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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Design of 3-dimensional complex airplane configurations with specified pressure distribution via optimization

A subcritical panel method applied to flow analysis and aerodynamic design of complex aircraft configurations is presented. The analysis method is based on linearized, compressible, subsonic flow equations and indirect Dirichlet boundary conditions. Quadratic dipol and linear source distribution on flat panels are applied. In the case of aerodynamic design, the geometry which minimizes differences between design and actual pressure distribution is found iteratively, using numerical optimization technique. Geometry modifications are modeled by surface transpiration concept. Constraints in respect to resulting geometry can be specified. A number of complex 3-dimensional design examples are presented. The software is adopted to personal computers, and as result an unexpected low cost of computations is obtained.

Kubrynski, Krzysztof↗
DOE OSTI2024

Imaging Enhanced Simulation Validation for Directed Energy Deposition Additive Manufacturing (Final CRADA Report – NFE-22-09107)

Directed Energy Deposition (DED) is a welding-based metal Additive Manufacturing (AM) process that relies on the programmed rastering of an electric arc or laser induced weld pool to construct a component in a layerwise fashion. The induced complex thermal field and uneven thermal contraction depends on the printed geometry and scan pattern, and as such, accumulated residual stresses and distortions are complex and difficult to predict. Several prior works have resulted in tools to combat this issue; ANSYS has developed a thermoplastic simulation package targeting DED AM, and ORNL has developed an in-situ imaging sensor package ‘Stereo Correlated Optical and Pyrometric System’ (SCOPS) that can spatially monitor temperature and full field strain. In this CRADA, these tools are compared in order to validate the results and complimentarily address the weaknesses in each other.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Effect of Thermodynamic and Environmental Factors on Crystallization of DNA‐Origami Superlattices

The directed self‐assembly of nanoscale materials into ordered superlattices presents a powerful strategy for creating next‐generation materials with programmable mechanical, optical, and photonic properties. Deoxyribonucleic acid (DNA) origami has emerged as a versatile scaffold for encoding nanoscale geometry and guiding the crystallization of complex 3D architectures. However, a systematic understanding of the parameters that govern the efficiency and quality of superlattice formation remains limited. In this study, we utilize octahedral DNA nanoscale frames as a model system to investigate the relative influence of key factors, including buffer composition, ionic strength, frame concentration, and thermal annealing protocols, on the size, order, and reproducibility of the resulting superlattices. Our findings provide a quantitative framework to rationally optimize DNA‐based assembly pathways. Structural characterization via small‐angle x‐ray scattering (SAXS), scanning electron microscopy (SEM), and optical microscopy validates the quality and fidelity of the assembled lattices. Moreover, by templating these DNA frameworks into inorganic replicas, we establish general design principles that extend beyond biomolecular systems, providing a foundation for the synthesis of programmable materials in broader nanofabrication contexts.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Effects of Structural Constraints on Excited-State Properties in Dimeric Cu(I) Diimine Complexes

Copper(I) bis-diimine complexes have played important roles in light-activated processes that can lead to their potential applications in photocatalysis and chemical sensing. Their metal-to-ligand charge-transfer (MLCT) excited-state properties are tunable by various structural factors. Dimeric Cu(I) complexes with connecting diimine derivative ligands offer another structural tuning platform for the excited-state properties. Here, we investigate excited-state properties in two covalently connected dimeric Cu(I)'s with varying structural constraints exerted by the number of carbons in the polyethylene bridge (C0 and C4) connecting the two copper(I) diimine moieties. An interesting feature of Cu(I) diimine complexes is their ability to flatten following a photoinduced structural change. Herein, we observe larger structural constraints and more structural rearrangement required upon excitation of the longer bridged complex C4 to achieve a conformation toward a more flattened tetrahedral coordination geometry compared to the shorter bridged C0. Vibrational wavepacket analysis of these complexes further supports the effect of these structural constraints where we observe a more rapid dephasing of the C0 complex, as opposed to the C4 complex, despite similar normal mode vibrations. The experimental results were supplemented by TDDFT calculations. In conclusion, the studies provide insight into using metal-metal interactions through constraints to tune excited-state dynamics and pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

