Thermal conductivity of high polymers.
Thermal conductivity theory based on molecular structure model to study linear amorphous high polymers, specifically polyethylene
MOLECULAR STRUCTURE↗
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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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Methodology for analysis and simulation of large multidisciplinary problems
The Integrated Structural Modeling (ISM) program is being developed for the Air Force Weapons Laboratory and will be available for Air Force work. Its goal is to provide a design, analysis, and simulation tool intended primarily for directed energy weapons (DEW), kinetic energy weapons (KEW), and surveillance applications. The code is designed to run on DEC (VMS and UNIX), IRIS, Alliant, and Cray hosts. Several technical disciplines are included in ISM, namely structures, controls, optics, thermal, and dynamics. Four topics from the broad ISM goal are discussed. The first is project configuration management and includes two major areas: the software and database arrangement and the system model control. The second is interdisciplinary data transfer and refers to exchange of data between various disciplines such as structures and thermal. Third is a discussion of the integration of component models into one system model, i.e., multiple discipline model synthesis. Last is a presentation of work on a distributed processing computing environment.
Russell, William C.↗
Structural interactions of TLP18.3 and Psb27-H1 to the luminal CP43 and Rubredoxin-ENH1 to the stromal side of Photosystem II in higher plants
TLP18.3 and Psb27 are known proteins on the luminal side of photosystem II. The structural locations of these two proteins are still absent in the currently available higher plant photosystem II cryo-EM structures. We interrogated the structural locations of these proteins using chemical cross-linking followed by liquid chromatography/tandem MS analysis. Structural mass spectrometry results then provided chemical restrains to direct structural modelling to determine the collective binding/stabilization of these two proteins to the luminal PSII CP43 protein. Using this pipeline, we also found the structural location of a Rubredoxin protein on the stromal side of PSII. Discovery of this redox active iron-sulfur protein in the vicinity of PSII subunit D1/D2 proteins, greatly showcases the importance of the redox processes that are potentially involved in PSII assembly or less known steady state functionality or photoprotection. This structural mass spectrometry platform high-lights its powerful applicability in protein complex discovery.
59 BASIC BIOLOGICAL SCIENCES↗
Characterization of gas-phase thorium nitride
In this work, properties of gas-phase thorium nitride, ThN, have been experimentally determined from a combined optical and microwave spectroscopic study. An intense band near 555 nm has been assigned as the [18.0]1.5–X 2 Σ + (0,0) transition and recorded at high resolution in the presence of static electric and magnetic fields. The observed optical Stark shifts were analyzed to determine permanent electric dipole moments, $\vec{μ}_{el}$ for the [18.0]1.5 and X 2 Σ + states of 4.38 ± 0.02D and 5.11 ± 0.09D, respectively. Zeeman shifts were used to determine the magnetic g-factors. The pure rotational spectrum was recorded using a separated field optical pump/probe microwave repopulation scheme and analyzed to determine the bond length and 14 N magnetic hyperfine and nuclear electric quadrupole parameters. A molecular orbital correlation diagram and ligand field electronic structure models are used to provide a qualitative interpretation of the electronic state ordering, magneto- and electro-static properties, and hyperfine interactions. Electronic structure calculations for the X 2 Σ + state were performed, and results were compared with observations. Observed trends in $\vec{μ}_{el}$ for the ThX (X = N, S, O, F, and Cl) series are discussed.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Application of a full-potential solver to bending-torsion flutter in cascades
A two-dimensional, unsteady, full-potential cascade aerodynamic code has been used for flutter calculations. The code, which uses a time-marching implicit scheme with internal Newton-iterations at each time step, allows oscillatory blade motions with phase lag between adjacent blades to be modeled using a single inter-blade passage. This aerodynamic code has been used with a two-degrees-of-freedom typical section structural model to determine the aeroelastic stability of a bladed disk. The unsteady pressure results calculated from the aerodynamic code have been verified by comparison with results from the linear and linearized potential theories. Flutter results have been presented for two cases. A comparison with linear theory shows identical trends; however, the present calculations show a lower flutter frequency.
