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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Community Fabric: Visualizing communities and structure in dynamic networks

We present Community Fabric, a novel visualization technique for simultaneously visualizing communities and structure within dynamic networks. In dynamic networks, the structure of the network is continuously evolving throughout time and these underlying topological shifts tend to lead to communal changes. Community Fabric helps the viewer more easily interpret and understand the interplay of structural change and community evolution in dynamic graphs. To achieve this, we take a new approach, hybridizing two popular network and community visualizations. Community Fabric combines the likes of the Biofabric static network visualization method with traditional community alluvial flow diagrams to visualize communities in a dynamic network while also displaying the underlying network structure. Our approach improves upon existing state-of-the-art techniques in several key areas. We describe the methodologies of Community Fabric, implement the visualization using modern web-based tools, and apply our approach to three example data sets.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS2011

Development and Validation of a Multidisciplinary Tool for Accurate and Efficient Rotorcraft Noise Prediction (MUTE)

A physics-based, systematically coupled, multidisciplinary prediction tool (MUTE) for rotorcraft noise was developed and validated with a wide range of flight configurations and conditions. MUTE is an aggregation of multidisciplinary computational tools that accurately and efficiently model the physics of the source of rotorcraft noise, and predict the noise at far-field observer locations. It uses systematic coupling approaches among multiple disciplines including Computational Fluid Dynamics (CFD), Computational Structural Dynamics (CSD), and high fidelity acoustics. Within MUTE, advanced high-order CFD tools are used around the rotor blade to predict the transonic flow (shock wave) effects, which generate the high-speed impulsive noise. Predictions of the blade-vortex interaction noise in low speed flight are also improved by using the Particle Vortex Transport Method (PVTM), which preserves the wake flow details required for blade/wake and fuselage/wake interactions. The accuracy of the source noise prediction is further improved by utilizing a coupling approach between CFD and CSD, so that the effects of key structural dynamics, elastic blade deformations, and trim solutions are correctly represented in the analysis. The blade loading information and/or the flow field parameters around the rotor blade predicted by the CFD/CSD coupling approach are used to predict the acoustic signatures at far-field observer locations with a high-fidelity noise propagation code (WOPWOP3). The predicted results from the MUTE tool for rotor blade aerodynamic loading and far-field acoustic signatures are compared and validated with a variation of experimental data sets, such as UH60-A data, DNW test data and HART II test data.

Liu, Yi↗
DOE OSTI2023

Structure and dynamics of $\mathrm{Fe_{90}}$$\mathrm{Si_3}$$\mathrm{O_7}$ liquids close to Earth's liquid core conditions

Using an artificial neural-network machine learning interatomic potential, we have performed molecular dynamics simulations to study the structure and dynamics of $\mathrm{Fe_{90}}$$\mathrm{Si_3}$$\mathrm{O_7}$ liquid close to the Earth's liquid core conditions. Here, the simulation results reveal that the short-range structural order (SRO) in the $\mathrm{Fe_{90}}$$\mathrm{Si_3}$$\mathrm{O_7}$ liquid is very strong. About 80% of the atoms are arranged in crystallinelike SRO motifs. In particular, ~ $70$% of Fe-centered clusters can be classified as either hexagonal-close-packed-like or icosahedrallike SRO motifs. The SRO clusters centered on Fe, Si, or O atoms are strongly intermixed and homogenously distributed throughout the liquid. The atomic structure of the liquid and the fractions of dominant SRO clusters are not sensitive to pressure/temperature used in the simulations except that the SRO of the O-centered clusters is enhanced close to inner core pressures. The O-diffusion coefficient is about two to three times larger than the Fe and Si ions and increases more rapidly in the deeper core regions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRSDate not supplied