U 4+/5+/6+ in a Conserved Pseudotetrahedral Imidophosphorane Coordination Sphere

While several ligand systems support uranium across a range of oxidation states, spanning more than two oxidation states in a conserved coordination geometry is uncommon among structurally authenticated complexes. Imidophosphorane ligands significantly stabilize high-valent lanthanide and actinide complexes. Here, we report a series of homoleptic uranium imidophosphorane complexes, spanning the +4, +5 and +6 oxidation states in a four-coordinate pseudotetrahedral ligand field. The +6 oxidation state is accessible using a mild ferrocenium oxidant, yielding a rare example of U6+ in a pseudotetrahedral coordination environment. As the formal oxidation state increases, the U–N distances gradually contract, consistent with the Shannon ionic radii of U 4+/5+/6+ . Compared to reported complexes, the short U–N distances observed in the U 6+ complex are more comparable to dianionic imido ligands than monoanionic amido ligands.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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 OSTI2026

An analytic approximation to the covariance between pre- and post-reconstruction galaxy two-point statistics

We present a simple analytic approximation for the covariance between pre-reconstruction galaxy power spectrum measurements and post-reconstruction two-point correlation functions. This cross-covariance is essential for joint analyses that combine full-shape clustering information with baryon acoustic oscillation (BAO) measurements, as commonly performed in modern spectroscopic surveys. Our model builds on the disconnected contribution to the covariance and accounts for the damping of correlations due to the BAO reconstruction process. We validate our analytic prescription against numerical simulations from the Dark Energy Spectroscopic Instrument (DESI), testing both idealized cubic geometries and realistic survey configurations including complex footprints and fiber assignment effects. Despite neglecting survey window functions in the analytic calculation, we find excellent agreement with simulation-based covariances and demonstrate that cosmological parameter constraints are virtually unchanged when using our approximation. Our results show that the pre-post cross-covariance is sufficiently small that even approximate treatments are adequate for cosmological inference, opening a pathway toward fully analytic covariance matrices for next-generation galaxy surveys.

baryon acoustic oscillations↗
DOE OSTI2020

Mechanism-Based Energy Regularization in Computational Modeling of Quasibrittle Fracture

Abstract Quasibrittle materials are featured by a strain-softening constitutive behavior under many loading scenarios, which could eventually lead to localization instability. It has long been known that strain localization would result in spurious mesh sensitivity in finite element (FE) simulations. Previous studies have shown that, for the case of fully localized damage, the mesh sensitivity can be mitigated through energy regularization of the material constitutive law. However, depending on the loading configuration and structural geometry, quasibrittle structures could exhibit a complex damage process, which involves both localized and diffused damage patterns at different stages of loading. This study presents a generalized energy regularization method that considers the spatial and temporal evolution of damage pattern. The method introduces a localization parameter, which describes the local damage pattern. The localization parameter governs the energy regularization of the constitutive model, which captures the transition from diffused to localized damage during the failure process. The method is cast into an isotropic damage model, and is further extended to rate-dependent behavior. The energy regularization scheme is directly incorporated into the kinetics of damage growth. The model is applied to simulate static and dynamic failures of ceramic specimens. It is shown that the present model is able to effectively mitigate the spurious mesh sensitivity in FE simulations of both types of failure. The present analysis demonstrates the essential role of mechanism-based energy regularization of constitutive relation in FE simulations of quasibrittle fracture.

