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At least 307 records · Page 17

A computer program for calculation of spectral radiative properties of gas mixtures

A computer code is described whereby calculations of radiative properties of gas mixtures may be made. The program is arranged so that distinct radiative processes for each species are computed in individual subroutines. Provision is made for calculating radiative properties in nonequilibrium situations - separate rotational, vibrational, and electronic temperatures may be used. These features should provide a flexibility not currently available in such programs. The basic equations and the program listing in FORTRAN 4 language are presented. Sample calculations are given for high temperature air and carbon dioxide and are compared to calculations made with previously developed programs.

Nealy, J. E.↗

Tailoring of composite links for optimal damped elasto-dynamic performance

A method is developed for the optimal design of composite links based on dynamic performance criteria directly related to structural modal damping and dynamic stiffness. An integrated mechanics theory correlates structural composite damping to the parameters of basic composite material systems, laminate parameters, link shape, and modal deformations. The inclusion of modal properties allows the selective minimization of vibrations associated with specific modes. Ply angles and fiber volumes are tailored to obtain optimal combinations of damping and stiffness. Applications to simple composite links indicate wide margins for trade-offs and illustrate the importance of various design variables to the optimal design.

Saravanos, D. A.↗

Tailoring of composite links for optimal damped elasto-dynamic performance

A method is developed for the optimal design of composite links based on dynamic performance criteria directly related to structural modal damping and dynamic stiffness. An integrated mechanics theory correlates structural composite damping to the parameters of basic composite material systems, laminate parameters, link shape, and modal deformations. The inclusion of modal properties allows the selective minimization of vibrations associated with specific modes. Ply angles and fiber volumes are tailored to obtain optimal combinations of damping and stiffness. Applications to simple composite links indicate wide margins for trade-offs and illustrate the importance of various design variables to the optimal design.

Saravanos, D. A.↗

Computational simulation of acoustic fatigue for hot composite structures

This paper presents predictive methods/codes for computational simulation of acoustic fatigue resistance of hot composite structures subjected to acoustic excitation emanating from an adjacent vibrating component. Select codes developed over the past two decades at the NASA Lewis Research Center are used. The codes include computation of (1) acoustic noise generated from a vibrating component, (2) degradation in material properties of the composite laminate at use temperature, (3) dynamic response of acoustically excited hot multilayered composite structure, (4) degradation in the first-ply strength of the excited structure due to acoustic loading, and (5) acoustic fatigue resistance of the excited structure, including propulsion environment. Effects of the laminate lay-up and environment on the acoustic fatigue life are evaluated. The results show that, by keeping the angled plies on the outer surface of the laminate, a substantial increase in the acoustic fatigue life is obtained. The effect of environment (temperature and moisure) is to relieve the residual stresses leading to an increase in the acoustic fatigue life of the excited panel.

Singhal, S. N.↗

Resistance to Rolling in the Adhesive Contact of Two Elastic Spheres

For the stability of agglomerates of micron sized particles it is of considerable importance to study the effects of tangential forces on the contact of two particles. If the particles can slide or roll easily over each other, fractal structures of these agglomerates will not be stable. We use the description of contact forces by Johnson, Kendall and Roberts, along with arguments based on the atomic structure of the surfaces in contact, in order to calculate the resistance to rolling in such a contact. It is shown that the contact reacts elastically to torque forces up to a critical bending angle. Beyond that, irreversible rolling occurs. In the elastic regime, the moment opposing the attempt to roll is proportional to the bending angle and to the pull-off force P(sub c). Young's modulus of the involved materials has hardly any influence on the results. We show that agglomerates of sub-micron sized particles will in general be quite rigid and even long chains of particles cannot be bent easily. For very small particles, the contact will rather break than allow for rolling. We further discuss dynamic properties such as the possibility of vibrations in this degree of freedom and the typical amount of rolling during a collision of two particles.

