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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Combined LAURA-UPS hypersonic solution procedure

A combined solution procedure for hypersonic flowfields around blunted slender bodies was implemented using a thin-layer Navier-Stokes code (LAURA) in the nose region and a parabolized Navier-Stokes code (UPS) on the after body region. Perfect gas, equilibrium air, and non-equilibrium air solutions to sharp cones and a sharp wedge were obtained using UPS alone as a preliminary step. Surface heating rates are presented for two slender bodies with blunted noses, having used LAURA to provide a starting solution to UPS downstream of the sonic line. These are an 8 deg sphere-cone in Mach 5, perfect gas, laminar flow at 0 and 4 deg angles of attack and the Reentry F body at Mach 20, 80,000 ft equilibrium gas conditions for 0 and 0.14 deg angles of attack. The results indicate that this procedure is a timely and accurate method for obtaining aerothermodynamic predictions on slender hypersonic vehicles.

Wood, William A.↗
NASA NTRS1996

Effect of Tilt Angle on the Morphology of SiC Epitaxial Films Grown on Vicinal (0001) SiC Substrates

In this study of 4H-SiC and 6H-SiC epitaxial films we found that film morphology was strongly dependent on the tilt angle of the substrate. Large surface steps (up to 25 nm high) due to step bunching were more prevalent at smaller tilt angles. Also, 4H films were more susceptible than 6H to 3C-SiC inclusions during growth. The lateral growth of steps from screw dislocations in low-tilt-angle substrates demonstrated that step bunching on the atomic scale was anisotropic with respect to growth direction for both 4H-SiC and 6H-SiC. A model explaining this behavior is presented. We observed and directly measured the Burgers vector of a 'super' screw dislocation in a 6H-SiC epilayer.

Powell, J. A.↗
NASA NTRS2004

Numerical Simulation of Nanostructure Growth

Nanoscale structures, such as nanowires and carbon nanotubes (CNTs), are often grown in gaseous or plasma environments. Successful growth of these structures is defined by achieving a specified crystallinity or chirality, size or diameter, alignment, etc., which in turn depend on gas mixture ratios. pressure, flow rate, substrate temperature, and other operating conditions. To date, there has not been a rigorous growth model that addresses the specific concerns of crystalline nanowire growth, while demonstrating the correct trends of the processing conditions on growth rates. Most crystal growth models are based on the Burton, Cabrera, and Frank (BCF) method, where adatoms are incorporated into a growing crystal at surface steps or spirals. When the supersaturation of the vapor is high, islands nucleate to form steps, and these steps subsequently spread (grow). The overall bulk growth rate is determined by solving for the evolving motion of the steps. Our approach is to use a phase field model to simulate the growth of finite sized nanowire crystals, linking the free energy equation with the diffusion equation of the adatoms. The phase field method solves for an order parameter that defines the evolving steps in a concentration field. This eliminates the need for explicit front tracking/location, or complicated shadowing routines, both of which can be computationally expensive, particularly in higher dimensions. We will present results demonstrating the effect of process conditions, such as substrate temperature, vapor supersaturation, etc. on the evolving morphologies and overall growth rates of the nanostructures.

Hwang, Helen H.↗
NASA NTRS1991

Heat transfer in the turbulent boundary layer with a step change in surface roughness

Measurements of Stanton numbers, velocity profiles, temperature profiles, and turbulence intensity profiles are reported for turbulent flat plate boundary layer flows with a step change in surface roughness. The first 0.9 m length of the test surface is roughened with 1.27 mm diameter hemispheres spaced 2 base diameters apart in a staggered array. The remaining 1.5 m length is smooth. The experiments show that the step change from a rough to a smooth surface has a dramatic effect on the convective heat transfer. In many cases, the Stanton number drops below the smooth-wall correlation immediately downstream of the change in roughness. The Stanton number measurements are compared with predictions using the discrete element method with excellent results.

Taylor, Robert P.↗
NASA NTRS1993

Effects of an aft facing step on the surface of a laminar flow glider wing

A motor glider was used to perform a flight test study on the effects of aft facing steps in a laminar boundary layer. This study focuses on two dimensional aft facing steps oriented spanwise to the flow. The size and location of the aft facing steps were varied in order to determine the critical size that will force premature transition. Transition over a step was found to be primarily a function of Reynolds number based on step height. Both of the step height Reynolds numbers for premature and full transition were determined. A hot film anemometry system was used to detect transition.

