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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Dynamic fatigue property of silicon carbide whisker-reinforced silicon nitride

The dynamic fatigue behavior of 30 vol pct SiC whisker-reinforced silicon nitride was determined in flexure as a function of temperature from 1100 to 1300 C in an air environment. The fatigue susceptibility parameter n decreased from 88.1 to 20.1 with increasing temperature from 1100 to 1300 C. A transition in the dynamic fatigue curve occurred at a lowest stressing rate of 2 MPa/min at a temperature of 1300 C, resulting in a considerably lower value of n = 5.8. This transition was primarily due to creep that was enhanced by a combination of high temperature and very slow deformation rate. The fatigue resistance of natural flaws at 1100 C was found to be greater than that of artificial flaws produced by indentation.

Choi, Sung R.↗
DOE OSTI2016

Controlling Interfacial Dynamics: Covalent Bonding versus Physical Adsorption in Polymer Nanocomposites

It is generally believed that the strength of the polymer nanoparticle interaction controls the modification of near-interface segmental mobility in polymer nanocomposites (PNCs). However, little is known about the effect of covalent bonding on the segmental dynamics and glass transition of matrix-free polymer-grafted nanoparticles (PGNs), especially when compared to PNCs. In this article, we directly compare the static and dynamic properties of poly(2-vinylpyridine)/silica-based nanocomposites with polymer chains either physically adsorbed (PNCs) or covalently bonded (PGNs) to identical silica nanoparticles (RNP = 12.5 nm) for three different molecular weight (MW) systems. Interestingly, when the MW of the matrix is as low as 6 kg/mol (RNP/Rg = 5.4) or as high as 140 kg/mol (RNP/Rg= 1.13), both small-angle X-ray scattering and broadband dielectric spectroscopy show similar static and dynamic properties for PNCs and PGNs. However, for the intermediate MW of 18 kg/mol (RNP/Rg = 3.16), the difference between physical adsorption and covalent bonding can be clearly identified in the static and dynamic properties of the interfacial layer. We ascribe the differences in the interfacial properties of PNCs and PGNs to changes in chain stretching, as quantified by self-consistent field theory calculations. These results demonstrate that the dynamic suppression at the interface is affected by the chain stretching; that is, it depends on the anisotropy of the segmental conformations, more so than the strength of the interaction, which suggests that the interfacial dynamics can be effectively tuned by the degree of stretching a parameter accessible from the MW or grafting density.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method

Molecular simulations of soft matter systems have been performed in recent years using a variety of systematically coarse-grained models. With these models, structural or thermodynamic properties can be quite accurately represented while the prediction of dynamic properties remains difficult, especially for multi-component systems. In this work, we use constraint molecular dynamics simulations for calculating dissipative pair forces which are used together with conditional reversible work (CRW) conservative forces in dissipative particle dynamics (DPD) simulations. The combined CRW-DPD approach aims to extend the representability of CRW models to dynamic properties and uses a bottom-up approach. Dissipative pair forces are derived from fluctuations of the direct atomistic forces between mapped groups. The conservative CRW potential is obtained from a similar series of constraint dynamics simulations and represents the reversible work performed to couple the direct atomistic interactions between the mapped atom groups. Neopentane, tetrachloromethane, cyclohexane, and n-hexane have been considered as model systems. These molecular liquids are simulated with atomistic molecular dynamics, coarse-grained molecular dynamics, and DPD. We find that the CRW-DPD models reproduce the liquid structure and diffusive dynamics of the liquid systems in reasonable agreement with the atomistic models when using single-site mapping schemes with beads containing five or six heavy atoms. For a two-site representation of n-hexane (3 carbons per bead), time scale separation can no longer be assumed and the DPD approach consequently fails to reproduce the atomistic dynamics.

2-2-DIMETHYLPROPANE↗
NASA NTRS1990

Dynamic modeling, property investigation, and adaptive controller design of serial robotic manipulators modeled with structural compliance

Research results on general serial robotic manipulators modeled with structural compliances are presented. Two compliant manipulator modeling approaches, distributed and lumped parameter models, are used in this study. System dynamic equations for both compliant models are derived by using the first and second order influence coefficients. Also, the properties of compliant manipulator system dynamics are investigated. One of the properties, which is defined as inaccessibility of vibratory modes, is shown to display a distinct character associated with compliant manipulators. This property indicates the impact of robot geometry on the control of structural oscillations. Example studies are provided to illustrate the physical interpretation of inaccessibility of vibratory modes. Two types of controllers are designed for compliant manipulators modeled by either lumped or distributed parameter techniques. In order to maintain the generality of the results, neither linearization is introduced. Example simulations are given to demonstrate the controller performance. The second type controller is also built for general serial robot arms and is adaptive in nature which can estimate uncertain payload parameters on-line and simultaneously maintain trajectory tracking properties. The relation between manipulator motion tracking capability and convergence of parameter estimation properties is discussed through example case studies. The effect of control input update delays on adaptive controller performance is also studied.