Mechanics↗
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 OSTI2024

Atmosphere Effects in Laser Powder Bed Fusion: A Review

The use of components fabricated by laser powder bed fusion (LPBF) requires the development of processing parameters that can produce high-quality material. Manipulating the most commonly identified critical build parameters (e.g., laser power, laser scan speed, and layer thickness) on LPBF equipment can generate acceptable parts for established materials and moderately intricate part geometries. The need to fabricate increasingly complex parts from unique materials drives the limited research into LPBF process control using underutilized parameters, such as atmosphere composition and pressure. As presented in this review, manipulating atmosphere composition and pressure in laser beam welding has been shown to expand processing windows and produce higher-quality welds. The similarities between laser beam welding and laser-based AM processes suggest that this atmosphere control research could be effectively adapted for LPBF, an area that has not been widely explored. Tailoring this research for LPBF has significant potential to reveal novel processing regimes. This review presents the current state of the art in atmosphere research for laser beam welding and LPBF, with a focus on studies exploring cover gas composition and pressure, and concludes with an outlook on future LPBF atmosphere control systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1978

The elastic distortion of the flanged inner ring of a high-speed cylindrical roller bearing

The elastic distortion of the inner ring of an experimental 3,000,000 DN roller bearing is investigated analytically. The geometry of this bearing is unusually complex and for this reason a bearing with an axially symmetric inner ring and shaft is also analyzed. Only the inner ring and shaft are considered using a two-dimensional finite element computer program which enables interference between these components to be accommodated. The results for the experimental bearing suggest that elastic distortions are modest in relation to the design clearances. However, the variation of the radial deflection of the raceway may be significant for some circumstances and the interference fit adopted between the ring and shaft appears to be questionably low.

Taylor, C. M.↗
NASA NTRS1983

Visualization studies of turbulent transition flows in a porous medium

Results are reported for flow-visualization studies of the flow regimes of water passing through a porous medium consisting of cylindrical glass and plexiglas rods arranged in a complex and fixed three-dimensional geometry. The Reynolds number (Re) varied from 50 to 700; the flow was visualized by injecting a 5% potassium permanganate dye solution into the pores and photographing the resulting dye streaklines with both a still camera and a movie camera. The results indicate that four distinct flow regimes exist in the porous medium: (1) Darcy or creeping flow up to Re = 3; (2) steady inertia-dominated laminar flow for Re = 3-150; (3) unsteady transitional laminar flow for Re = 150-250; and (4) fully turbulent flow for Re greater than 250. It is concluded that a laminar wake instability mechanism typical of the external flow about bluff bodies may be responsible for the overall transition from laminar to turbulent flow in porous media.

Bilardo, V. J.↗
NASA NTRS1984

Advances in large area polycrystalline solar cells

Polycrystaline silicon is presently routinely processed into low cost 10 cm by 10 cm solar cells. However assuming minimal handling difficulties, only minor equipment modifications and no increase in processing complexity, the fabrication of even larger geometries would be economically advantageous. This investigation addressed the feasibility of developing 10 cm by 15 cm solar cells from research through pilot line production stages. The major thrust was to minimize costing by using existing production equipment and proven techniques wherever possible. Accordingly methods were developed to section larger substrates from existing cast ingots, a simple solar cell was designed and low cost processes implemented. After numerous preliminary experiments, pilot line production of 1500 cells was completed. Of these approximately 62 percent exhibited efficiencies greater than 7.0 percent, 53 percent were greater than 8.0 percent and 15 percent were greater than 9.0 percent. Based on this study, the regular production of 10 cm by 15 cm solar cells was determined to be both feasible and cost effective using existing processing methods.

Vendura, G. J., Jr.↗
NASA NTRS1993

Magnetohydrodynamic wave propagation in one-dimensional nonhomogeneous, self-gravitating clouds

We study the propagation of magnetohydrodynamic (MHD) waves through nonhomogeneous, selfgravitating, magnetic media representative of molecular cloud environments and focus on the issues of cloud support and line profiles. Since the general treatment of this topic is burdened by a complex mathematical formalism, we consider simplifying geometries which yield analytical solutions in the linear wave limit. In particular, we study both magnetoacoustic and Alfven wave propagation along the density gradient in a one-imensional slab. Of specific relevance to molecular clouds, we find that the back reaction of the Alfven waves can provide a pressure along the direction of the magnetic field lines; this pressure can help support a density enhancement against gravitational collapse. Furthermore, we find that the velocity amplitudes of these waves increase as the density decreases, in rough agreement with observational estimates of line width versus density relations.