Effects of Rotation on Internal Structure and Dynamics of Main-Sequence Stars

Current state-of-the-art computer simulations allow us to build 3D dynamical and radiative models of stars from physical first principles with a high degree of realism. The radiative 3D dynamical stellar models obtained with the StellarBox code take into account the effects of turbulence, stellar abundances, a realistic equation of state, and radiative energy transport. In this talk, I will discuss the effects of rotation on the turbulent dynamics and surface structure for a 1.47Msun star for rotational periods of 1 and 14 days. The simulations are performed with the computational domain at various latitudes. The models reproduce stellar granulation, the subsurface shear layer, structural changes in convection, and the tachocline, which is the interface between the inner radiative zone and the outer convection zone and plays a crucial role in stellar variability. In particular, the model results reveal the formation of differential rotation and meridional circulation.

SMD↗
DOE OSTI2020

Thermodynamics, dynamics, and structure of supercritical water at extreme conditions

Molecular dynamics (MD) simulations to understand the thermodynamic, dynamic, and structural changes in supercritical water across the Frenkel line and the melting line have been performed. The two-phase thermodynamic model [J. Phys. Chem. B(2010), 114(24), 8191-8198] and the velocity autocorrelation functions are used to locate the Frenkel line and to calculate the thermodynamic and dynamic properties. The Frenkel lines obtained from the two-phase thermodynamic model and the velocity autocorrelation criterion do not agree with each other. Structural characteristics and the translational diffusion dynamics of water suggest that this inconsistency could arise from the two oscillatory modes in water, which are associated with the bending of hydrogen bonds and intermolecular collisions inside the first coordination shell. Finally, the overall results lead us to conclude that the universality of the Frenkel line as a dynamic crossover line from rigid to nonrigid fluids is preserved in water.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1989

Structure and dynamics of the Arizona monsoon boundary

The structure and dynamics of the Arizona monsoon boundary, defined as the boundary separating two distinctly different air masses over Mexico and the adjacent Pacific during the summer, are analyzed. The cross-sectional analysis was based on the following three data sources: a composite cross section through the boundary, constructed from the Fleet Numerical Oceanography Center analysis for 1985; a time-height cross section, obtained using radiosonde observations at the time the boundary passed through Tucson in 1984; and a cross section through the boundary of July 22, 1985, using high-resolution fields of temperature, moisture, and geopotential height obtained from the VISSR Atmospheric Sounder. All three sources yielded similar structure, showing that the Arizona monsoon boundary resembles a midlatitude front forced almost entirely by confluence. The possible role this frontlike system may play in the development of disturbances in the southwestern United States during summer is discussed.

Adang, Thomas C.↗
DOE OSTI2023

Explicit solvent machine-learned coarse-grained model of sodium polystyrene sulfonate to capture polymer structure and dynamics

In this article, strongly charged polyelectrolytes (PEs) demonstrate complex solution behavior as a function of chain length, concentrations, and ionic strength. The viscosity behavior is important to understand and is a core quantity for many applications, but aspects remain a challenge. Molecular dynamics simulations using implicit solvent coarse-grained (CG) models successfully reproduce structure, but are often inappropriate for calculating viscosities. To address the need for CG models which reproduce viscoelastic properties of one of the most studied PEs, sodium polystyrene sulfonate (NaPSS), we report our recent efforts in using Bayesian optimization to develop CG models of NaPSS which capture both polymer structure and dynamics in aqueous solutions with explicit solvent. We demonstrate that our explicit solvent CG NaPSS model with the ML-BOP water model [Chan et al. Nat Commun 10, 379 (2019)] quantitatively reproduces NaPSS chain statistics and solution structure. The new explicit solvent CG model is benchmarked against diffusivities from atomistic simulations and experimental specific viscosities for short chains. We also show that our Bayesian-optimized CG model is transferable to larger chain lengths across a range of concentrations. Overall, this work provides a machine-learned model to probe the structural, dynamic, and rheological properties of polyelectrolytes such as NaPSS and aids in the design of novel, strongly charged polymers with tunable structural and viscoelastic properties

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Solvent structure and dynamics over Brønsted acid MWW zeolite nanosheets