Sandlin, Doral R.↗
DOE OSTI2025

Effects of Temperature Fluctuations on Surface Mobility of Atomic Steps and Oxidation Dynamics in High-Temperature Alloys

In contrast to the traditional perspective that thermal fluctuations are insignificant in surface dynamics, here we report their influence on surface reaction dynamics. Using real-time low-energy electron microscopy imaging of NiAl(100) under both vacuum and O 2 atmospheres, we demonstrate that transient temperature variations substantially alter the direction of atom diffusion between the surface and bulk, leading to markedly different oxidation outcomes. During heating, substantial outward diffusion of atoms from the bulk to the surface results in step growth. Conversely, cooling induces considerable inward diffusion of adatoms, producing a distinct oxide morphology. In both scenarios, initially formed oxide islands impede local atomic step mobility, thereby increasing step length due to mass transfer between the surface and bulk, with atomic steps acting as adatom sinks during heating and sources during cooling. Furthermore, we show that this pinning effect on atomic step mobility can be mitigated by applying persistent temperature fluctuations. As a result, understanding these nuances is vital for accurately predicting and dynamically manipulating the performance of active materials in various chemical processes under transient thermal conditions.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Surface Characterization of 3C-SiC Mesa Heterofilms: Evidence for Growth by Edge/Corner Nucleation Mechanism

This paper presents the first detailed observations of unique surface morphologies of 3C-Sic films grown on 4W6H-SIC mesas by the step-free surface heteroepitaxy technique. The top surfaces of 3C-Sic films were extensively studied by optical microscopy and atomic force microscopy (AFM) as both film thickness (i.e,, growth time) and growth temperature (i.e., terrace nucleation rate) were varied following complete coverage of each 4W6H mesa by an initial 3C-Sic film. Almost all surface steps observed by AFM were 0.25 nm, the height of a single Si-C bilayer. However, strikingly different step patterns were observed, suggesting that radically different processes dominate the nucleation of new 3C-Sic bilayers on top of existing 3C-Sic film surfaces.

Trunek, Andrew J.↗
NASA NTRS2002

Methods for growth of relatively large step-free SiC crystal surfaces

A method for growing arrays of large-area device-size films of step-free (i.e., atomically flat) SiC surfaces for semiconductor electronic device applications is disclosed. This method utilizes a lateral growth process that better overcomes the effect of extended defects in the seed crystal substrate that limited the obtainable step-free area achievable by prior art processes. The step-free SiC surface is particularly suited for the heteroepitaxial growth of 3C (cubic) SiC, AlN, and GaN films used for the fabrication of both surface-sensitive devices (i.e., surface channel field effect transistors such as HEMT's and MOSFET's) as well as high-electric field devices (pn diodes and other solid-state power switching devices) that are sensitive to extended crystal defects.

Neudeck, Philip G.↗
DOE OSTI2024

Mineral Deposition on the Rough Walls of a Fracture

Modeling carbonate growth in fractures and pores is important for understanding carbon sequestration in the environment or when supersaturated solutions are injected into rocks. Here, we study the simple but nontrivial problem of calcite growth on fractures with rough walls of the same mineral using kinetic Monte Carlo simulations of attachment and detachment of molecules and scaling approaches. First, we consider wedge-shaped fracture walls whose upper terraces are in the same low-energy planes and show that the valleys are slowly filled by the propagation of parallel monolayer steps in the wedge sides. The growth ceases when the walls reach these low-energy configurations so that a gap between the walls may not be filled. Second, we consider fracture walls with equally separated monolayer steps (vicinal surfaces with roughness below 1 nm) and show that growth by step propagation will eventually clog the fracture gap. In both cases, scaling approaches predict the times to attain the final configurations as a function of the initial geometry and the step-propagation velocity, which is set by the saturation index. The same reasoning applied to a random wall geometry shows that step propagation leads to lateral filling of surface valleys until the wall reaches the low-energy crystalline plane that has the smallest initial density of molecules. Thus, the final configurations of the fracture walls are much more sensitive to the crystallography than to the roughness or the local curvature. The framework developed here may be used to determine those configurations, the times to reach them, and the mass of deposited mineral. Effects of transport limitations are discussed when the fracture gap is significantly narrowed.

calcite↗
NASA NTRS2018

A Compact Two-Step Laser Time-Of-Flight Mass Spectrometer for In Situ Analysis of Planetary Surfaces

Two-step laser mass spectrometry (L2MS) has proved to be a powerful tool for the analysis of aromatic organics in icy planetary simulants, meteorites, asphaltenes on Earth, and returned cometary particles from the Stardust mission. L2MS employs two lasers to separate the desorption and ionization processes of laser desorption ionization into distinct steps. In the first step, an infrared laser desorbs neutrals from a solid sample surface; in the second step, an ultraviolet laser forms molecular ions within the neutral plume through a resonance-enhanced process to minimize fragment at ion of complex species. We have recently demonstrated that the L2MS technique is compatible with a compact TOF-MS that could form the center piece of a future in situ landed planetary mission emphasizing surface chemistry or astrobiology. The increased sensitivity and selectivity offered by this technique has been demonstrated in analyses of various planetary analog mixtures and meteorite powders, and representative results of these analyses will be presented.

