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NASA NTRS1991

Component mode damping assignment techniques

A relation between the system modal damping matrix and the component modal damping matrix is derived from First Principles. An optimization problem is then formulated to select all the component modes' damping ratios that best satisfy the above derived relation. A weighting matrix is used in the cost functional to stress the relative importance of the diagonal terms in the damping matrix. Inequality constraints are also added to the optimization problem to pick only nonnegative component modes' damping factors. The optimization problem may be solved algebraically or iteratively. The proposed techniques are successfully used on a high order, finite element model of the Galileo spacecraft.

Lee, Allan Y.↗

NASA NTRS1990

Domain decomposition methods in aerodynamics

Compressible Euler equations are solved for two-dimensional problems by a preconditioned conjugate gradient-like technique. An approximate Riemann solver is used to compute the numerical fluxes to second order accuracy in space. Two ways to achieve parallelism are tested, one which makes use of parallelism inherent in triangular solves and the other which employs domain decomposition techniques. The vectorization/parallelism in triangular solves is realized by the use of a recording technique called wavefront ordering. This process involves the interpretation of the triangular matrix as a directed graph and the analysis of the data dependencies. It is noted that the factorization can also be done in parallel with the wave front ordering. The performances of two ways of partitioning the domain, strips and slabs, are compared. Results on Cray YMP are reported for an inviscid transonic test case. The performances of linear algebra kernels are also reported.

Venkatakrishnan, V.↗

NASA NTRS1999

Radioprotection of Human Cell Nuclear DNA by Polyamines: Radiosensitivity of Chromatin is Influenced by Tightly Bound Spermine

The polyamines putrescine (PUT) and spermine (SPM) were examined for their ability to protect human cell Deoxyribonucleic Acid (DNA) against the formation of radiation-induced double-strand breaks (DSBs). As observed previously, under conditions where polyamines were shown to be almost completely absent, association with nuclear matrix protein into a nucleoid, and organization into chromatin structure, protected DNA from induction of DSBs by factors of 4.5 and 95, respectively. At concentrations below 1 mM, PUT or SPM provided equivalent levels of protection to deproteinized nuclear DNA, consistent with their capacity to scavenge radiation-induced radicals. At constant ionic strength, 5 mM SPM protected deproteinized DNA and nucleoid DNA and DNA in nuclear chromatin by factors of 100 and 26, respectively. At 5 mM, SPM provided 15 times greater protection of deproteinized DNA than did PUT. Under physiologically relevant conditions, 5 mM SPM protected DNA in the intact nucleus from the induction of DSBs by a factor of 2 relative to DNA in the absence of SPM. Studies of SPM binding during cellular fractionation revealed that a significant fraction of the cellular SPM is tightly bound in the nucleus but can be removed by extended washing. Thus the association of SPM with nuclear chromatin appears to be a significant contributor to the resistance of the cell's DNA to the induction of DSBs.

Warters, Raymond L.↗

NASA NTRS2004

Examination of Surface Roughness on Light Scattering by Long Ice Columns by Use of a Two-Dimensional Finite-Difference Time-Domain Algorithm

Natural particles such as ice crystals in cirrus clouds generally are not pristine but have additional micro-roughness on their surfaces. A two-dimensional finite-difference time-domain (FDTD) program with a perfectly matched layer absorbing boundary condition is developed to calculate the effect of surface roughness on light scattering by long ice columns. When we use a spatial cell size of 1/120 incident wavelength for ice circular cylinders with size parameters of 6 and 24 at wavelengths of 0.55 and 10.8 mum, respectively, the errors in the FDTD results in the extinction, scattering, and absorption efficiencies are smaller than similar to 0.5%. The errors in the FDTD results in the asymmetry factor are smaller than similar to 0.05%. The errors in the FDTD results in the phase-matrix elements are smaller than similar to 5%. By adding a pseudorandom change as great as 10% of the radius of a cylinder, we calculate the scattering properties of randomly oriented rough-surfaced ice columns. We conclude that, although the effect of small surface roughness on light scattering is negligible, the scattering phase-matrix elements change significantly for particles with large surface roughness. The roughness on the particle surface can make the conventional phase function smooth. The most significant effect of the surface roughness is the decay of polarization of the scattered light.