Fatuzzo, Marco↗
NASA NTRS1993

Topographic slope from the SAR interferometric phase gradient

A new algorithm for the direct calculation of topographic slope maps from synthetic aperture radar (SAR) interferograms is presented. The algorithm derives slope maps without first requiring the creation of a digital elevational model (DEM) from the interferogram, thus obviating the need for high SNR in the interferogram and altitude calibration points for the scene. SAR data useful for interferometry has been collected by the Active Microwave Imager on board the ERS-1 satellite, when it was in a short period repeat orbit. Two passes of the radar sensor form a cross-track interferometric baseline. For a point target at some position (x,y,h), the interferometric phase difference phi is proportional to the difference in path lengths for the two sensor positions to the scatterer. Given the phase difference as measured in the complex interferogram and an accurate baseline geometry, the position of the scatterer, most significantly the height h, can be determined through triangulation. The interferometric phase measurement however is known only modulo 2-pi, and hence it is necessary to determine the correct multiple of 2-pi to add to the phase at each point to obtain an estimate of the actual phase with respect to an absolute datum. This phase unwrapping process is required for creating DEM's, and is difficult or impossible for regions of low SNR or SAR image layover. The new algorithm described here derives slope maps without requiring phase unwrapping.

Werner, Charles L.↗
NASA NTRS1993

TIGER: A user-friendly interactive grid generation system for complicated turbomachinery and axis-symmetric configurations

The issue of time efficiency in grid generation is addressed by developing a user friendly graphical interface for interactive/automatic construction of structured grids around complex turbomachinery/axis-symmetric configurations. The accuracy of geometry modeling and its fidelity is accomplished by adapting the nonuniform rational b-spline (NURBS) representation. A customized interactive grid generation code, TIGER, has been developed to facilitate the grid generation process for complicated internal, external, and internal-external turbomachinery fields simulations. The FORMS Library is utilized to build user-friendly graphical interface. The algorithm allows a user to redistribute grid points interactively on curves/surfaces using NURBS formulation with accurate geometric definition. TIGER's features include multiblock, multiduct/shroud, multiblade row, uneven blade count, and patched/overlapping block interfaces. It has been applied to generate grids for various complicated turbomachinery geometries, as well as rocket and missile configurations.

Shih, Ming H.↗
NASA NTRS1999

Propellant Densification for Launch Vehicles: Simulation and Testing 1999

One of the many key technologies required to make single-stage to orbit an actuality, the technology of sub-cooling cryogenic propellants below their normal saturation temperatures and thereby making them more dense, is unquestionably on its way towards full and practical realization. The technology of Propellant Densification has been the subject of an extensive research and development program overseen by Lockheed Martin Michoud Space Systems and NASA Glenn Research Center over the past several years. This paper presents a status report of this research and development. Specifically examined within this paper is the status of the current and continuing efforts on the mathematical simulation of the in-tank propellant densification process currently baselined for the Lockheed Martin VentureStar Reusable Launch Vehicle (RLV). Keys to this modeling effort are an understanding and quantification of the effects of thermal stratification and the ability to capture the complex and unique multiple section tank geometries being proposed for future launch vehicles. A simulation that properly captures these phenomena has been developed by Lockheed Martin. Also discussed is the significant test program that has been undertaken in coordination with NASA Glenn Research Center. In this testing, the liquid hydrogen recirculation and densification process was simulated and the thermal stratification of the densified propellant was recorded throughout the tank. This testing marks the first time that such a process has been carried out within a multiple-lobe, flight-similar tank. The results from this testing have gone a long way towards grounding the mathematical models and towards demonstrating the readiness of the technology for near-term use. A further and even more ambitious test program examining the production and utilization of densified propellants is being planned for late-autumn 1999. An overview of these plans is presented.

Knowles, Timothy E.↗