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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

A computer aided thermodynamic approach for predicting the formation of Z-DNA in naturally occurring sequences

The ease with which a particular DNA segment adopts the left-handed Z-conformation depends largely on the sequence and on the degree of negative supercoiling to which it is subjected. We describe a computer program (Z-hunt) that is designed to search long sequences of naturally occurring DNA and retrieve those nucleotide combinations of up to 24 bp in length which show a strong propensity for Z-DNA formation. Incorporated into Z-hunt is a statistical mechanical model based on empirically determined energetic parameters for the B to Z transition accumulated to date. The Z-forming potential of a sequence is assessed by ranking its behavior as a function of negative superhelicity relative to the behavior of similar sized randomly generated nucleotide sequences assembled from over 80,000 combinations. The program makes it possible to compare directly the Z-forming potential of sequences with different base compositions and different sequence lengths. Using Z-hunt, we have analyzed the DNA sequences of the bacteriophage phi X174, plasmid pBR322, the animal virus SV40 and the replicative form of the eukaryotic adenovirus-2. The results are compared with those previously obtained by others from experiments designed to locate Z-DNA forming regions in these sequences using probes which show specificity for the left-handed DNA conformation.

Non-NASA Center↗
DOE OSTI2026

Capturing the fractocohesive length scale in elastomers through a statistical mechanics-based gradient enhanced damage model

Here, this study aims to examine modeling flaw sensitivity in elastomers. The direct incorporation of polymer chain statistical mechanics considerations into a continuum stretch-based gradient-enhanced damage formulation, in turn, allows a representation of diffuse chain damage and fracture events that align with known micromechanical mechanisms. Through a series of numerical experiments, we simulate crack propagation and extract the fracture energy as an output of the model, while keeping track of the micromechanical signatures of diffuse chain damage that accommodate fracture propagation and eventually influence flaw sensitivity. Finally, by combining the fracture toughness and the work to rupture, we identify a fractocohesive length of the material, corresponding to the full width of the damage process zone. As the damage-to-fracture cascade in the proposed GED model is influenced by the introduction of a length scale associated with network imperfection and long-range load transfer, the emerging relationship of the two length scales is discussed, providing a potential link between microscopic damage mechanisms and the observed macroscopic fracture response.

36 MATERIALS SCIENCE↗
NASA NTRS2020

Bayesian Statistical Models for Community Annoyance Survey Data

This paper demonstrates the use of two Bayesian statistical models to analyze single-event sonic boom exposure and human annoyance data from community response surveys. Each model is fit to data from a NASA pilot study.Unlike many community noise surveys, this study used a panel sample to collect multiple observations per participant instead of a single observation. Thus, a multilevel (also known as hierarchical or mixed-effects) model is used to account for the within-subject correlation in the panel sample data. This paper describes a multilevel logistic regression model and a multilevel ordinal regression model. The paper also proposes a method for calculating a summary dose-response curve from the multilevel models that represents the population. The two models’ summary dose-response curves are visually similar. However, their estimates differ when calculating the noise dose at a fixed percent highly annoyed.

Musical instruments↗
NASA NTRS1989

A review of failure models for unidirectional ceramic matrix composites under monotonic loads

Ceramic matrix composites offer significant potential for improving the performance of turbine engines. In order to achieve their potential, however, improvements in design methodology are needed. In the past most components using structural ceramic matrix composites were designed by trial and error since the emphasis of feasibility demonstration minimized the development of mathematical models. To understand the key parameters controlling response and the mechanics of failure, the development of structural failure models is required. A review of short term failure models with potential for ceramic matrix composite laminates under monotonic loads is presented. Phenomenological, semi-empirical, shear-lag, fracture mechanics, damage mechanics, and statistical models for the fast fracture analysis of continuous fiber unidirectional ceramic matrix composites under monotonic loads are surveyed.

Tripp, David E.↗
NASA NTRS1989

A review of failure models for ceramic matrix composite laminates under monotonic loads

Ceramic matrix composites offer significant potential for improving the performance of turbine engines. In order to achieve their potential, however, improvements in design methodology are needed. In the past most components using structural ceramic matrix composites were designed by trial and error since the emphasis of feasibility demonstration minimized the development of mathematical models. To understand the key parameters controlling response and the mechanics of failure, the development of structural failure models is required. A review of short term failure models with potential for ceramic matrix composite laminates under monotonic loads is presented. Phenomenological, semi-empirical, shear-lag, fracture mechanics, damage mechanics, and statistical models for the fast fracture analysis of continuous fiber unidirectional ceramic matrix composites under monotonic loads are surveyed.

Tripp, David E.↗
DOE OSTI2026

Optimizing time integration for accurate recovery of shockwave interface location in radiography

We present simulations and experiments of time integrated radiographic imaging of a moving 1D shock wave front and a quantitative method for determining the statistical error in locating the shock front as a function of integration time and noise in the radiograph. We discuss the trade-off between increasing motion blur, which leads to decreased shock front location certainty, and increasing signal-to-noise, which leads to improved image quality with increasing integration time. We find an optimum integration time between a short integration time, where noise limits the error, and a long integration time, where motion blurring limits the error. This methodology can be used to tune experimental configurations to obtain the highest quality radiograph for a given experimental configuration.