Sun, W.↗

NASA NTRS2006

Exploring the Connection Between Sampling Problems in Bayesian Inference and Statistical Mechanics

The Bayesian and statistical mechanical communities often share the same objective in their work - estimating and integrating probability distribution functions (pdfs) describing stochastic systems, models or processes. Frequently, these pdfs are complex functions of random variables exhibiting multiple, well separated local minima. Conventional strategies for sampling such pdfs are inefficient, sometimes leading to an apparent non-ergodic behavior. Several recently developed techniques for handling this problem have been successfully applied in statistical mechanics. In the multicanonical and Wang-Landau Monte Carlo (MC) methods, the correct pdfs are recovered from uniform sampling of the parameter space by iteratively establishing proper weighting factors connecting these distributions. Trivial generalizations allow for sampling from any chosen pdf. The closely related transition matrix method relies on estimating transition probabilities between different states. All these methods proved to generate estimates of pdfs with high statistical accuracy. In another MC technique, parallel tempering, several random walks, each corresponding to a different value of a parameter (e.g. "temperature"), are generated and occasionally exchanged using the Metropolis criterion. This method can be considered as a statistically correct version of simulated annealing. An alternative approach is to represent the set of independent variables as a Hamiltonian system. Considerab!e progress has been made in understanding how to ensure that the system obeys the equipartition theorem or, equivalently, that coupling between the variables is correctly described. Then a host of techniques developed for dynamical systems can be used. Among them, probably the most powerful is the Adaptive Biasing Force method, in which thermodynamic integration and biased sampling are combined to yield very efficient estimates of pdfs. The third class of methods deals with transitions between states described by rate constants. These problems are isomorphic with chemical kinetics problems. Recently, several efficient techniques for this purpose have been developed based on the approach originally proposed by Gillespie. Although the utility of the techniques mentioned above for Bayesian problems has not been determined, further research along these lines is warranted

Pohorille, Andrew↗

DOE OSTI2021

Binning is Sinning (Supernova Version): The Impact of Self-calibration in Cosmological Analyses with Type Ia Supernovae

Recent cosmological analyses (e.g., JLA, Pantheon) of Type Ia supernovae (SNe Ia) have propagated systematic uncertainties into a covariance matrix and either binned or smoothed the systematic uncertainty vectors in redshift space. We demonstrate that systematic error budgets of these analyses can be improved by a factor of ~ 1.5 × with the use of unbinned and unsmoothed covariance matrices. To understand this, we employ a separate approach that simultaneously fits for cosmological parameters and additional self-calibrating scale parameters that constrain the size of each systematic. We show that the covariance-matrix approach and scale-parameter approach indeed yield equivalent results, implying that in both cases the data can self-calibrate certain systematic uncertainties, but that this ability is hindered when information is binned or smoothed in redshift space. We review the top systematic uncertainties in current analyses and find that the reduction of systematic uncertainties in the unbinned case depends on whether a systematic is solely degenerate with the cosmological model in redshift space or whether it can be described by additional correlations between supernova properties and luminosity. Furthermore, we show that the power of self-calibration increases with the size of the data set, which presents a tremendous opportunity for upcoming analyses of photometrically classified samples, like those of Legacy Survey of Space and Time (LSST) and the Nancy Grace Roman Telescope (NGRST). However, to take advantage of self-calibration in large, photometrically classified samples, we must first address the issue that binning is required in currently used photometric analysis methods.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1974

Penny-shaped crack in a fiber-reinforced matrix

Using a slender inclusion model developed earlier, the elastostatic interaction problem between a penny-shaped crack and elastic fibers in an elastic matrix is formulated. For a single set and for multiple sets of fibers oriented perpendicularly to the plane of the crack and distributed symmetrically on concentric circles, the problem was reduced to a system of singular integral equations. Techniques for the regularization and for the numerical solution of the system are outlined. For various fiber geometries numerical examples are given, and distribution of the stress intensity factor along the crack border was obtained. Sample results showing the distribution of the fiber stress and a measure of the fiber-matrix interface shear are also included.

Narayanan, T. V.↗

NASA NTRS1975

Penny-shaped crack in a fiber-reinforced matrix

Using the slender inclusion model developed earlier the elastostatic interaction problem between a penny-shaped crack and elastic fibers in an elastic matrix is formulated. For a single set and for multiple sets of fibers oriented perpendicularly to the plane of the crack and distributed symmetrically on concentric circles the problem is reduced to a system of singular integral equations. Techniques for the regularization and for the numerical solution of the system are outlined. For various fiber geometries numerical examples are given and distribution of the stress intensity factor along the crack border is obtained. Sample results showing the distribution of the fiber stress and a measure of the fiber-matrix interface shear are also included.