Bakhle, Milind A.↗
Control of optical systems
Some of the current and planned activities at the Air Force Systems Command in structures and controls for optical-type systems are summarized. Many of the activities are contracted to industry; one task is an in-house program which includes a hardware test program. The objective of the in-house program, referred to as the Aluminum Beam Expander Structure (ABES), is to address issues involved in on-orbit system identification. The structure, which appears similar to the LDR backup structure, is about 35 feet tall. The activity to date has been limited to acquisition of about 250 hours of test data. About 30 hours of data per excitation force is gathered in order to obtain sufficient data for a good statistical estimate of the structural parameters. The development of an Integrated Structural Modeling (ISM) computer program is being done by Boeing Aerospace Company. The objective of the contracted effort is to develop a combined optics, structures, thermal, controls, and multibody dynamics simulation code.
Founds, D.↗
(abstract) Characterization of Structural Response for Systems with Loose Joints
This paper describes a technique to locate and characterize loose joints in a large truss structure to generate an accurate structural model. The joint looseness is modeled as a gap in the member that opens and closes depending on the loading. Arbitrarily placed actuators are used to prestress the structure to first linearize the response. Next the actuator displacements are systematically reduced while monitoring the displacement response. The gap locations are determined by comparing the measured displacements with sets of calculated displacements and the sizes are estimated by monitoring the gap member length changes using the appropriate linear force-displacement relationship for the load level. The effect of measurement error in the truss displacements and the actuator length changes are investigated.
truss structures loose joints displacements actuat↗
Development and Execution of the RUNSAFE Runway Safety Bayesian Belief Network Model
One focus area of the National Aeronautics and Space Administration (NASA) is to improve aviation safety. Runway safety is one such thrust of investigation and research. The two primary components of this runway safety research are in runway incursion (RI) and runway excursion (RE) events. These are adverse ground-based aviation incidents that endanger crew, passengers, aircraft and perhaps other nearby people or property. A runway incursion is the incorrect presence of an aircraft, vehicle or person on the protected area of a surface designated for the landing and take-off of aircraft; one class of RI events simultaneously involves two aircraft, such as one aircraft incorrectly landing on a runway while another aircraft is taking off from the same runway. A runway excursion is an incident involving only a single aircraft defined as a veer-off or overrun off the runway surface. Within the scope of this effort at NASA Langley Research Center (LaRC), generic RI, RE and combined (RI plus RE, or RUNSAFE) event models have each been developed and implemented as a Bayesian Belief Network (BBN). Descriptions of runway safety issues from the literature searches have been used to develop the BBN models. Numerous considerations surrounding the process of developing the event models have been documented in this report. The event models were then thoroughly reviewed by a Subject Matter Expert (SME) panel through multiple knowledge elicitation sessions. Numerous improvements to the model structure (definitions, node names, node states and the connecting link topology) were made by the SME panel. Sample executions of the final RUNSAFE model have been presented herein for baseline and worst-case scenarios. Finally, a parameter sensitivity analysis for a given scenario was performed to show the risk drivers. The NASA and LaRC research in runway safety event modeling through the use of BBN technology is important for several reasons. These include: 1) providing a means to clearly understand the cause and effect patterns leading to safety issues, incidents and accidents, 2) enabling the prioritization of specialty areas needing more attention to improve aviation safety, and 3) enabling the identification of gaps within NASA's Aviation Safety funding portfolio
Green, Lawrence L.↗
Effects of surface charge and cluster size on the electrochemical dissolution of platinum nanoparticles using COMB3 and continuum electrolyte models
We study the site-dependent dissolution of platinum nanoparticles under electrochemical conditions to assess their thermodynamic stability as a function of shape and size using empirical molecular dynamics and electronic-structure models. The third-generation charge optimized many-body potential is employed to determine the validity of uniform spherical representations of the nanoparticles in predicting dissolution potentials (the Kelvin model). To understand the early stages of catalyst dissolution, implicit solvation techniques based on the self-consistent continuum solvation method are applied. It is demonstrated that interfacial charge and polarization can shift the dissolution energies by amounts on the order of 0.74 eV depending on the surface site and nanoparticle shape, leading to the unexpected preferential removal of platinum cations from highly coordinated sites in some cases.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Distributed parameter modeling of the structural dynamics of the Solar Array Flight Experiment
A distributed-parameter model of the structural dynamics of the space-shuttle-deployed Solar Array Flight Experiment is developed and used to produce estimates of the modal frequencies and mode shapes. A lumped parameter version of the distributed model is used to estimate model characteristics by analyzing the measured responses of 32 targets. To make the modeling more tenable, a distributed parameter system is used to reduce the number of unknown parameters, a modified Newton-Raphson technique is used for rapid convergence, and a parallel processing supercomputer is used for more efficient computation. The performances of computers with a high-speed serial processor and with a high-speed parallel processor are compared. The best results are obtained with the modeling approach in which maximum likelihood estimation is applied to distributed parameter models.