Bremsstrahlung↗
NASA NTRS1994

Damage Mechanisms and Controlled Crack Propagation in a Hot Pressed Silicon Nitride Ceramic

The subcritical growth of cracks from pre-existing flaws in ceramics can severely affect the structural reliability of a material. The ability to directly observe subcritical crack growth and rigorously analyze its influence on fracture behavior is important for an accurate assessment of material performance. A Mode I fracture specimen and loading method has been developed which permits the observation of stable, subcritical crack extension in monolithic and toughened ceramics. The test specimen and procedure has demonstrated its ability to generate and stably propagate sharp, through-thickness cracks in brittle high modulus materials. Crack growth for an aluminum oxide ceramic was observed to be continuously stable throughout testing. Conversely, the fracture behavior of a silicon nitride ceramic exhibited crack growth as a series of subcritical extensions which are interrupted by dynamic propagation. Dynamic initiation and arrest fracture resistance measurements for the silicon nitride averaged 67 and 48 J/sq m, respectively. The dynamic initiation event was observed to be sudden and explosive. Increments of subcritical crack growth contributed to a 40 percent increase in fracture resistance before dynamic initiation. Subcritical crack growth visibly marked the fracture surface with an increase in surface roughness. Increments of subcritical crack growth loosen ceramic material near the fracture surface and the fracture debris is easily removed by a replication technique. Fracture debris is viewed as evidence that both crack bridging and subsurface microcracking may be some of the mechanisms contributing to the increase in fracture resistance. A Statistical Fracture Mechanics model specifically developed to address subcritical crack growth and fracture reliability is used together with a damaged zone of material at the crack tip to model experimental results. A Monte Carlo simulation of the actual experiments was used to establish a set of modeling input parameters. It was demonstrated that a single critical parameter does not characterize the conditions required for dynamic initiation. Experimental measurements for critical crack lengths, and the energy release rates exhibit significant scatter. The resulting output of the model produces good agreement with both the average values and scatter of experimental measurements.

Calomino, Anthony Martin↗
NASA NTRS1996

There aren't Non-Standard Solutions for the Braid Group Representations of the QYBE Associated with 10-D Representations of SU(4)

It is well known that the quantum Yang-Baxter equations (QYBE) play an important role in various theoretical and mathematical physics, such as completely integrable system in (1 + 1)-dimensions, exactly solvable models in statistical mechanics, the quantum inverse scattering method and the conformal field theories in 2-dimensions. Recently, much remarkable progress has been made in constructing the solutions of the QYBE associated with the representations of lie algebras. It is shown that for some cases except the standard solutions, there also exist new solutions, but the others have not non-standard solutions. In this paper by employing the weight conservation and the diagrammatic techniques we show that the solution associated with the 10-D representations of SU (4) are standard alone.

Yijun, Huang↗
NASA NTRS2000

Scale-Invariant Forms of Conservation Equations in Reactive Fields and a Modified Hydro-Thermo-Diffusive Theory of Laminar Flames

A scale-invariant model of statistical mechanics is applied to present invariant forms of mass, energy, linear, and angular momentum conservation equations in reactive fields. The resulting conservation equations at molecular-dynamic scale are solved by the method of large activation energy asymptotics to describe the hydro-thermo-diffusive structure of laminar premixed flames. The predicted temperature and velocity profiles are in agreement with the observations. Also, with realistic physico-chemical properties and chemical-kinetic parameters for a single-step overall combustion of stoichiometric methane-air premixed flame, the laminar flame propagation velocity of 42.1 cm/s is calculated in agreement with the experimental value.

Sohrab, Siavash H.↗
NASA NTRSDate not supplied

Colloids in Microgravity

Colloidal particles are important in a broad range of applications in technology and materials processing. Due to high sensitivity to thermal fluctuations, a suspension of colloidal particles is considered as an assembly of super-atoms in condensed matter physics. This feature provides an excellent experimental model in statistical mechanics for fundamental studies of microstructural evolution and phase transformation at the individual particle level. However, using colloids to probe three-dimensional phase transitions on Earth remains a challenge as they can be influenced by the gravity force causing the particles to sediment and the solvent to flow. To suppress the undesirable gravity effects, experiments on concentrated colloids were carried out in the International Space Station (ISS) Light Microscopy Module. We will present results of these experiments.