Dominik, C.↗

Resistance to Rolling in the Adhesive Contact of Two Elastic Spheres

For the stability of agglomerates of micron sized particles it is of considerable importance to study the effects of tangential forces on the contact of two particles. If the particles can slide or roll easily over each other, fractal structures of these agglomerates will not be stable. We use the description of contact forces by Johnson, Kendall and Roberts, along with arguments based on the atomic structure of the surfaces in contact, in order to calculate the resistance to rolling in such a contact. It is shown that the contact reacts elastically to torque forces up to a critical bending angle. Beyond that, irreversible rolling occurs. In the elastic regime, the moment opposing the attempt to roll is proportional to the bending angle and to the pull-off force P(sub c). Young's modulus of the involved materials has hardly any influence on the results. We show that agglomerates of sub-micron sized particles will in general be quite rigid and even long chains of particles cannot be bent easily. For very small particles, the contact will rather break than allow for rolling. We further discuss dynamic properties such as the possibility of vibrations in this degree of freedom and the typical amount of rolling during a collision of two particles.

Dominik, C.↗

Theoretical Characterization of the NNO...O3 and NNO...O Complexes

The bonding mechanisms and bond strengths of complexes between two molecular and/or atomic species will be discussed. The implications of complex formation for stratospheric chemistry will be presented. Results of theoretical calculations on NNO ... O3 and NNO ...O will be used as specific examples to illustrate the principles of complex formation. The equilibrium structures and binding energies of these complexes will be presented as well as shifts in other molecular properties due to complexation, such as vibrational frequencies. Thermal dissociation rates will be presented. The theoretical methodology used in this study consists of high-level coupled-cluster calculations and more approximate density functional theory approaches, together with large one-particle basis sets.

Lee, Timothy J.↗

Effect of surface roughness on liquid property measurements using mechanically oscillating sensors

The resonant frequency and quality factor Q of a liquid immersed magnetoelastic sensor are shown to shift linearly with the liquid viscosity and density product. Measurements using different grade oils, organic chemicals, and glycerol-water mixtures show that the surface roughness of the sensor in combination with the molecular size of the liquid play important roles in determining measurement sensitivity, which can be controlled through adjusting the surface roughness of the sensor surface. A theoretical model describing the sensor resonant frequency and quality factor Q as a function of liquid properties is developed using a novel equivalent circuit approach. Experimental results are in agreement with theory when the liquid molecule size is larger than the average surface roughness. However, when the molecular size of the liquid is small relative to the surface roughness features molecules are trapped, and the trapped molecules act both as a mass load and viscous load; the result is higher viscous damping of the sensor than expected. c2002 Elsevier Science B.V. All rights reserved.

Non-NASA Center↗

Micro-mechanics of micro-composites

The Structural Dynamics branch at NASA LaRC is working on developing an active passive mount system for vibration control. Toward this end a system utilizing piezoelectric actuators is currently being utilized. There are limitations to the current system related to space applications under which it is desired to eliminate deformations in the actuators associated with thermal effects. In addition, a material that is readily formable into complex shapes and whose mechanical properties can be optimized with regards to vibration control would be highly desirable. Microcomposite material are currently under study to service these needs. Microcomposite materials are essentially materials in which particles on the scale of microns are bound together with a polyimide (LaRC Si) that has been developed at LaRC. In particular a micro-composite consisting of LaRC Si binder and piezoelectric ceramic particles shows promise in satisfying the needs of the active passive mount project. The LaRC/ Si microcomposite has a unique combination of piezoelectric properties combined with a near zero coefficient of thermal expansion and easy machinability. The goal of this ASEE project is to develop techniques to analytically determine important material properties necessary to characterize the dynamic properties of actuators and mounts made from the LaRC Si / ceramic microcomposite. In particular, a generalized method of cells micromechanics originally developed at NASA Lewis is employed to analyze the microstructural geometry of the microcomposites and predict the overall mechanical properties of the material. A testing program has been established to evaluate and refine the GMC approach to these materials. In addition, a theory of mixtures analysis is being developed that utilizes the GMC micromechanics information to analyze complex behavior of the microcomposite material which has a near zero CTE.