Tesar, Delbert↗
DOE OSTI2015

Modeling and dynamical topology properties of VANET based on complex networks theory

Vehicular Ad hoc Network (VANET) is a special subset of multi-hop Mobile Ad hoc Networks in which vehicles can not only communicate with each other but also with the fixed equipments along the roads through wireless interfaces. Recently, it has been discovered that essential systems in real world share similar properties. When they are regarded as networks, among which the dynamic topology structure of VANET system is an important issue. Many real world networks are actually growing with preferential attachment like Internet, transportation system and telephone network. Those phenomena have brought great possibility in finding a strategy to calibrate and control the topology parameters which can help find VANET topology change regulation to relieve traffic jam, prevent traffic accident and improve traffic safety. VANET is a typical complex network which has its basic characteristics. In this paper, we focus on the macroscopic Vehicle-to-Infrastructure (V2I) and Vehicle-to-Vehicle (V2V) inter-vehicle communication network with complex network theory. In particular, this paper is the first one to propose a method analyzing the topological structure and performance of VANET and present the communications in VANET from a new perspective. Accordingly, we propose degree distribution, clustering coefficient and the short path length of complex network to implement our strategy by numerical example and simulation. All the results demonstrate that VANET shows small world network features and is characterized by a truncated scale-free degree distribution with power-law degree distribution. The average path length of the network is simulated numerically, which indicates that the network shows small-world property and is rarely affected by the randomness. What’s more, we carry out extensive simulations of information propagation and mathematically prove the power law property when γ > 2. The results of this study provide useful information for VANET optimization from a macroscopic perspective.

36 MATERIALS SCIENCE↗
DOE OSTI2020

An iterative learning and inference approach to managing dynamic cyber-vulnerabilities of complex systems

As modern systems become increasingly reliant on cyber-technologies and continue to be integrated with physical systems, managing risks from deliberate and non-deliberate sources is a significant research challenge. Unlike strictly physical systems, cyber-enabled physical systems are influenced by dynamic and evolving technologies, environments, and attack mechanisms. As a result, vulnerabilities are rapidly changing and difficult to detect and manage. While there is recent interest in the dynamic properties of performance through resilience analysis, limited research addresses the dynamic nature of cyber-system vulnerability. This paper presents a dynamic iterative learning approach to evaluate the state of health for systems as related to cyber-vulnerabilities. These time-varying system health characteristics may not be visible, but can be inferred using observable characteristics. The approach recognizes that multiple types of vulnerabilities need to be included in a holistic system health assessment. The methods are applied to the Common Vulnerability Scoring System database containing over 100,000 documented cybersecurity vulnerabilities. This work is the first to acknowledge the dynamic properties of cyber-vulnerability, while also inferring system health using observable data and hidden states of system health. This work will be of interest to managers of large-scale cyber-enabled physical systems who are seeking to prioritize system health investments.

Chatterjee, Samrat↗
DOE OSTI2024

Relating Hydro–Mechanical and Elastodynamic Properties of Dynamically Stressed Tensile–Fractured Rock in Relation to Applied Normal Stress, Fracture Aperture, and Contact Area

We exploit nonlinear elastodynamic properties of fractured rock to probe the micro-scale mechanics of fractures and understand the relation between fluid transport and fracture aperture under dynamic stressing. Experiments were conducted on rough, tensile-fractured Westerly granite subject to triaxial stresses. We measure fracture permeability for steady-state fluid flow with deionized water. Pore pressure oscillations are applied at amplitudes ranging from 0.2 to 1 MPa at 1 Hz frequency. During dynamic stressing we transmit ultrasonic signals through the fracture using an array of piezoelectric transducers (PZTs) to monitor evolution of interface properties. We examine the influence of fracture aperture and contact area by conducting measurements at effective normal stresses of 10–20 MPa. Additionally, the evolution of contact area with stress is characterized using pressure sensitive film. These experiments are conducted separately with the same fracture and map contact area at stresses from 9 to 21 MPa. The measurements are a proxy for “true” contact area for the fracture surface and we relate them to elastic properties using the calculated PZT sensor footprints via numerical modeling of Fresnel zones. We compare the elastodynamic response of the fracture using the stress-induced changes in ultrasonic wave velocities for transmitter-receiver pairs to image spatial variations in contact properties. We show that nonlinear elasticity and permeability enhancement decrease with increasing normal stress. Additionally, post-oscillation wave velocity and permeability exhibit quick recoveries toward pre-oscillation values. Estimates of fracture contact area (global and local) demonstrate that the elastodynamic and permeability responses are dominated by fracture topology.