Narayanan, T. V.↗

NASA NTRS1988

A test for interfacial effects and stress transfer in ceramic matrix composites

The efforts to fabricate single embedded filament specimens of carbon and SiC fibers were unsuccessful largely due to the thermal stresses resulting from differences in thermal coefficient of expansion. Other factors appear to have been involved including embrittlement of the metal substrate by the H2 gas in the chemical vapor deposition flow stream and reaction layers formed between the silicon carbide and the metal substrate. The carbon fiber may have been attacked by the CVD reactant. It is concluded that these differential stresses are so large as to make the embedded fiber test impractical for the study of interphase effects and stress transfer in fiber ceramic matrix systems.

Bascom, Willard D.↗

NASA NTRS1988

Interfaces in polymer, ceramic, and metal matrix composites; Proceedings of the Second International Conference on Composite Interfaces (ICCI-II), Cleveland, OH, June 13-17, 1988

The present conference on interfacial factors in advanced composite materials discusses such topics in their development status and properties as silane coupling, the electrochemical and plasma-surface treatment of carbon fibers, fiber surface-analytical techniques, polymer molecular scale characterization by atom-probe field-ion microscopy, the study of carbon fiber-epoxy resin interface interactions by means of labeling techniques, and the surface tailoring of SiC by ion implantation. Also discussed are developments in laser light-scattered photoelasticity, microstructural evolutions under heat treatment and radiation damage, TEM for composites, the interfaces of carbon fiber-reinforced Al composites, the influence of the interface on macroscopic composite properties, and the status of the theoretical understanding of composite interfaces.

Ishida, Hatsuo↗

NASA NTRS2021

Polarimetric sensitivity of light-absorbing carbonaceous aerosols over ocean: A theoretical assessment

Visible-light-absorbing carbonaceous aerosols within the boundary layer affect the radiance and polarization states of the radiation at the top of the atmosphere. Remote sensing from suborbital and satellite-based platforms utilizes these radiance and polarization signals to retrieve the key properties of these aerosols. Recent retrieval algorithms have shown a progressive trend toward including multi-angular and multi-spectral polarimetric measurements to produce better retrieval accuracy in comparison to those using measurements based on a single viewing angle. Here, we perform a theoretical investigation of the top of atmosphere (TOA) radiance-related reflectance factor (bidirectional reflectance factor (BRF)) and the two types of polarimetry-related factors (polarized bidirectional reflectance factor (pBRF) and the degree of linear polarization (DoLP)) for different types of atmospheric light-absorbing carbonaceous aerosols as a function of particle size distribution. We selected three polarimetric bands corresponding to those utilized by NASA's Airborne Multiangle SpectroPolarimetric Imager (AirMSPI)—near-UV (470 nm), visible (660 nm), and near-infrared (865 nm)—for our simulations which were performed over ocean surface using the successive order of scattering (SOS) algorithm coupled to a Lorenz-Mie aerosol optics model. The analysis of particle phase matrix elements indicates a close relationship between the angular dependencies of DoLP and associated phase matrix components at the shortest polarimetric band (470 nm). Using Jacobian analysis, we find that the radiance- and polarimetry-related reflectance factors of weakly light-absorbing aerosols, such as brown carbon, are more sensitive to changes in particle size and imaginary refractive index in comparison with those of black carbon, which is strongly light-absorbing. Our results suggest that the DoLP data could be used by future retrieval algorithms for reliably estimating microphysical properties of absorbing carbonaceous aerosols with imaginary refractive index less than 0.4.

refractive index↗

NASA NTRS2013

Copper-Multiwall Carbon Nanotubes and Copper-Diamond Composites for Advanced Rocket Engines

