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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 829 records · Page 46

All sources NASA NTRS DOE OSTI

NASA NTRS2003

Active Control of F/A-18 Vertical Tail Buffeting using Piezoelectric Actuators

Vertical tail buffeting is a serious multidisciplinary problem that limits the performance of twin-tail fighter aircraft. The buffet problem occurs at high angles of attack when the vortical flow breaks down ahead of the vertical tails resulting in unsteady and unbalanced pressure loads on the vertical tails. This paper describes a multidisciplinary computational investigation for buffet load alleviation of full F/A-18 aircraft using distributed piezoelectric actuators. The inboard and outboard surfaces of the vertical tail are equipped with piezoelectric actuators to control the buffet responses in the first bending and torsion modes. The electrodynamics of the smart structure are expressed with a three-dimensional finite element model. A single-input-single-output controller is designed to drive the active piezoelectric actuators. High-fidelity multidisciplinary analysis modules for the fluid dynamics, structure dynamics, electrodynamics of the piezoelectric actuators, fluid-structure interfacing, and grid motion are integrated into a multidisciplinary computing environment that controls the temporal synchronization of the analysis modules. Peak values of the power spectral density of tail tip acceleration are reduced by as much as 22% in the first bending mode and by as much as 82% in the first torsion mode. RMS values of tip acceleration are reduced by as much as 12%.

Sheta, Essam F.↗

DOE OSTI2025

Single Crystals of Vanadium Oxides as a Lens for Understanding Structural and Electronic Phase Transformations, Ion Transport, Chemo-Mechanical Coupling, and Electrothermal Neuronal Emulation

Vanadium oxides cystallize in a diverse array of structures and compositions arising from the redox versatility of vanadium, variable covalency of V−O bonds, and myriad coordination geometries. Their open frameworks present abundant interstitial sites that enable insertion of guest-ions. In such compounds, V3d electron and spin localization and disorder couple strongly to structural preferences. The rich structural diversity manifests as a “rugged” free energy landscape with multiple interconvertible polymorphs. Such a landscape sets up structural, electronic, and magnetic transitions that underpin the promise of these materials as ion-insertion battery electrodes; compact primitives for brain-inspired computing, and heterogeneous catalysts. Here, we examine the structural and compositional diversity, electronic instabilities, defect dynamics, structure transformations, mechanical properties, and surface structure of vanadium oxides using single crystals as a distinctive lens. Single crystals enable the measurement of structure−function correlations without the ensemble and orientational averaging inevitable in polycrystalline materials. Their well-defined surfaces further enable examination of facet-dependent reactivity toward molecular adsorbates, ion fluxes, and lattice (mis)matched solids. We provide a comprehensive account of vanadium-oxide single-crystal studies, from delineation of common structural motifs to single-crystal growth techniques, topochemical modification strategies, mechanisms underpinning electronic instabilities, and implementation as electrothermal neurons and battery electrode materials.

Ponis, John [Texas A&M University, College Station↗

DOE OSTI2021

Reduced Complexity Model Intercomparison Project Phase 2: Synthesizing Earth System Knowledge for Probabilistic Climate Projections

Abstract Over the last decades, climate science has evolved rapidly across multiple expert domains. Our best tools to capture state‐of‐the‐art knowledge in an internally self‐consistent modeling framework are the increasingly complex fully coupled Earth System Models (ESMs). However, computational limitations and the structural rigidity of ESMs mean that the full range of uncertainties across multiple domains are difficult to capture with ESMs alone. The tools of choice are instead more computationally efficient reduced complexity models (RCMs), which are structurally flexible and can span the response dynamics across a range of domain‐specific models and ESM experiments. Here we present Phase 2 of the Reduced Complexity Model Intercomparison Project (RCMIP Phase 2), the first comprehensive intercomparison of RCMs that are probabilistically calibrated with key benchmark ranges from specialized research communities. Unsurprisingly, but crucially, we find that models which have been constrained to reflect the key benchmarks better reflect the key benchmarks. Under the low‐emissions SSP1‐1.9 scenario, across the RCMs, median peak warming projections range from 1.3 to 1.7°C (relative to 1850–1900, using an observationally based historical warming estimate of 0.8°C between 1850–1900 and 1995–2014). Further developing methodologies to constrain these projection uncertainties seems paramount given the international community's goal to contain warming to below 1.5°C above preindustrial in the long‐term. Our findings suggest that users of RCMs should carefully evaluate their RCM, specifically its skill against key benchmarks and consider the need to include projections benchmarks either from ESM results or other assessments to reduce divergence in future projections.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Structural basis for proficient oxidized ribonucleotide insertion in double strand break repair

