we would like, because relatively few experiments and analyses have examined bio-optical relationships under high irradiance characteristic of the upper optical depth. Special consideration of this stratum is justified, because there is good evidence that bio-optical relationships are altered near the surface; (1) the fluorescence yield from chlorophyll declines, leading to bias in the estimation of pigment from fluorometry; (2) the modeled relationship between solar-stimulated fluorecence and photosynthesis seems to deviate significantly from that presented for the lower euphotic zone; and (3) carbon-specific and cellular attenuation cross sections of phytoplankton change substantially during exposures to bright light. Even the measurement of primary productivity is problematic near the sea surface, because vertical mixing is not simulated and artifactual inhibition of photosynthesis can result. These problems can be addressed by focusing more sampling effort, experimental simulation, and analytical consideration on the upper optical depth, and by shortening timescales for the measurement of marine photosynthesis. Special efforts to study near-surface processes are justified, because new bio-optical algorithms will require quantitaitve descriptions of the responses of phytoplankton to bright light.

Cullen, John J.↗
DOE OSTI2020

Feedbacks Between Surface Deformation and Permafrost Degradation in Ice Wedge Polygons, Arctic Coastal Plain, Alaska

In the past three decades, an abrupt, pan-Arctic acceleration of ice wedge melting has transformed tundra landscapes, spurring the formation of hummock-like features known as high-centered polygons (HCPs). This rapid geomorphic transition profoundly alters regional hydrology and influences surface emissions of CO 2 and CH 4 . In Arctic Alaska, most recent instances of ice wedge degradation have arrested within 15–20 years of inception, stabilizing HCP microtopography. However, feedbacks between ground surface deformation and permafrost stability are incompletely understood, limiting our capacity to predict trajectories of landscape evolution in a still warmer future. In this work, we use field data from a site near Prudhoe Bay, Alaska, to develop a modeling-based framework for assessing the strength of positive (i.e., exacerbating) feedbacks on ice wedge degradation, focusing on the importance of heterogeneity in surface drainage and microtopographic conditions. Our simulations suggest that, when troughs are narrow, positive feedbacks on ice wedge melting (associated with thermokarst pool formation) are relatively weak. Positive feedbacks are markedly stronger beneath wide troughs, such as those that form above older, larger ice wedges. Seasonal thaw abruptly accelerates once a talik begins to form beneath wide and deep thermokarst pools. Once a talik initiates, winter severity and snowpack thickness increase in importance as predictors of thaw intensity in summer. Our results indicate that meter-scale heterogeneity in polygonal microtopography potentially exerts strong, nonlinear controls on thermokarst trajectories. These findings are useful for predicting future thermokarst dynamics and for interpreting the results from coarser-resolution land surface models operating at greater spatial and temporal scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Surf-Deformer: Mitigating Dynamic Defects on Surface Code via Adaptive Deformation

In this paper, we introduce Surf-Deformer, a code deformation framework that seamlessly integrates adaptive defect mitigation functionality into the current surface code workflow. It crafts several basic deformation instructions based on fundamental gauge transformations, which can be combined to explore a larger design space than previous methods. This enables more optimized deformation processes tailored to specific defect situations, restoring the QEC capability of deformed codes more efficiently with minimal qubit resources. Additionally, we design an adaptive code layout that accommodates our defect mitigation strategy while ensuring efficient execution of logical operations. Our evaluation shows that Surf-Deformer outperforms previous methods by significantly reducing the end-to-end failure rate of various quantum programs by 35× to 70×, while requiring only about 50% of the qubit resources compared to the previous method to achieve the same level of failure rate. Ablation studies show that Surf-Deformer surpasses previous defect removal methods in preserving QEC capability and facilitates surface code communication by achieving nearly optimal throughput.

Yin, Keyi↗
DOE OSTI2024

Infrared nanoimaging and nanospectroscopy of electrochemical energy storage materials and interfaces

Electrochemical interfaces are central to the function and performance of energy storage devices. Thus, the development of new methods to characterize these interfaces, in conjunction with electrochemical performance, is essential for bridging the existing knowledge gaps and accelerating the development of energy storage technologies. Of particular need is the ability to characterize surfaces or interfaces in a non-destructive way with adequate resolution to discern individual structural and chemical building blocks. To this end, sub-diffraction-limit low-energy infrared optical probes that exploit near-field interactions within atomic force microscopy platforms, such as pseudoheterodyne nanoimaging, photothermal nanoimaging and nanospectroscopy, and nanoscale Fourier transform infrared spectroscopy, are all powerful emerging techniques. These are capable of non-destructive surface probing and imaging at nanometer resolution. This review outlines recent efforts to characterize ex situ, in situ, and operando electrode materials and electrochemical interfaces in rechargeable batteries with these advanced infrared near-field probes.