Taylor, L. W., Jr.↗
Multiresolution GPC-Structured Control of a Single-Loop Cold-Flow Chemical Looping Testbed
Chemical looping is a near-zero emission process for generating power from coal. It is based on a multi-phase gas-solid flow and has extremely challenging nonlinear, multi-scale dynamics with jumps, producing large dynamic model uncertainty, which renders traditional robust control techniques, such as linear parameter varying H ∞ design, largely inapplicable. This process complexity is addressed in the present work through the temporal and the spatiotemporal multiresolution modeling along with the corresponding model-based control laws. Namely, the nonlinear autoregressive with exogenous input model structure, nonlinear in the wavelet basis, but linear in parameters, is used to identify the dominant temporal chemical looping process dynamics. The control inputs and the wavelet model parameters are calculated by optimizing a quadratic cost function using a gradient descent method. The respective identification and tracking error convergence of the proposed self-tuning identification and control schemes, the latter using the unconstrained generalized predictive control structure, is separately ascertained through the Lyapunov stability theorem. The rate constraint on the control signal in the temporal control law is then imposed and the control topology is augmented by an additional control loop with self-tuning deadbeat controller which uses the spatiotemporal wavelet riser dynamics representation. The novelty of this work is three-fold: (1) developing the self-tuning controller design methodology that consists in embedding the real-time tunable temporal highly nonlinear, but linearly parametrizable, multiresolution system representations into the classical rate-constrained generalized predictive quadratic optimal control structure, (2) augmenting the temporal multiresolution loop by a more complex spatiotemporal multiresolution self-tuning deadbeat control loop, and (3) demonstrating the effectiveness of the proposed methodology in producing fast recursive real-time algorithms for controlling highly uncertain nonlinear multiscale processes. The latter is shown through the data from the implemented temporal and augmented spatiotemporal solutions of a difficult chemical looping cold flow tracking control problem.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Analytical flutter investigation of a composite propfan model
A theoretical model and an associated computer program for predicting subsonic bending-torsion flutter in propfans are presented. The model is based on two-dimensional unsteady cascade strip theory and three-dimensional steady and unsteady lifting surface aerodynamic theory in conjunction with a finite element structural model for the blade. The analytical results compare well with published experimental data. Additional parametric studies are also presented illustrating the effects on flutter speed of steady aeroelastic deformations, blade setting angle, rotational speed, number of blades, structural damping, and number of modes.
Kaza, K. R. V.↗
Analytical flutter investigation of a composite propfan model
A theoretical model and an associated computer program for predicting subsonic bending-torsion flutter in propfans are presented. The model is based on two-dimensional unsteady cascade strip theory and three-dimensional steady and unsteady lifting surface aerodynamic theory in conjunction with a finite element structural model for the blade. The analytical results compare well with published experimental data. Additional parametric studies are also presented illustrating the effects on flutter speed of steady aeroelastic deformations, blade setting angle, rotational speed, number of blades, structural damping, and number of modes.