Reactive oxygen species (ROS) oxidize cellular nucleotide pools and cause double strand breaks (DSBs). Non-homologous end-joining (NHEJ) attaches broken chromosomal ends together in mammalian cells. Ribonucleotide insertion by DNA polymerase (pol) μ prepares breaks for end-joining and this is required for successful NHEJ in vivo. We previously showed that pol μ lacks discrimination against oxidized dGTP (8-oxo-dGTP), that can lead to mutagenesis, cancer, aging and human disease. Here we reveal the structural basis for proficient oxidized ribonucleotide (8-oxo-rGTP) incorporation during DSB repair by pol μ. Time-lapse crystallography snapshots of structural intermediates during nucleotide insertion along with computational simulations reveal substrate, metal and side chain dynamics, that allow oxidized ribonucleotides to escape polymerase discrimination checkpoints. Abundant nucleotide pools, combined with inefficient sanitization and repair, implicate pol μ mediated oxidized ribonucleotide insertion as an emerging source of widespread persistent mutagenesis and genomic instability.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

E(n)-Equivariant cartesian tensor message passing interatomic potential

Machine learning potential (MLP) has been a popular topic in recent years for its capability to replace expensive first-principles calculations in some large systems. Meanwhile, message passing networks have gained significant attention due to their remarkable accuracy, and a wave of message passing networks based on Cartesian coordinates has emerged. However, the information of the node in these models is usually limited to scalars, and vectors. In this work, we propose High-order Tensor message Passing interatomic Potential (HotPP), an E(n) equivariant message passing neural network that extends the node embedding and message to an arbitrary order tensor. By performing some basic equivariant operations, high order tensors can be coupled very simply and thus the model can make direct predictions of high-order tensors such as dipole moments and polarizabilities without any modifications. The tests in several datasets show that HotPP not only achieves high accuracy in predicting target properties, but also successfully performs tasks such as calculating phonon spectra, infrared spectra, and Raman spectra, demonstrating its potential as a tool for future research.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Simulation of Channel Flow with Square Ribs for Blanket First-Wall Cooling: Geometry-Specific Tuning of k-ω Model Using Adjoint Method

Cooling of the plasma-facing first wall is challenging in the design of blanket components because of the high heat flux (on the order of 𝑀𝑊/𝑚2) from the plasma, especially when a low thermal mass medium like helium is chosen as the coolant. Therefore, heat transfer enhancement in which the convective heat transfer rate is augmented by the addition of turbulence-promoting structures becomes a key initiative for providing sufficient cooling capability with helium. Previously, computational fluid dynamics simulations had been performed on pipe flows with different transverse and longitudinal ribbed geometries at Oak Ridge National Laboratory to compare the enhancement performance among different ribbed geometries. Rib shape morphing had been conducted to obtain an optimized rib profile. In the work presented here, the adjoint method is adopted in the ANSYS Fluent solver for turbulence model augmentation, and the Generalized k-ω (GEKO) turbulence model is employed because of its ability of tuning the turbulence model. The Nusselt number and pressure drop obtained from the channel flow with bottom ribbed wall experiments are used as the targets. Sensitivity analysis provides information as guidance to improve the turbulence model accuracy. The augmented GEKO model is tuned for the studied ribbed channel geometry and flow conditions, providing improved predictive accuracy within this context. Extension to other configurations offers potential but may require additional tuning and validation.