Donovan, Richard P.↗

Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates

Type-I clathrate solids have attracted significant interest due to their ultralow thermal conductivities and sub- sequent promise for thermoelectric applications, yet the mechanisms underlying these properties are not well understood. Here, we extend the framework of vibrational dynamical mean-field theory (VDMFT) to calculate temperature-dependent thermal transport properties of solids using a many-body Green’s function approach. When applied to a coarse-grained description of 𝑋 8 Ga 16 Ge 30 , where 𝑋= Ba, Sr, we find that nonresonant scattering between cage acoustic modes and rattling modes leads to a reduction of acoustic phonon lifetimes and thus thermal conductivities. Moreover, we find that the moderate temperature dependence of conductivities above 300 K, which is consistent with experimental measurements, cannot be reproduced by textbook perturbation theory calculations, which predict a 𝑇 −1 dependence. Therefore, we suggest that nonperturbative anharmonic effects, including four- and higher-phonon scattering processes, are responsible for the ultralow thermal conductivities of type-I clathrates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Temperature-Dependent Electrical and Micromechanical Properties of Lanthanum Titanate with Additions of Yttria

Temperature-dependent elastic properties were determined by establishing continuous flexural vibrations in the material at its lowest resonance frequency of 31tHz. The imaginary part of the complex impedance plotted as a function of frequency and temperature reveals a thermally activated peak, which decreases in magnitude as the temperature increases. Additions of yttria do not degrade the electromechanical in particularly the elastic and anelastic properties of lanthanum titanate. Y2O3/La2Ti2O7 exhibits extremely low internal friction and hence may be more mechanical fatigue-resistant at low strains.

Goldsby, Jon C.↗

Probing molecular vibrations by monochromated electron microscopy

Chemical bonds fundamentally determine molecular properties and are prevalently characterized by various spectroscopic means such as infrared and Raman spectroscopies. However, the spatial resolution of these conventional approaches is insufficient to reveal nanoscale features. Recently, monochromated electron energy-loss spectroscopy (EELS) in the transmission electron microscope achieved a groundbreaking energy resolution of a few millielectronvolts and enabled direct observation of molecular vibrational spectrum with unmatched spatial resolution. Vibrational EELS is widely applicable to both organic and inorganic matter in the solid state or liquid phase. In this study, we introduce recent advancements and key concepts of this method, compare with other spectroscopic techniques, and discuss future developments for potential applications in research fields centered on catalysts, polymers, and live cells.

Vibrational Spectroscopy↗

A scaling law for energy transfer by inelastic electron-molecule collisions in mixtures

The equation governing the electron energy distribution in the presence of a spatially uniform electric field in a weakly ionized gas was reformulated into an integral equation for the logarithmic slope of the distribution function. For gas mixtures in which the dominant electron energy loss mechanism is by vibrational excitation of the molecules, this equation is suitable for approximate analysis and exact numerical solution by iteration. Superelastic collisions are easily included in this formulation, and do not seriously effect the convergence of the numerical scheme. The approximate analytical results are only qualitatively correct, but suggest appropriate parameters which correlate the exact numerical results very well. The distribution function as well as certain gross properties such as net energy transfer into vibration, mean energy, and drift velocity depend primarily on a single nondimensional parameter involving only E/N and the cross sections.

Bienkowski, G. K.↗

Current Advances in i‐MAX Phases and their Two Dimensional Derivative i‐MXenes: Challenges and Opportunities (Adv. Electron. Mater. 21/2025)

The discovery of quaternary (M′ 2/3 M′′ 1/3 ) 2 AX phases has introduced newly ordered i-MAX phases in the MAX phase community. These atomically layered solids display in-plane chemical ordering of M′ and M′′, featuring a frustrated triangular lattice overlaid on an M′ honeycomb arrangement and an A Kagomé lattice. This unique structure gives rise to novel electronic and magnetic properties, paving the way for diverse applications and the creation of new MXenes. Both experimental and theoretical research have confirmed that these i-MAX phases can be chemically exfoliated into single- or multilayered and vacancy-ordered 2D transition metal carbides, known as i-MXenes. These 2D i-MXenes exhibit intriguing optical, electrochemical, piezoelectric, and magnetic properties, which are decidedly reliant on the surface functional groups (-F, -OH, -O). This review encompasses all available theoretical and experimental studies on i-MAX and i-MXenes, with a focus on their fundamental properties, organized in multiple sections. Along with the experimental investigation, significant attention is also directed toward theoretical predictions of potential i-MAX phases and i-MXenes, including their structural, vibrational, electronic, optical, magnetic, mechanical, piezoelectric, and electrochemical properties. This article provides a comprehensive understanding of vital properties of these materials by providing a review of foundational literature with existing challenges, limitations, and future perspectives.