In the liquid phase of heterogeneous catalysis, solvent plays an important role and governs the kinetics and thermodynamics of a reaction. Although it is often difficult to quantify the role of the solvent, it becomes particularly challenging when a zeolite is used as the catalyst. This difficulty arises from the complex nature of the liquid/zeolite interface and the different solvation environments around catalytically active sites. Here, we use ab initio molecular dynamics simulations to probe the local solvation structure and dynamics of methanol and water over MWW zeolite nanosheets with varying Brønsted acidity. We find that the zeolite framework and the number and location of the acid sites in the zeolite influence the structure and dynamics of the solvent. In particular, methanol is more likely to be in the vicinity of the aluminum (Al 3+ ) at the T4 site than at T1 due to easy accessibility. The methanol oxygen binds strongly to the Al at the T4 site, weakening the Al–O for the bridging acid site, which results in the formation of the silanol group, significantly reducing the acidity of the site. The behavior of methanol is in direct contrast to that of water, where protons can easily propagate from the zeolite to the solvent molecules regardless of the acid site location. Furthermore, our work provides molecular-level insights into how solvent interacts with zeolite surfaces, leading to an improved understanding of the catalytic site in the MWW zeolite nanosheet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

The Structure and Dynamics of an Observed Moist Front

The structure and dynamics of the moist cold front of 25 and 26 April 1979, the third observing day of the Severe Environmental Storms and Mesoscale experiment (SESAME), are investigated through the use of a three-dimensional mesoscale numerical model. This work is one of the first studies in which model results are compared, in a one-to-one manner, with a detailed observational analysis, namely that of Ogura and Portis (1982) as taken from the SESAME observations. In addition, frontogenetical effects, both adiabatic and diabatic, are studied on a vertical cross-section through the front; similarities and differences with the adiabatic analysis of Ogura and Portis are discussed. Many similarities exist between the modeled and analyzed fields, although the analysis tends to have weaker horizontal gradients due to the coarseness of the observational network. Vorticity and convergence near the surface were found to have the same magnitude in both the model solution and the analysis, in contrast to idealized frontogenesis models which predict vorticity to be much larger than convergence.

Orlanski, I.↗
NASA NTRS2018

Natural Frequency Testing and Model Correlation of Rocket Engine Structures in Liquid Hydrogen - Phase I, Cantilever Beam

Many structures in the launch vehicle industry operate in liquid hydrogen (LH2), from the hydrogen fuel tanks through the ducts and valves and into the pump sides of the turbopumps. Calculating the structural dynamic response of these structures is critical for successful qualification of this hardware, but accurate knowledge of the natural frequencies is based entirely on numerical or analytical predictions of frequency reduction due to the added-fluid-mass effect because testing in LH2 has always been considered too difficult and dangerous. This fluid effect is predicted to be approximately 4-5% using analytical formulations for simple cantilever beams. As part of a comprehensive test/analysis program to more accurately assess pump inducers operating in LH2, a series of frequency tests in LH2 were performed at NASA/Marshall Space Flight Center's unique cryogenic test facility. These frequency tests are coupled with modal tests in air and water to provide critical information not only on the mass effect of LH2, but also the cryogenic temperature effect on Young's Modulus for which the data is not extensive. The authors are unaware of any other reported natural frequency testing in this media. In addition to the inducer, a simple cantilever beam was also tested in the tank to provide a more easily modeled geometry as well as one that has an analytical solution for the mass effect. This data will prove critical for accurate structural dynamic analysis of these structures, which operate in a highly-dynamic environment.