Kaza, K. R. V.↗
Combined Structural and Compositional Evolution of Planetary Rings Due to Micrometeoroid Impacts and Ballistic Transport
We introduce improved numerical techniques for simulating the structural and compositional evolution of planetary rings due to micrometeoroid bombardment and subsequent ballistic transport of impact ejecta. Our current, robust code is capable of modeling structural changes and pollution transport simultaneously over long times on both local and global scales. In this paper, we describe the methodology based on the original structural code of Durisen et al. (1989, Icarus 80, 136-166) and on the pollution transport code of Cuzzi and Estrada (1998, Icarus 132, 1-35). We provide demonstrative simulations to compare with, and extend upon previous work, as well as examples of how ballistic transport can maintain the observed structure in Saturn's rings using available Cassini occultation optical depth data. In particular, we explicitly verify the claim that the inner B (and presumably A) ring edge can be maintained over long periods of time due to an ejecta distribution that is heavily biased in the prograde direction through a balance between the sharpening effects of ballistic transport and the broadening effects of viscosity. We also see that a "ramp"-like feature forms over time just inside that edge. However, it does not remain linear for the duration of the runs presented here unless a less steep ejecta velocity distribution is adopted. We also model the C ring plateaus and find that their outer edges can be maintained at their observed sharpness for long periods due to ballistic transport. We hypothesize that the addition of a significant component of a retrograde-biased ejecta distribution may help explain the linearity of the ramp and is probably essential for maintaining the sharpness of C ring plateau inner edges. This component would arise for the subset of micrometeoroid impacts which are destructive rather than merely cratering. Such a distribution will be introduced in future work.
Cassini↗
Multiscale mechanical design of the lightweight, stiff, and damage-tolerant cuttlebone: A computational study
Cuttlebone, the endoskeleton of cuttlefish, offers an intriguing biological structural model for designing low-density cellular ceramics with high stiffness and damage tolerance. Cuttlebone is highly porous (porosity ~93%) and lightweight (density less than 20% of seawater), constructed mainly by brittle aragonite (95 wt%), but capable of sustaining hydrostatic water pressures over 20 atmospheres and exhibits energy absorption capability under compression comparable to many metallic foams (~4.4 kJ/kg). Here, in this work, we computationally investigate how such remarkable mechanical efficiency is enabled by the multiscale structure of cuttlebone. Using the common cuttlefish, Sepia Officinalis, as a model system, we first conducted high-resolution synchrotron micro-computed tomography (µ-CT) and quantified the cuttlebone's multiscale geometry, including the 3D asymmetric shape of individual walls, the wall assembly patterns, and the long-range structural gradient of walls across the entire cuttlebone (ca. 38 chambers). The acquired 3D structural information enables systematic finite-element simulations, which further reveal the multiscale mechanical design of cuttlebone: at the wall level, wall asymmetry provides optimized energy absorption while maintaining high structural stiffness; at the chamber level, variation of walls (number, pattern, and waviness amplitude) contributes to progressive damage; at the entire skeletal level, the gradient of chamber heights tailors the local mechanical anisotropy of the cuttlebone for reduced stress concentration. Our results provide integrated insights into understanding the cuttlebone's multiscale mechanical design and provide useful knowledge for the designs of lightweight cellular ceramics.
36 MATERIALS SCIENCE↗
Model tests for structural response of Apollo command module to water impact.
Model tests for determination of structural response of Apollo Command Module to water impact
WATER LANDING↗
Machine learning the density functional theory potential energy surface for the inorganic halide perovskite CsPbBr 3
The temperature and pressure dependence of structural phase transitions determine the structure-functionality relationships in many technologically important materials. Harmonic Hamiltonians have proven successful in predicting the vibrational properties of many materials. However, they are inadequate for modeling structural phase transitions in crystals with potential energy surfaces that are either strongly anharmonic or nonconvex with respect to collective atomic displacements or homogeneous strains. In this paper we develop a framework to express highly anharmonic first-principles potential energy surfaces as polynomials of collective cluster deformations. We further adapt the approach to a nonlinear extension of the cluster expansion formalism through the use of an artificial neural net model. Finally, the machine learning models are trained on a large database of first-principles calculations and are shown to reproduce the potential energy surface with low error.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
On the strategy of future observations and modeling of the Beta Lyr system
Beta Lyr is an enigmatic object. Despite several decades of concentrated observational and theoretical effort, our understanding of the system is still rather poor. We discuss two existing structural models of the system, the massive torus model of Wilson (1981), and the low mass accretion disk model of Hubeny & Plavec (1991). In particular, we answer recent criticism of the low mass disk model expressed by the proponents of the massive disk hypothesis. We show that although both theories have a large degree of internal consistency, there are several serious physical objections against the massive disk model. In particular, such a model requires unrealistically low viscosity (large Reynolds number). Moreover, such massive disk is likely to be dynamically unstable. Finally, we propose several observational and theoretical approaches that could lead to construction of a more physically realistic model of the Beta Lyr system.
Hubeny, I.↗