Xu, Tracy [ORNL] (ORCID:0009000193700887)↗

DOE OSTI2024

Adaptive time stepping for the two-time integro-differential Kadanoff-Baym equations

The nonequilibrium Green's function gives access to one-body observables for quantum systems. Of particular interest are quantities such as density, currents, and absorption spectra which are important for interpreting experimental results in quantum transport and spectroscopy. We present an integration scheme for the Green's function's equations of motion, the Kadanoff-Baym equations (KBE), which is both adaptive in the time integrator step size and method order as well as the history integration order. We analyze the importance of solving the KBE self-consistently and show that adapting the order of history integral evaluation is important for obtaining accurate results. To examine the efficiency of our method, we compare runtimes to a state-of-the-art fixed time step integrator for several test systems and show an order of magnitude speedup at similar levels of accuracy. Published by the American Physical Society 2024

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Greybox Thermal Parameter Identification of Electric Machine Stators

The parameters of electric machine thermal equivalent circuit networks are difficult to predict due to material and manufacturing uncertainties. In this paper, a Greybox system identification approach is used to identify parameters of electric machine stator lumped parameter thermal networks (LPTNs). LPTNs provide a low order, computationally efficient, dynamic model of temperatures at specific locations. Second and third order LPTN model structures are defined as state space equations with stator thermal parameters to be identified. To test the Greybox electric machine stator thermal system identification, five stator motorette prototypes were constructed with controlled variations in slot fill and slot liner thickness. The variation in the motorette thermal parameters and thermal time constants are detected using the Greybox identification. Special attention is given to the impact of sampling rate and Greybox data record length on parameter estimation accuracy.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2024

Inter-Oligomer Interaction Influence on Photoluminescence in Cis-Polyacetylene Semiconductor Materials

Semiconducting conjugated polymers (CPs) are pivotal in advancing organic electronics, offering tunable properties for solar cells and field-effect transistors. Here, we carry out first-principle calculations to study individual cis-polyacetylene (cis-PA) oligomers and their ensembles. The ground electronic structures are obtained using density functional theory (DFT), and excited state dynamics are explored by computing nonadiabatic couplings (NACs) between electronic and nuclear degrees of freedom. We compute the nonradiative relaxation of charge carriers and photoluminescence (PL) using the Redfield theory. Our findings show that electrons relax faster than holes. The ensemble of oligomers shows faster relaxation compared to the single oligomer. The calculated PL spectra show features from both interband and intraband transitions. The ensemble shows broader line widths, redshift of transition energies, and lower intensities compared to the single oligomer. This comparative study suggests that the dispersion forces and orbital hybridizations between chains are the leading contributors to the variation in PL. It provides insights into the fundamental behaviors of CPs and the molecular-level understanding for the design of more efficient optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1988

Advanced composite turboprops - Modeling, structural, and dynamic analyses

This paper presents a structural and dynamic analysis of a scaled-down wind tunnel model propfan blade made from fiber composites. This blade is one of a series of propfan blades that have been tested at the NASA Lewis Research Center wind tunnel facilities. The blade is highly swept and twisted and of the spar/shell construction. Due to the complexity of the blade geometry and its high performance, it is subjected to much higher loads and tends to be much less stable than conventional blades. The structural and dynamic analyses of the blade were performed using the NASA-Lewis COBSTRAN computer code. COBSTRAN is designed to generate the mesh and calculate the anisotropic material properties for composite blade analysis. Comparison of analytical and experimental mode shapes and frequencies are shown, verifying the model development and analysis techniques used. The methodologies and programs developed for this analysis are directly applicable to other propfan blades.

Aiello, R. A.↗

NASA NTRS1990

Incompressible spatially-developing free-shear flows

The first goal of this research is to understand the dynamics of three dimensional vortical structures, especially the interaction of the ribs and two dimensional rollers. Because of vortex stretching effects, this requires accurate and well resolved simulations. Another goal is to distinguish temporally- and spatially-growing shear layers in terms of the dynamics and observed vortical structures. This is important since the former is much easier to compute, but the error incurred in using temporal results for certain applications is unknown. The third goal is to investigate the effects of asymmetry on passive scalar mixing and fast-chemistry product formation. In this report a brief summary of a new numerical method is presented, followed by results for mixing layers and wake flows.

Buell, J. C.↗

NASA NTRS1993

DSS-14 subreflector actuator dynamics during the Landers earthquake

The 28 Jun. 1992 Landers earthquake ground motion records at the Echo site (DSS-12 antenna) were adjusted to provide a better match with spectra from the measured Mars site (DSS-14 antenna) instrument tower response. A finite-element model of the antenna structural system was analyzed for response to this ground motion. Dynamic forces and displacements were computed in the locality of components that had failed during the earthquake. Calculated forces in the range of 30,000 to 35,000 lb on failed Y-axis actuator U-joints were consistent with laboratory load tests. The load capacity of these joints was found to be below the range of 34,000 to 42,000 lb. Dynamic amplification factors of from 6 to 16 were computed for the quadripod apex accelerations with respect to the ground accelerations. The largest factor--25--was found at the outboard end of the X-actuator.