25 ENERGY STORAGE↗
DOE OSTI2023

Recent Developments in Revealing the Impact of Complex Metal Oxide Reconstruction on Catalysis

Surface reconstruction of complex metal oxides refers to the alterations of the topmost catalyst surface, relative to the bulk structure, following exposure to pretreatment or reaction conditions during heterogeneous catalysis. (1) This structural and electronic transformation may involve (1) changes of the exposed crystallographic facets, (2) changes in chemical composition, such as the enrichment of specific elements, and, (3) morphological variations, including surface roughness and defects (Scheme 1). Beyond relaxation, surface reconstruction here also encompasses disruptions to the periodicity of the sublayers and changes to its stoichiometry. This change significantly influences the chemical properties of the catalyst surface, such as redox sites, (2) acid/base pairs, hydroxyl groups, (3) and surface defects. Surface reconstruction occurs due to the thermodynamic drive to lower the surface energy of the catalyst under the surrounding environment (e.g., temperature, chemical potential of species present). In addition to the treatment or reaction conditions, the extent of reconstruction also depends on the elements in the metal oxide structure. For instance, annealing ABO 3 perovskites (SrTiO 3 , BaTiO 3 , and BaZrO 3 ) at high temperatures (500 °C) in O 2 has a very different impact on the A/B ratio at the surface (ranging from 0.9 to 2.5), depending on the identity of A and B. (4) Metal oxide surface reconstruction under an electric field and exposure to acidic and alkaline media has recently gained increased attention in electrocatalysis, such as in the oxygen evolution reaction (OER); (5,6) however, in this Viewpoint we focus on the impact of surface reconstruction on thermal catalysis, a critical enduring research theme with ongoing challenges. Here, we start showcasing approaches to characterize surface reconstruction at the topmost surface layer, such as low-energy ion scattering (LEIS), discussing advantages and limitations. Next, we connect characterization of surface reconstruction to site-specific kinetic analysis, enabled via steady-state isotopic transient kinetic analysis (SSITKA), and we express our viewpoint on building structure–performance relationships by deeply understanding reconstructed surfaces. Later, we comment on the potential of tuning surface reconstruction to enhance catalytic performance. Finally, we explore the interplay between surface reconstruction and the “intelligent behavior”.

alcohol conversion↗
NASA NTRS1981

Surface acoustic waves/silicon monolithic sensor processor

Progress is reported in the creation of a two dimensional Fourier transformer for optical images based on the zinc oxide on silicon technology. The sputtering of zinc oxide films using a micro etch system and the possibility of a spray-on technique based on zinc chloride dissolved in alcohol solution are discussed. Refinements to techniques for making platinum silicide Schottky barrier junctions essential for constructing the ultimate convolver structure are described.

Kowel, S. T.↗
DOE OSTI2020

UO 2 + 5 vol% ZrB 2 nano composite nuclear fuels with full boron retention and enhanced oxidation resistance

The boron isotope ( 10 B) can be used as a neutron absorber in UO 2 to control the reactivity of nuclear fuel pellets, however, the boron source can react with oxygen source in UO 2 to form B 2 O 3 that vaporize readily at temperatures above 1200 °C. Unfortunately, the sintering of UO 2 fuel requires hours holding at high temperature (>1700 °C), resulting in an inevitable B loss during sintering and unpredictable B concentration in final product. It is challenging to incorporate boron through a conventional sintering method. In this work, we demonstrated that spark plasma sintering (SPS), a field assisted sintering technology, can effectively densify UO 2 + 5 vol% ZrB 2 composite fuel pellets by rapid consolidation at 1600 °C for a short duration of 5 min under an applied pressure of 40 MPa. Further, thermogravimetric analysis (TGA) measurements confirm that ZrB 2 is fully retained inside the composite fuel pellets. Inside the composite fuel pellets, nano sized ZrB 2 particles are uniformly distributed along the grain boundaries of the UO 2 matrix. The ZrB 2 particle transforms to a glassy B 2 O 3 phase covering the sample surface and grain boundaries of UO 2 matrix after a simple post-sintering annealing at 1000 °C in flowing Argon gas for 4 h. The formed glassy B 2 O 3 slows down the diffusion of oxygen ions and postpones the onset temperature for oxidation of UO 2 from 400 °C to 550 °C. This study demonstrates the capability of SPS, an advanced fuel manufacturing technique, to achieve a full retention of ZrB 2 in UO 2 oxide fuel and increase oxidation resistance through a simple post-sintering annealing. The reported work holds great engineering potential for development of advanced oxide fuel for nuclear application.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