Brown, Andrew M.↗
NASA NTRS2014

Impact Testing and Simulation of Composite Airframe Structures

Dynamic tests were performed at NASA Langley Research Center on composite airframe structural components of increasing complexity to evaluate their energy absorption behavior when subjected to impact loading. A second objective was to assess the capabilities of predicting the dynamic response of composite airframe structures, including damage initiation and progression, using a state-of-the-art nonlinear, explicit transient dynamic finite element code, LS-DYNA. The test specimens were extracted from a previously tested composite prototype fuselage section developed and manufactured by Sikorsky Aircraft Corporation under the US Army's Survivable Affordable Repairable Airframe Program (SARAP). Laminate characterization testing was conducted in tension and compression. In addition, dynamic impact tests were performed on several components, including I-beams, T-sections, and cruciform sections. Finally, tests were conducted on two full-scale components including a subfloor section and a framed fuselage section. These tests included a modal vibration and longitudinal impact test of the subfloor section and a quasi-static, modal vibration, and vertical drop test of the framed fuselage section. Most of the test articles were manufactured of graphite unidirectional tape composite with a thermoplastic resin system. However, the framed fuselage section was constructed primarily of a plain weave graphite fabric material with a thermoset resin system. Test data were collected from instrumentation such as accelerometers and strain gages and from full-field photogrammetry.

Jackson, Karen E.↗
NASA NTRS1987

Space station structures and dynamics test program

The design, construction, and operation of a low-Earth orbit space station poses unique challenges for development and implementation of new technology. The technology arises from the special requirement that the station be built and constructed to function in a weightless environment, where static loads are minimal and secondary to system dynamics and control problems. One specific challenge confronting NASA is the development of a dynamics test program for: (1) defining space station design requirements, and (2) identifying the characterizing phenomena affecting the station's design and development. A general definition of the space station dynamic test program, as proposed by MSFC, forms the subject of this report. The test proposal is a comprehensive structural dynamics program to be launched in support of the space station. The test program will help to define the key issues and/or problems inherent to large space structure analysis, design, and testing. Development of a parametric data base and verification of the math models and analytical analysis tools necessary for engineering support of the station's design, construction, and operation provide the impetus for the dynamics test program. The philosophy is to integrate dynamics into the design phase through extensive ground testing and analytical ground simulations of generic systems, prototype elements, and subassemblies. On-orbit testing of the station will also be used to define its capability.

Moore, Carleton J.↗
DOE OSTI2022

All-Atom Simulations Uncover Structural and Dynamical Properties of STING Proteins in the Membrane System

Recent studies have shown that the stimulator of interferon gene (STING) protein plays a central role in the immune system by facilitating the production of type I interferons in cells. The STING signaling pathway is also a prominent activator of cancer-killing T cells that initiate a powerful adaptive immune response. Since biomolecular signaling pathways are complicated and not easily identified through traditional experiments, molecular dynamics (MD) has often been used to study structural and dynamical responses of biological pathways. In this work, we carried out MD simulations for full-length chicken and human STING (chSTING and hSTING) proteins. Specifically, we investigated ligand-bound closed (holo) and ligand-unbound open (apo) forms of STING in the membrane system by comparing their conformational and dynamical differences. Our research provides clues for understanding the mechanism of the STING signaling pathway by uncovering detailed insights for the examined systems: the residues from each chain in the binding pocket are strongly correlated to one another in the open STING structure compared with those in the closed STING structure. Ligand-bound closed STING displays ~174° rotation of the ligand-binding domain (LBD) relative to the open STING structure. The dynamical analysis of residue Cys148 located in the linker region of hSTING does not support the earlier hypothesis that Cys148 can form disulfide bonds between adjacent STING dimers. We also demonstrate that using the full-length proteins is critical, since the MD simulations of the LBD portion alone cannot properly describe the global conformational properties of STING.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2022

Interplanetary Mesoscale Observatory (InterMeso): A Mission to Untangle Dynamic Mesoscale Structures Throughout the Heliosphere