electrochemical, electronic↗

Mechanical Response of Elastomers to Magnetic Fields

Elastomeric materials represent an important class of engineering materials, which are widely used to make components of structures, machinery, and devices for vibration and noise control. Elastomeric material possessing conductive or magnetic properties have been widely used in applications such as conductive and magnetic tapes, sensors, flexible permanent magnets, etc. Our interest in these materials has focussed on understanding and controlling the magnitude and directionality of their response to applied magnetic fields. The effect of magnetic fields on the mechanical properties of these materials has not been the subject of many published studies. Our interest and expertise in controllable fluids have given us the foundation to make a transition to controllable elastomers. Controllable elastomers are materials that exhibit a change in mechanical properties upon application of an external stimuli, in this case a magnetic field. Controllable elastomers promise to have more functionality than conventional elastomers and therefore could share the broad industrial application base with conventional elastomers. As such, these materials represent an attractive class of smart materials, and may well be a link that brings the applications of modern control technologies, intelligent structures and smart materials to a very broad industrial area. This presentation will cover our research work in the area of controllable elastomers at the Thomas Lord Research Center. More specifically, the presentation will discuss the control of mechanical properties and mathematical modeling of the new materials prepared in our laboratories along with experiments to achieve adaptive vibration control using the new materials.

Munoz, B. C.↗

Inelastic neutron spectra of polyacrylonitrile-based carbon fibers

We present the vibrational spectra of polyacrylonitrile-based carbon fibers collected using inelastic neutron scattering. We ascertain the behavior of a broad range of vibrational spectra that are optically silent, and demonstrate a direct connection between these modes and thermomechanical properties of the fibers. We show directionally dependent coupling of hydrogen in the carbon fiber matrix, which is directly linked to mechanical properties. Further, we show hydrogen preferentially couples to the midband of the vibrational spectrum, and that there are higher overall mode populations in the traditional Raman D–G intervalley region, suggesting involvement of these modes in tensile strength reduction and transport properties.

36 MATERIALS SCIENCE↗

Properties of Gaseous Deprotonated L-Cysteine S-Sulfate Anion [cysS-SO3]−: Intramolecular H-Bond Network, Electron Affinity, Chemically Active Site, and Vibrational Fingerprints

L-cysteine S-sulfate, Cys-SSO3H, and their derivatives play essential roles in biological chemistry and pharmaceutical synthesis, yet their intrinsic molecular properties have not been studied to date. In this contribution, the deprotonated anion [cysS-SO3]− was introduced in the gas phase by electrospray and characterized by size-selected, cryogenic, negative ion photoelectron spectroscopy. The electron affinity of the [cysS-SO3]• radical was determined to be 4.95 ± 0.10 eV. In combination with theoretical calculations, it was found that the most stable structure of [cysS-SO3]− (S1) is stabilized via three intramolecular hydrogen bonds (HBs); i.e., one O-H……N between the -COOH and -NH2 groups, and two N-H……O HBs between -NH2 and -SO3, in which the amino group serves as both HB acceptor and donor. In addition, a nearly iso-energetic conformer (S2) with the formation of an O-H……N-H……O-S chain-type binding motif competes with S1 in the source. The most reactive site of the molecule susceptible for electrophilic attacks is the linkage S atom. Theoretically predicted infrared spectra indicate that O-H and N-H stretching modes are the fingerprint region (2800 to 3600 cm−1) to distinguish different isomers. The obtained information lays out a foundation to better understand the transformation and structure–reactivity correlation of Cys-SSO3H in biologic settings.

74 ATOMIC AND MOLECULAR PHYSICS↗