This paper reports on the research effort to improve the thermal conductivity of the copper-based alloy NARloy-Z (Cu-3 wt.%Ag-0.5 wt.% Zr), the state-of-the-art alloy used to make combustion chamber liners in regeneratively-cooled liquid rocket engines, using nanotechnology. The approach was to embed high thermal conductivity multiwall carbon nanotubes (MWCNTs) and diamond (D) particles in the NARloy-Z matrix using powder metallurgy techniques. The thermal conductivity of MWCNTs and D have been reported to be 5 to 10 times that of NARloy-Z. Hence, 10 to 20 vol. % MWCNT finely dispersed in NARloy-Z matrix could nearly double the thermal conductivity, provided there is a good thermal bond between MWCNTs and copper matrix. Quantum mechanics-based modeling showed that zirconium (Zr) in NARloy-Z should form ZrC at the MWCNT-Cu interface and provide a good thermal bond. In this study, NARloy-Z powder was blended with MWCNTs in a ball mill, and the resulting mixture was consolidated under high pressure and temperature using Field Assisted Sintering Technology (FAST). Microstructural analysis showed that the MWCNTs, which were provided as tangles of MWCNTs by the manufacturer, did not detangle well during blending and formed clumps at the prior particle boundaries. The composites made form these powders showed lower thermal conductivity than the base NARloy-Z. To eliminate the observed physical agglomeration, tangled multiwall MWCNTs were separated by acid treatment and electroless plated with a thin layer of chromium to keep them separated during further processing. Separately, the thermal conductivities of MWCNTs used in this work were measured, and the results showed very low values, a major factor in the low thermal conductivity of the composite. On the other hand, D particles embedded in NARloy-Z matrix showed much improved thermal conductivity. Elemental analysis showed migration of Zr to the NARloy-Z-D interface to form ZrC, which appeared to provide a low contact thermal resistance. These results are consistent with the quantum mechanics-based model predictions. NARloy-Z-D composites have relatively high thermal conductivities and are promising for further development.

Bhat, Biliyar N.↗

NASA NTRS2013

Copper Multiwall Carbon Nanotubes and Copper-Diamond Composites for Advanced Rocket Engines

Bhat, Biliyar N.↗

NASA NTRS1985

A fast efficient implicit scheme for the gasdynamic equations using a matrix reduction technique

An efficient implicit finite-difference algorithm for the gasdynamic equations utilizing matrix reduction techniques is presented. A significant reduction in arithmetic operations is achieved without loss of the stability characteristics generality found in the Beam and Warming approximate factorization algorithm. Steady-state solutions to the conservative Euler equations in generalized coordinates are obtained for transonic flows and used to show that the method offers computational advantages over the conventional Beam and Warming scheme. Existing Beam and Warming codes can be retrofit with minimal effort. The theoretical extension of the matrix reduction technique to the full Navier-Stokes equations in Cartesian coordinates is presented in detail. Linear stability, using a Fourier stability analysis, is demonstrated and discussed for the one-dimensional Euler equations.

Barth, T. J.↗

DOE OSTI2025

Structure and Sulfur: Tuning the Viscoelastic and Surface Properties of Natural Keratin Fibers

Natural keratin fibers, such as wool, possess a complex hierarchical structure that governs their mechanical properties and surface energy. However, the extent to which these characteristics are influenced by combined contributions of structural variations (e.g., fiber diameter, intermediate filament (IF) packing) and chemical composition (e.g., disulfide bond density) remains poorly understood. In this study, we investigate wool fibers from five sheep breeds (Merino, Polwarth, Cheviot, Eider, and Devon) to elucidate how these factors influence viscoelasticity and surface interactions. Using a multimodal approach integrating interfacial and bulk characterization methods, including inverse gas chromatography (IGC), atomic force microscopy-infrared spectroscopy (AFM-IR), X-ray photoelectron spectroscopy (XPS), uniaxial tensile testing, and synchrotron small-angle X-ray scattering (SAXS), we show that the nanometer-thick 18-methyleicosanoic acid (18-MEA) layer is consistently present across all wool types and plays a key role in governing hydrophobicity and surface heterogeneity. A controlled isothermal treatment at 200 °C, designed to cleave disulfide bonds, results in a nearly 40% reduction in specific surface area across all fiber types, accompanied by a significant decrease in tensile strength and 80% reduction in elongation at break for Merino and Devon wool, but limited influence on the mechanical properties of Eider fibers. Furthermore, rate-dependent tensile testing within the elastic regime reveals distinct viscoelastic responses among the fiber types, suggesting that the sulfur-rich protein matrix surrounding IFs and its structure contribute actively to stress partitioning. Altogether, when combined with conclusions from SAXS measurements of IF spacing, our work offers compelling insights into the role of the keratin-associated protein (KAP) matrix in shaping wool fiber mechanics. Differences in mechanical behavior among wool types, despite similar IF spacing or sulfur content, highlight the importance of matrix composition and cross-linking density, suggesting that the molecular architecture of the KAP network may be a dominant factor in determining fiber performance.