58 GEOSCIENCES↗
NASA NTRS1990

FIRE Science Results 1988

FIRE (First ISCCP Regional Experiment) is a U.S. cloud-radiation program that seeks to address the issues of a basic understanding and parameterizations of cirrus and marine stratocumulus cloud systems and ISCCP data products. The papers describe research analysis of data collected at the 1986 Cirrus Intensive Field Observations (IFO), the 1987 Marine Stratocumulus IFO, and the Extended Time Observations. The papers are grouped into sessions on satellite studies, lidar/radiative properties/microphysical studies, radiative properties, thermodynamic and dynamic properties, case studies, and large scale environment and modeling studies.

Mcdougal, David S.↗
DOE OSTI2017

Induced polarization restricts the conformational distribution of a light-harvesting molecular triad in the ground state

The light-harvesting molecular triad consisting of carotenoid polyene (C), diaryl-porphyrin (P) and pyrrole-fullerene (C60) is a donor–acceptor molecule capable of absorbing incident light in the visible range. Its ability to convert solar energy to electrical excitation and charge separation energy suggests a great potential in real-world applications. The ensemble of its conformations under ambient conditions varies widely according to its electronic state. In previous work, we applied a non-polarizable model to study the conformational distribution of the molecular triad in the ground and charge separated states. However, due to the lack of polarization, which imparts subtle changes in the charge distribution on atoms, molecular simulations fail to produce accurate average dipole moments. We developed the first polarizable model for a molecular triad to investigate the structural and dynamic properties of a molecular triad in the ground state in an explicit organic solvent, tetrahydrofuran (THF). We performed first-principles electronic structure calculations of the individual components in the triad as well as THF and then fit the partial atomic charges to the electrostatic potential using the i-RESP methodology. We validated these force field parameters by comparing the thermodynamic and dynamic properties obtained from molecular dynamics simulations with those from experiments. We enhanced the sampling of the triad conformations with replica exchange molecular dynamics simulations. We characterized the effects of induced polarization on the structural stability of the triad by analyzing the free energy landscapes constructed with polarizable force fields. Furthermore, by using principal component analysis, we found that the molecular triad conformations adopted a small range of torsional angles with induced polarization. The triad conformation solvated in polar solvent with a polarizable force field qualitatively agrees with that obtained from nuclear magnetic resonance spectroscopy.

Starovoytov, Oleg N.↗
DOE OSTI2026

Quantum effects on the dynamics and properties of soft materials

The quantum effects of nuclear and electronic motion play an important role in the structure, dynamics, and function of soft materials, yet they are difficult to capture with conventional classical simulations or static electronic–structure methods. In this work several complementary approaches for treating quantum effects in polymeric and soft–matter systems are demonstrated, with a focus being on the hydrogen-bonded networks, ion and charge transport, and photoactive chromophores. The proton transfer, tunneling, and isotope effects are captured within the reduced-dimensionality models by implementing grid-based nuclear quantum dynamics in terms of the discrete variable and Fourier bases. The nuclear quantum dynamics is extended to larger systems by employing the quantum trajectories and quantum–thermal bath schemes combined with on-the-fly electronic structure, enabling the description of high-dimensional polymeric environments at feasible cost. The dynamics in the electronic degrees of freedom, simulating the optical response in large chromophores such as chlorophylls, is performed using the real-time time-dependent density functional theory implemented in the real-space multigrid (RMG) code. These approaches are demonstrated on case studies of the proton and hydroxide transport in hydrated polymer membranes, charge transfer in conjugated polymers, and the optical spectra of chlorophyll chromophores relevant to polymerized chlorophyll materials and chlorophyll–polymer hybrids. The reviewed methods and applications highlight practical routes of including quantum effects in simulations of soft functional materials.