Mesoscale dynamics are a fundamental process in space physics, but fall within an observational gap of current and planned missions. Particularly in the solar wind, measurements at the mesoscales (100s RE to a few degrees heliographic longitude at 1 au) are crucial for understanding the connection between the corona and an observer anywhere within the heliosphere. Mesoscale dynamics may also be key to revealing the currently unresolved physics regulating particle acceleration and transport, magnetic field topology, and the causes of variability in the composition and acceleration of solar wind plasma. Studies using single-point observations do not allow for investigations into mesoscale solar wind dynamics and plasma variability, nor do they allow for the exploration of the sub-structuring of large-scale solar wind structures like coronal mass ejections (CMEs), co-rotating/stream interaction regions (CIR/SIRs), and the heliospheric plasma sheet. To address this fundamental gap in our knowledge of the heliosphere at these scales, the Interplanetary Mesoscale Observatory (InterMeso) concept employs a multi-point approach using four identical spacecraft in Earth-trailing orbits near 1 au. Varying drift speeds of the InterMeso spacecraft enable the mission to span a range of mesoscale separations in the solar wind, achieving significant and innovative science return. Simultaneous, longitudinally-separated measurements of structures co-rotating over the spacecraft also allow for disambiguation of spatiotemporal variability, tracking of the evolution of solar wind structures, and determination of how the transport of energetic particles is impacted by these variabilities.

solar wind↗
NASA NTRS2022

Interplanetary Mesoscale Observatory (InterMeso): A mission to untangle dynamic mesoscale structures throughout the heliosphere

Mesoscale dynamics are a fundamental process in space physics, but fall within an observational gap of current and planned missions. Particularly in the solar wind, measurements at the mesoscales (100s RE to a few degrees heliographic longitude at 1 au) are crucial for understanding the connection between the corona and an observer anywhere within the heliosphere. Mesoscale dynamics may also be key to revealing the currently unresolved physics regulating particle acceleration and transport, magnetic field topology, and the causes of variability in the composition and acceleration of solar wind plasma. Studies using single-point observations do not allow for investigations into mesoscale solar wind dynamics and plasma variability, nor do they allow for the exploration of the sub-structuring of large-scale solar wind structures like coronal mass ejections (CMEs), co-rotating/stream interaction regions (CIR/SIRs), and the heliospheric plasma sheet. To address this fundamental gap in our knowledge of the heliosphere at these scales, the Interplanetary Mesoscale Observatory (InterMeso) concept employs a multi-point approach using four identical spacecraft in Earth-trailing orbits near 1 au. Varying drift speeds of the InterMeso spacecraft enable the mission to span a range of mesoscale separations in the solar wind, achieving significant and innovative science return. Simultaneous, longitudinally-separated measurements of structures co-rotating over the spacecraft also allow for disambiguation of spatiotemporal variability, tracking of the evolution of solar wind structures, and determination of how the transport of energetic particles is impacted by these variabilities.

solar wind↗
NASA NTRS1987

Space station structures and dynamics test program

The design, construction, and operation of a low-Earth orbit space station poses challenges for development and implementation of technology. One specific challenge is the development of a dynamics test program for defining the space station design requirements, and identifying and characterizing phenomena affecting the space station's design and development. The test proposal, as outlined, is a comprehensive structural dynamics program to be launched in support of the space station (SS). Development of a parametric data base and verification of the mathematical models and analytical analysis tools necessary for engineering support of the station's design, construction, and operation provide the impetus for the dynamics test program. The four test phases planned are discussed: testing of SS applicable structural concepts; testing of SS prototypes; testing of actual SS structural hardware; and on-orbit testing of SS construction.

Bugg, Frank M.↗
NASA NTRS1993

Some experiences with Krylov vectors and Lanczos vectors

This paper illustrates the use of Krylov vectors and Lanczos vectors for reduced-order modeling in structural dynamics and for control of flexible structures. Krylov vectors and Lanczos vectors are defined and illustrated, and several applications that have been under study at The University of Texas at Austin are reviewed: model reduction for undamped structural dynamics systems, component mode synthesis using Krylov vectors, model reduction of damped structural dynamics systems, and one-sided and two-sided unsymmetric block-Lanczos model-reduction algorithms.

Craig, Roy R., Jr.↗