Colloids↗
NASA NTRS2010

Coherent Eigenmodes in Homogeneous MHD Turbulence

The statistical mechanics of Fourier models of ideal, homogeneous, incompressible magnetohydrodynamic (MHD) turbulence is discussed, along with their relevance for dissipative magnetofluids. Although statistical theory predicts that Fourier coefficients of fluid velocity and magnetic field are zero-mean random variables, numerical simulations clearly show that certain coefficients have a non-zero mean value that can be very large compared to the associated standard deviation, i.e., we have coherent structure. We use eigenanalysis of the modal covariance matrices in the probability density function to explain this phenomena in terms of `broken ergodicity', which is defined to occur when dynamical behavior does not match ensemble predictions on very long time-scales. We provide examples from 2-D and 3-D magnetohydrodynamic simulations of homogeneous turbulence, and show new results from long-time simulations of MHD turbulence with and without a mean magnetic field

Shebalin, John V.↗
NASA NTRS2010

Broken Ergodicity in Ideal, Homogeneous, Incompressible Turbulence

We discuss the statistical mechanics of numerical models of ideal homogeneous, incompressible turbulence and their relevance for dissipative fluids and magnetofluids. These numerical models are based on Fourier series and the relevant statistical theory predicts that Fourier coefficients of fluid velocity and magnetic fields (if present) are zero-mean random variables. However, numerical simulations clearly show that certain coefficients have a non-zero mean value that can be very large compared to the associated standard deviation. We explain this phenomena in terms of broken ergodicity', which is defined to occur when dynamical behavior does not match ensemble predictions on very long time-scales. We review the theoretical basis of broken ergodicity, apply it to 2-D and 3-D fluid and magnetohydrodynamic simulations of homogeneous turbulence, and show new results from simulations using GPU (graphical processing unit) computers.

Morin, Lee↗
NASA NTRS2018

Solar Wind Implantation into Lunar Regolith II: Monte Carlo Simulations of Hydrogen Retention in a Surface with Defects and the Hydrogen (H, H2) Exosphere

Recently, the near-infrared observations of the OH veneer on the lunar surface by the Moon Mineralogy Mapper (M3) have been refined to constrain the OH content to 500-750 parts per million (ppm). The observations indicate diurnal variations in OH up to 200 ppm possibly linked to warmer surface temperatures at low latitude. We examine the M3 observations using a statistical mechanics approach to model the diffusion of implanted H in the lunar regolith. We present results from Monte Carlo simulations of the diffusion of implanted solar wind H atoms and the subsequently derived H and H2 exospheres.

Exosphere↗
NASA NTRS1989

Evolution of cosmic string networks

A discussion of the evolution and observable consequences of a network of cosmic strings is given. A simple model for the evolution of the string network is presented, and related to the statistical mechanics of string networks. The model predicts the long string density throughout the history of the universe from a single parameter, which researchers calculate in radiation era simulations. The statistical mechanics arguments indicate a particular thermal form for the spectrum of loops chopped off the network. Detailed numerical simulations of string networks in expanding backgrounds are performed to test the model. Consequences for large scale structure, the microwave and gravity wave backgrounds, nucleosynthesis and gravitational lensing are calculated.

Albrecht, Andreas↗
NASA NTRS1976

Statistical mechanics of light elements at high pressure. IV - A model free energy for the metallic phase

A large quantity of data on the thermodynamic properties of hydrogen-helium metallic liquids have been obtained in extended computer calculations in which a Monte Carlo code essentially identical to that described by Hubbard (1972) was used. A model free energy for metallic hydrogen with a relatively small mass fraction of helium is discussed, taking into account the definition of variables, a procedure for choosing the free energy, values for the fitting parameters, and the evaluation of the entropy constants. Possibilities concerning a use of the obtained data in studies of the interiors of the outer planets are briefly considered.

Dewitt, H. E.↗
NASA NTRS1991

Evaluation of some scale effects in the response and failure of composite beams

The feasibility of using scale model testing for predicting full-scale behavior of composite beams loaded in tension and flexure was investigated. Classical laws of similitude were applied to fabricate and test replica model beams to identify scaling effects in the load response, strength, and mode of failure. Experiments were conducted using graphite-epoxy composite beams having different laminate stacking sequences and a range of scaled sizes. Results indicated that the elastic response of scaled composite beams was independent of specimen size. However, a significant scale effect in strength was observed. In addition, a transition in failure mode was observed among scaled beams of certain laminate stacking sequences. Weibull statistical and fracture mechanics based models were applied to predict the strength scale effect since standard failure criteria cannot account for the influence of absolute specimen size in failure.

Jackson, Karen E.↗
DOE OSTI2025

Water under hydrophobic confinement: entropy and diffusion

The properties of liquid water are known to change drastically in confined geometries. A most interesting and intriguing phenomenon is that the diffusion of water is found to be strongly enhanced by the proximity of a hydrophobic confining wall relative to the bulk diffusion. We report a molecular dynamics simulation using a classical water model investigating the water diffusion near a non-interacting smooth confining wall, which is assumed to imitate a hydrophobic surface, revealing a pronounced diffusion enhancement within several water layers adjacent to the wall. We present evidence that the observed diffusion enhancement can be accounted for, with a quantitative accuracy, using the universal scaling law for liquid diffusion that relates the diffusion rate to the excess entropy. These results show that the scaling law, which has so far only been used for the description of the diffusion in simple liquids, can successfully describe the diffusion in water. It is shown that the law can be used for the analysis of water dynamics under nanoscale hydrophobic confinement, which is currently a subject of intense research activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