Garashchuk, Sophya [Univ. of South Carolina, Colum↗
NASA NTRS1978

Measurement of the time-temperature dependent dynamic mechanical properties of boron/aluminum composites

A flexural vibration test and associated equipment were developed to accurately measure the low strain dynamic modulus and damping of composite materials from -200 C to over 500 C. The basic test method involves the forced vibration of composite bars at their resonant free-free flexural modes in a high vacuum cryostat furnace. The accuracy of these expressions and the flexural test was verified by dynamic moduli and damping capacity measurements on 50 fiber volume percent boron/aluminum (B/Al) composites vibrating near 2000 Hz. The phase results were summarized to permit predictions of the B/Al dynamic behavior as a function of frequency, temperature, and fiber volume fraction.

Dicarlo, J. A.↗
DOE OSTI2019

Additive Manufactured Materials Studies

The production of additively manufactured (AM) materials, is a growing technology that potentially offers more cost effective ways to produce metallic components for various uses. Mechanical properties of some AM metals have been studied, but more work is needed to better understand their dynamic properties as a function of orientation. Due to the melting and reheating of molten metal during fabrication, these materials tend to have internal porosity and slightly different microstructures along the weldments and normal to the weldments that may cause the materials to behave differently than their forged counterparts. The AM process builds up a part layer by layer, which provides opportunities to tailor geometry and optimize structural performance in addition to minimizing the amount of material waste for oddly shaped parts, thereby reducing cost. These advanced materials hold great promise for revolutionizing design, fabrication, and assembly of engineered components and could be used for many NNSA-specific applications including armoring complex elements of nuclear weapons, and customized diagnostic components in subcritical experiments. We have conducted materials studies in collaboration with the University of Nevada, Las Vegas (UNLV) as well as Los Alamos National Laboratory (LANL) under our Site-Directed Research and Development program and the Nevada Science Initiative. We are currently placing emphasis on quantifying how dynamic properties are affected by directionality and porosity of the material. A study of dynamic failure events in forged, layered, and additive manufactured (AM) titanium alloy subject to hypervelocity impact was conducted in collaboration with UNLV. Experiments were conducted using a two stage light-gas gun, 0.22-caliber Lexan projectiles, and different types of titanium target plates. A four-channel Photonic Doppler Velocimetry (PDV) system was used to study the free surface velocities to provide an understanding of the different failure mechanisms in these materials. The experimental measurements were used to validate computational simulations, which describe the behavior of these materials under shock. It was determined that AM, forged titanium, and multi-layered stacks produce similar velocity profiles during the early stage of impact, with the AM targets exhibiting spall at lower velocities and the multi-layered stacks exhibiting vibrations between plates. Simulations of solid and layered forged materials provide a good match to experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The influence of dynamic rheological properties on carbon fiber-reinforced polyetherimide for large-scale extrusion-based additive manufacturing

Printing high-performance thermoplastics on large scale extrusion-based additive manufacturing platforms requires stability over a range of processing conditions. Yet, research on the melt dynamics and processing conditions of these thermoplastics in big area additive manufacturing (BAAM) are limited. This report characterizes the dynamic rheological behavior of polyetherimide (PEI), a high-performance thermoplastic, as well as carbon fiber (CF)-reinforced PEI composites as a BAAM feedstock material. The viscoelastic properties, such as the storage and loss moduli and complex viscosity, are investigated in relation to the BAAM extrusion process. The results show that CF-PEI composites behave like a viscous liquid during BAAM extrusion. The addition of CF to PEI enhances the shear thinning effect and significantly increases the complex viscosity (2.5× increase for 20% CF, and 3× for 30% CF). The increased viscosity increases the torque on the extruder, which may be alleviated by increasing the material processing temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Static and dynamic magnetic properties of honeycomb lattice antiferromagnets Na 2 M 2 TeO 6 , M = Co and Ni

The magnetic structures and spin dynamics of Na 2 CO 2 TeO 6 and Na 2 Ni 2 TeO 6 are investigated by means of elastic and inelastic neutron scattering measurements and the results are discussed in the context of a generalized Kitaev-Heisenberg model on a honeycomb lattice with strong spin-orbit coupling. The large number of parameters involved in the Hamiltonian model is evaluated by using an iterative optimization algorithm capable of extracting model solutions and simultaneously estimating their uncertainty. The analyses indicate that both Co 2+ (d 7 ) and Ni 2+ (d 8 ) antiferromagnets realize bond-dependent anisotropic nearest-neighbor interactions and support the theoretical predictions for the realization of Kitaev physics in 3 d electron systems with effective spins S = 1/2 and 1. By studying the Na-doped system Na 2.4 Ni 2 TeO 6 , we show that the control of Na content can provide an effective route for fine-tuning the magnetic lattice dimensionality, as well as to controlling the bond-dependent anisotropic interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1978