Getty, Stephanie A.↗
DOE OSTI2025

Structure Sensitivity and Catalyst Restructuring for CO2 Electro-reduction on Copper

Abstract Cu is the most promising metal catalyst for CO 2 electroreduction (CO 2 RR) to multi-carbon products, yet the structure sensitivity of the reaction and the stability versus restructuring of the catalyst surface under reaction conditions remain controversial. Here, atomic scale simulations of surface energies and reaction pathway kinetics supported by experimental evidence unveil that CO 2 RR does not take place on perfect planar Cu(111) and Cu(100) surfaces but rather on steps or kinks. These planar surfaces tend to restructure in reaction conditions to the active stepped surfaces, with the strong binding of CO on defective sites acting as a thermodynamic driving force. Notably, we identify that the square motifs adjacent to defects, not the defects themselves, as the active sites for CO 2 RR via synergistic effect. We evaluate these mechanisms against experiments of CO 2 RR on ultra-high vacuum-prepared ultraclean Cu surfaces, uncovering the crucial role of step-edge orientation in steering selectivity. Overall, our study refines the structural sensitivity of CO 2 RR on Cu at the atomic level, highlights the self-activation mechanism and elucidates the origin of in situ restructuring of Cu surfaces during the reaction.

Science & Technology - Other Topics↗
DOE OSTI2026

Plasma-assisted atomic layer etching of single-crystal diamond

Applications of near-surface nitrogen-vacancy (NV) centers in diamond are often limited by surface defects created during processing. Understanding and controlling plasma-induced surface damage is important for preserving the optical and spin properties of diamond NV centers. We report molecular dynamics simulations of a novel form of plasma-aided atomic layer etching of diamond. In this proposed scheme, the initial surface modification step consists of Ar + ion bombardment. This creates an amorphous layer at the surface, the thickness of which is controlled by the ion energy. Amorphization is known to help smooth the surface, at least locally, and would also serve to sputter clean an initially contaminated surface. A second step impacts the amorphous carbon layer with O + between about 1 and 5 eV. Simulations show that this energy range will remove the amorphous carbon but will not etch the underlying diamond. Though this energy range is not trivial to achieve in a conventional low-temperature plasma, potential methods for creating these low-energy O + ions are discussed. In addition to a-C etching, the O + impacts are predicted to remove any isolated (100) diamond terraces by selectively attacking the edges of the terraces. The proposed atomic layer etching (ALE) approach reverses the conventional ALE sequence in which the surface modification step is usually chemical modification (oxidation in this case), followed by a removal step using Ar + impacts. This plasma ALE procedure is predicted to create a diamond surface that is atomically flat and defect free.

Draney, J. S. [Princeton University, NJ (United St↗
DOE OSTI2024

Cooperative mechanisms behind nanoscale smoothing on metal surfaces: From adatom diffusion to step nucleation

Many technologies require stable or metastable surface morphology. Here, in this paper we study the factors that control the metastability of a common feature of rough surfaces: “hillocks.” We use low energy electron microscopy to follow the evolution of the individual atomic steps in hillocks on Pd(111). We show that the uppermost island in the stack often adopts a static, metastable configuration. Modeling this result shows that the degree of the metastability depends on the configuration of steps dozens of atomic layers lower. Our model allows us to link surface metastability to the atomic processes of surface evolution.

Fernandes Cauduro, Andre Luis↗
NASA NTRS2005

Silicon Carbide Growth

Andrew Trunek has focused on supporting the Sic team through the growth of Sic crystals, making observations and conducting research that meets the collective needs and requirements of the team while fulfilling program commitments. Cancellation of the Ultra Efficient Engine Technology (UEET) program has had a significant negative impact on resources and research goals. This report highlights advancements and achievements made with this cooperative agreement over the past year. NASA Glenn Research Center (GRC) continues to make advances in silicon carbide (SiC) research during the past year. Step free surfaces were used as substrates for the deposition of GaN epilayers that yielded very low dislocation densities. Defect free 3C- SiC was successfully nucleated on step free mesas and test diodes were fabricated. Web growth techniques were used to increase the usable surface area of dislocation free SiC by approximately equal to 40%. The greatest advancement has been attained on stepped surfaces of SiC. A metrology standard was developed using high temperature etching techniques titled "Nanometer Step Height Standard". This development culminated in being recognized for a 2004 R&D100 award and the process to produce the steps received a NASA Space Act award.

Source record↗
NASA NTRS1973

Flight-measured base pressure coefficients for thick boundary-layer flow over an aft-facing step for Mach numbers from 0.4 to 2.5

A 0.56-inch thick aft-facing step was located 52.1 feet from the leading edge of the left wing of an XB-70 airplane. A boundary-layer rake at a mirror location on the right wing was used to obtain local flow properties. Reynolds numbers were near 10 to the 8th power, resulting in a relatively thick boundary-layer. The momentum thickness ranged from slightly thinner to slightly thicker than the step height. Surface static pressures forward of the step were obtained for Mach numbers near 0.9, 1.5, 2.0, and 2.4. The data were compared with thin boundary-layer results from flight and wind-tunnel experiments and semiempirical relationships. Significant differences were found between the thick and the thin boundary-layer data.

Goecke, S. A.↗