Levy, R.↗

NASA NTRS1993

Finite state aeroelastic model for use in rotor design optimization

In this article, a rotor aeroelastic model based on a newly developed finite state dynamic wake, coupled with blade finite element analysis, is described. The analysis is intended for application in rotor blade design optimization. A coupled simultaneous system of differential equations combining blade structural dynamics and aerodynamics is established in a formulation well-suited for design sensitivity computation. Each blade is assumed to be an elastic beam undergoing flap bending, lead-lag bending, elastic twist, and axial deflections. Aerodynamic loads are computed from unsteady blade element theory where the rotor three-dimensional unsteady wake is described by a generalized dynamic wake model. Correlation of results obtained from the analysis with flight test data is provided to assess model accuracy.

He, Chengjian↗

NASA NTRS2001

Nonlinear Dynamics of a Diffusing Interface

Excitation of two miscible-viscous liquids inside a bounded enclosure in a microgravity environment has shown the evolution of quasi-stationary waves of various modes for a range of parameters. We examine computationally the nonlinear dynamics of the system as the interface breakup and bifurcates to resonance structures typified by the Rayleigh-Taylor instability mechanism. Results show that when the mean steady field is much smaller than the amplitude of the sinusoidal excitation, the system behaves linearly, and growth of quasi-stationary waves occurs through the Kelvin-Helmholtz instability mechanism. However, as the amplitude of excitation increases, nonlinearity occurs through subharmonic bifurcation prior to broadband chaos.

Duval, Walter M. B.↗

NASA NTRS2003

An Assessment of CFD Effectiveness for Vortex Flow Simulation to Meet Preliminary Design Needs

The low-speed flight and transonic maneuvering characteristics of combat air vehicles designed for efficient supersonic flight are significantly affected by the presence of free vortices. At moderate-to-high angles of attack, the flow invariably separates from the leading edges of the swept slender wings, as well as from the forebodies of the air vehicles, and rolls up to form free vortices. The design of military vehicles is heavily driven by the need to simultaneously improve performance and affordability.1 In order to meet this need, increasing emphasis is being placed on using Modeling & Simulation environments employing the Integrated Product & Process Development (IPPD) concept. The primary focus is on expeditiously providing design teams with high-fidelity data needed to make more informed decisions in the preliminary design stage. Extensive aerodynamic data are needed to support combat air vehicle design. Force and moment data are used to evaluate performance and handling qualities; surface pressures provide inputs for structural design; and flow-field data facilitate system integration. Continuing advances in computational fluid dynamics (CFD) provide an attractive means of generating the desired data in a manner that is responsive to the needs of the preliminary design efforts. The responsiveness is readily characterized as timely delivery of quality data at low cost.

Raj, P.↗

NASA NTRS2008

Engineering America's Current and Future Space Transportation Systems: 50 Years of Systems Engineering Innovation for Sustainable Exploration

Over the past 50 years, the National Aeronautics and Space Administration (NASA) has delivered space transportation solutions for America's complex missions, ranging from scientific payloads that expand knowledge, such as the Hubble Space Telescope, to astronauts and lunar rovers destined for voyages to the Moon. Currently, the venerable Space Shuttle, which has been in service since 1981, provides the United States' (U.S.) capability for both crew and heavy cargo to low-Earth orbit to' construct the International Space Station, before the Shuttle is retired in 2010. In the next decade, NASA will replace this system with a duo of launch vehicles: the Ares I Crew Launch Vehicle and the Ares V Cargo Launch Vehicle (Figure 1). The goals for this new system include increased safety and reliability coupled with lower operations costs that promote sustainable space exploration for decades to come. The Ares I will loft the Orion Crew Exploration Vehicle, while the heavy-lift Ares V will carry the Altair Lunar Lander and the equipment and supplies needed to construct a lunar outpost for a new generation of human and robotic space pioneers. This paper will provide details of the in-house systems engineering and vehicle integration work now being performed for the Ares I and planned for the Ares V. It will give an overview of the Ares I system-level test activities, such as the ground vibration testing that will be conducted in the Marshall Center's Dynamic Test Stand to verify the integrated vehicle stack's structural integrity and to validate computer modeling and simulation (Figure 2), as well as the main propulsion test article analysis to be conducted in the Static Test Stand. These activities also will help prove and refine mission concepts of operation, while supporting the spectrum of design and development work being performed by Marshall's Engineering Directorate, ranging from launch vehicles and lunar rovers to scientific spacecraft and associated experiments. Ultimately, fielding a robust space transportation solution that will carry international explorers and essential payloads will pave the way for a new century of scientific discovery beyond planet Earth.