The surface triple-coupling on single crystalline cathode for lithium ion batteries

Single crystalline (SC) cathode materials, which are less susceptible to micro/nano-cracks formation and offer better structure stability compared to the polycrystalline counterpart, have attained great attention. However, the parasitic side reactions at the cathode-electrolyte interface induces the loss of active species, which consequently leads to continual degradation of the electrochemical performances. Herein, a triple coupling of concentration-gradient Na+, F- co-doping and surface NaF coating are exploited for the first time on SC LiNi 0.5C o 0.2 Mn 0.3 O 2 cathode by the hydrolysis of NaPF 6 . This process regulates the external structure of materials by constructing a “sandwich” configuration from surface to bulk: rock salt - mixing zone - layered phase. The detailed interface transformation mechanism is revealed by Neutron powder diffraction (NPD), spherical aberration corrected high-resolution scanning transmission electron microscopy (HR-STEM), electron energy loss spectroscopy (EELS), and Ar+ sputtering assisted X-ray photoelectron spectroscopy (XPS). The synergistic effects endow the SC cathode with outstanding capacity retentions: 91.3% at 25 °C and 85% at 45 °C, after 500 cycles at 5 C between 3.0 and 4.5 V. In addition, a high full-cell reversible capacity of 168.9 mAh g -1 with a capacity retention of 92.4% is achieved after 300 cycles at 1 C. Multiple characterizations further indicate that these superior results are mainly ascribed to the overall structure integrity of SC material, the thin cathode electrolyte interface, high content of lithium fluoride, and the low solubility of transition metal ions. This work opens a new avenue to construct a benign interface towards high-performance lithium ion batteries.

lithium ion batteries↗
DOE OSTI2022

Atomic-Scale View of Redox Induced Changes for Monolayer MoO x on α-TiO 2 (110) with Chemical-State Sensitivity

Supported molybdenum oxide (MoO x ) plays an important role in catalytic transformations from alcohol dehydrogenation to transesterification. During these reactions, Mo and oxygen surface species undergo structural and chemical changes. A detailed, chemical-state specific, atomic-scale structural analysis of the catalyst under redox conditions is important for improving catalytic properties. In this study, monolayer of MoO x grown on α-TiO 2 (110) by atomic-layer deposition is analyzed by X-ray standing wave (XSW) excited X-ray photoelectron spectroscopy (XPS). The chemical shifts for Mo 2p 3/2 and O 1s peaks are used to distinguish Mo 6+ from Mo 4+ and surface O from bulk O. Excitation of XPS by XSW allows pin-pointing the location of these surface species relative to the underlying substrate lattice. Finally, measured 3D composite atomic density maps for the oxidized and reduced interfaces compare well with our density functional theory models, and collectively create a unique view of the redoxdriven dynamics for this complex catalytic structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Localized Orbital Excitation Drives Bond Formation in Plasmonic Catalysis

Localized surface plasmons generated on metallic nanostructures can be used to accelerate molecular transformations; however, the efficiency is limited by the challenge to control the energy/charge transfer at the interfaces. Here, we combine density functional theory (DFT) calculations and experiments to reveal the mechanism of nitrophenol reduction on Au nanoparticles under visible-light irradiation and propose a strategy to further enhance the reaction rates. DFT calculations show a reduced activation barrier under electronic excitation on Au(111), thus explaining the measured higher rates under visible-light irradiation. Furthermore, we propose a heterostructure with Au nanoparticles covered by a thin film of hexagonal boron nitride; the latter is used to decouple the molecular orbitals from the metal to enable charge localization in the molecule. DFT calculations show that, by this electronic decoupling, the activation barrier can be lowered by a factor of five. Furthermore, this work thus provides a valuable strategy for optimizing catalytic efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