X-ray scattering↗

DOE OSTI2021

Activated penetrant dynamics in glass forming liquids: size effects, decoupling, slaving, collective elasticity and correlation with matrix compressibility

In this work, we employ the microscopic self-consistent cooperative hopping theory of penetrant activated dynamics in glass forming viscous liquids and colloidal suspensions to address new questions over a wide range of high matrix packing fractions and penetrant-to-matrix particle size ratios. The focus is on the mean activated relaxation time of smaller tracers in a hard sphere fluid of larger particle matrices. This quantity also determines the penetrant diffusion constant and connects directly with the structural relaxation time probed in an incoherent dynamic structure factor measurement. The timescale of the non-activated fast dissipative process is also studied and is predicted to follow power laws with the contact value of the penetrant–matrix pair correlation function and the penetrant–matrix size ratio. For long time penetrant relaxation, in the relatively lower packing fraction metastable regime the local cage barriers are dominant and matrix collective elasticity effects unimportant. As packing fraction and/or penetrant size grows, much higher barriers emerge and the collective elasticity associated with the correlated matrix dynamic displacement that facilitates penetrant hopping becomes important. This results in a non-monotonic variation with packing fraction of the degree of decoupling between the matrix and penetrant alpha relaxation times. The conditions required for penetrant hopping to become slaved to the matrix alpha process are determined, which depend mainly on the penetrant to matrix particle size ratio. By analyzing the absolute and relative importance of the cage and elastic barriers we establish a mechanistic understanding of the origin of the predicted exponential growth of the penetrant hopping time with size ratio predicted at very high packing fractions. A dynamics-thermodynamics power law connection between the penetrant activation barrier and the matrix dimensionless compressibility is established as a prediction of theory, with different scaling exponents depending on whether matrix collective elasticity effects are important. Quantitative comparisons with simulations of the penetrant relaxation time, diffusion constant, and transient localization length of tracers in dense colloidal suspensions and cold viscous liquids reveal good agreements. Multiple new predictions are made that are testable via future experiments and simulations. Extension of the theoretical approach to more complex systems of high experimental interest (nonspherical molecules, semiflexible polymers, crosslinked networks) interacting via variable hard or soft repulsions and/or short range attractions is possible, including under external deformation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1982

Micromechanical predictions of crack initiation, propagation and crack growth resistance in boron/aluminum composites

An elastoplastic, axisymmetric finite element model has been used to predict the initiation and propagation of a crack in a composite model consisting of a single broken boron fiber embedded in an annular sheath of aluminum matrix. The accuracy of the axisymmetric finite element model for crack problems has been established by solving the classical problem of a penny-shaped crack in a thick cylindrical rod under axial tension. Also, the stress intensity factors predicted by the present numerical model are compared with continuum results. A constant displacement boundary condition applied during an increment of crack growth permits a substantial amount of stable crack growth in the matrix material. The concept of Crack Growth Resistance Curves (KR-curves) has been used to determine the point of crack instability

Mahishi, J. M.↗

DOE OSTI2020

Low-energy physics of isotropic spin-1 chains in the critical and Haldane phases

Using a matrix product state algorithm with infinite boundary conditions, we compute high-resolution dynamic spin and quadrupolar structure factors in the thermodynamic limit to explore the low-energy excitations of isotropic bilinear-biquadratic spin-1 chains. Haldane mapped the spin-1 Heisenberg antiferromagnet to a continuum field theory, the nonlinear sigma model (NLσM). In this work, we find that the NLσM fails to capture the influence of the biquadratic term and provides only an unsatisfactory description of the Haldane phase physics. But several features in the Haldane phase can be explained by noninteracting multimagnon states. The physics at the Uimin-Lai-Sutherland point is characterized by multisoliton continua. Moving into the extended critical phase, we find that these excitation continua contract, which we explain using a field-theoretic description. New excitations emerge at higher energies and, in the vicinity of the purely biquadratic point, they show simple cosine dispersions. Using block fidelities, we identify them as elementary one-particle excitations and relate them to the integrable Temperley-Lieb chain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