Dmbacher, Daniel L.↗

NASA NTRS2008

Building on 50 Years of Systems Engineering Experience for a New Era of Space Exploration

Over the past 50 years, the National Aeronautics and Space Administration (NASA) has delivered space transportation solutions for America's complex missions, ranging from scientific payloads that expand knowledge, such as the Hubble Space Telescope, to astronauts and lunar rovers destined for voyages to the Moon. Currently, the venerable Space Shuttle, which has been in service since 1981, provides the United States (US) capability for both crew and heavy cargo to low-Earth orbit to construct the International Space Station, before the Shuttle is retired in 2010. In the next decade, NASA will replace this system with a duo of launch vehicles: the Ares I crew launch vehicle and the Ares V cargo launch vehicle. The goals for this new system include increased safety and reliability coupled with lower operations costs that promote sustainable space exploration for decades to come. The Ares I will loft the Orion crew exploration vehicle, while the heavy-lift Ares V will carry the Altair lunar lander, as well as the equipment and supplies needed to construct a lunar outpost for a new generation of human and robotic space pioneers. NASA's Marshall Space Flight Center manages the Shuttle's propulsion elements and is managing the design and development of the Ares rockets, along with a host of other engineering assignments in the field of scientific space exploration. Specifically, the Marshall Center's Engineering Directorate houses the skilled workforce and unique facilities needed to build capable systems upon the foundation laid by the Mercury, Gemini, Apollo, and Shuttle programs. This paper will provide details of the in-house systems engineering and vehicle integration work now being performed for the Ares I and planned for the Ares V. It will give an overview of the Ares I system-level testing activities, such as the ground vibration testing that will be conducted in the Marshall Center's Dynamic Test Stand to verify the integrated vehicle stack's structural integrity and to validate computer modeling and simulation, as well as the main propulsion test article analysis to be conducted in the Static Test Stand. Ultimately, fielding a robust space transportation solution that will carry international explorers and essential payloads will pave the way for a new era of scientific discovery now dawning beyond planet Earth.

Dumbacher, Daniel L.↗

NASA NTRS2021

Reduced Complexity Model Intercomparison Project Phase 2: Synthesizing Earth System Knowledge for Probabilistic Climate Projections

Over the last decades, climate science has evolved rapidly across multiple expert domains. Our best tools to capture state-of-the-art knowledge in an internally self-consistent modelling framework are the increasingly complex fully coupled Earth System Models (ESMs). However, computational limitations and the structural rigidity of ESMs mean that the full range of uncertainties across multiple domains are difficult to capture with ESMs alone. The tools of choice are instead more computationally efficient reduced complexity models (RCMs), which are structurally flexible and can span the response dynamics across a range of domain-specific models and ESM experiments. Here we present Phase 2 of the Reduced Complexity Model Intercomparison Project (RCMIP Phase 2), the first comprehensive intercomparison of RCMs that are probabilistically calibrated with key benchmark ranges from specialized research communities. Unsurprisingly, but crucially, we find that models which have been constrained to reflect the key benchmarks better reflect the key benchmarks. Under the low-emissions SSP1-1.9 scenario, across the RCMs, median peak warming projections range from 1.3 to 1.7°C (relative to 1850-1900, using an observationally-based historical warming estimate of 0.8°C between 1850-1900 and 1995-2014). Further developing methodologies to constrain these projection uncertainties seems paramount given the international community's goal to contain warming to below 1.5°C above pre-industrial in the long-term. Our findings suggest that users of RCMs should carefully evaluate their RCM, specifically its skill against key benchmarks and consider the need to include projections benchmarks either from ESM results or other assessments to reduce divergence in future projections.

Climate↗