Measurement of the time-temperature dependent dynamic mechanical properties of boron/aluminum composites

A relatively simple flexural vibration test is developed for accurate measurement of the low-strain dynamic modulus and damping capacity of B/Al composite bar specimens from -200 C to over 500 C. The specimens are prepared from 8-ply unidirectional panels containing 50 volume percent fibers composed of 203-micron commercial boron-on-tungsten fibers. The basic test technique consists of the forced flexural vibration of the composite bar specimens at their two lowest free-free symmetrical resonant modes in a high-vacuum cryostat furnace. Specimen damping is determined from oscilloscope photographs of the free decay obtained after simultaneously removing the resonant drive signal and grounding the vibration-drive electrode. The availability of time-temperature dynamic data coupled with the predictive accuracy of composite theory suggests a future potential for using such data in examining environmental effects on composite macrostructure and microstructure.

Dicarlo, J. A.↗
NASA NTRS1972

Development of procedures for calculating stiffness and damping properties of elastomers in engineering applications. Part 1: Verification of basic methods

The primary aim of this investigation was verification of basic methods which are to be used in cataloging elastomer dynamic properties (stiffness and damping) in terms of viscoelastic model constants. These constants may then be used to predict dynamic properties for general elastomer shapes and operating conditions, thereby permitting optimum application of elastomers as energy absorption and/or energy storage devices in the control of vibrations in a broad variety of applications. The efforts reported involved: (1) literature search; (2) the design, fabrication and use of a test rig for obtaining elastomer dynamic test data over a wide range of frequencies, amplitudes, and preloads; and (3) the reduction of the test data, by means of a selected three-element elastomer model and specialized curve fitting techniques, to material properties. Material constants thus obtained have been used to calculate stiffness and damping for comparison with measured test data. These comparisons are excellent for a number of test conditions and only fair to poor for others. The results confirm the validity of the basic approach of the overall program and the mechanics of the cataloging procedure, and at the same time suggest areas in which refinements should be made.

Chiang, T.↗
DOE OSTI2024

Development of a coarse-grained molecular dynamics model for poly(dimethyl- co -diphenyl)siloxane

Polydimethylsiloxane is an important polymeric material with a wide range of applications. However, environmental effects like low temperature can induce crystallization in this material with resulting changes in its structural and dynamic properties. The incorporation of phenyl-siloxane components, e.g., as in a poly(dimethyl-co-diphenyl)siloxane random copolymer, is known to suppress such crystallization. Molecular dynamics (MD) simulations can be a powerful tool to understand such effects in atomistic detail. Unfortunately, all-atomistic molecular dynamics (AAMD) is limited in both spatial dimensions and simulation times it can probe. Here, to overcome such constraints and to extend to more useful length- and time-scales, we systematically develop a coarse-grained molecular dynamics (CGMD) model for the poly(dimethyl-co-diphenyl)siloxane system with bonded and non-bonded interactions determined from all-atomistic simulations by the iterative Boltzmann inversion (IBI) method. Additionally, we propose a lever rule that can be useful to generate non-bonded potentials for such systems without reference to the all-atomistic ground truth. Our model captures the structural and dynamic properties of the copolymer material with quantitative accuracy and is useful to study long-time dynamics of highly-entangled systems, sequence-dependent properties, phase behaviour, etc.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Properties of gravitationally equilibrated Yukawa systems—A molecular dynamics study

Using 2D Molecular Dynamics simulation, the equilibrium and dynamical properties of a gravitationally equilibrated Yukawa liquid are investigated. We observe that due to asymmetry introduced in one direction by gravity, several interesting features arise. For example, for a given value of coupling parameter Γ, screening parameter κ, and according to a chosen value of gravitational force g (say in y-direction), the system is seen to exhibit super-, sub- or normal diffusion. Interestingly, x-averaged density profiles, unlike a barotropic fluid, acquires sharp, free surface with scale free linear y-dependence. As can be expected for a system with macroscopic gradients, self-diffusion calculated from Green-Kubo’s formalism does not agree with that obtained from Einstein-Smoluchowski diffusion. A 2D angular-radial pair correlation function g(r, θ) clearly indicates asymmetric features induced by gravity. We observe that due to compression in y-direction, though in liquid state for all values of gravity considered, the transverse mode is found to predominant as compared to the longitudinal mode, leading to a novel Anisotropic Solid-like Yukawa liquid.

74 ATOMIC AND MOLECULAR PHYSICS↗