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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Discovery of unconventional and nonintuitive self-assembling peptide materials using experiment-driven machine learning

Prediction of peptide secondary structure is challenging because of complex molecular interactions, sequence-specific behavior, and environmental factors. Traditional design strategies, based on hydrophobicity and structural propensity, can be biased and could indeed prevent discovery of interesting, diverse, and unconventional peptides with desired nanostructure assembly. Using β sheet formation in pentapeptides as a case study, we used an integrated high-throughput experimental workflow and an artificial intelligence–driven active learning framework to improve prediction accuracy of self-assembly. By focusing on sequences where machine learning (ML) predictions deviate from conventional design strategies, we synthesized and tested 268 pentapeptides, successfully finding 96 forming β sheet assemblies, including unconventional sequences (e.g., ILFSM, LMISI, MITIY, MISIW, and WKIYI) not predicted by traditional methods. Our ML models outperformed conventional β sheet propensity tables, revealing useful chemical design rules. A web interface is provided to facilitate community access to these models. This work highlights the value of ML-driven approaches in overcoming the limitations of current peptide design strategies.

Talluri, Y. Nissi [Indian Inst. of Technology (IIT↗
DOE OSTI2021

Science and Engineering of Cybersecurity by Uncertainty quantification and Rigorous Experimentation (SECURE) (Final Report)

This report summarizes the activities performed as part of the Science and Engineering of Cybersecurity by Uncertainty quantification and Rigorous Experimentation (SECURE) Grand Challenge LDRD project. We provide an overview of the research done in this project, including work on cyber emulation, uncertainty quantification, and optimization. We present examples of integrated analyses performed on two case studies: a network scanning/detection study and a malware command and control study. We highlight the importance of experimental workflows and list references of papers and presentations developed under this project. We outline lessons learned and suggestions for future work.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Assessment Approach to Advanced Fuel Models

This document constitutes completion of the NEAMS milestone M3MS-21IN0201016, which is titled: Assessment of advanced fuel improvements. In this report we present: (1) simulations of separate effects creep tests for uranium alloy and HT-9; (2) examples of standardizing and updating metallic fuel assessments to include the latest models and key output figures of merit, which is coordinated with LANL to better evaluate advanced models; (3) examples of how the FIPD database at ANL is integrated into metallic fuel assessment cases; and finally (4) documentation of fuel-specific figures of merit and the BISON review process for assessments with best practices for preparing and reviewing finite element simulations in the appendix.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1975

The inclusion problem with a crack crossing the boundary

A solution is given to the problems of a crack in an elastic inclusion with one or both ends approaching and terminating at the interface, of two collinear cracks (one in the inclusion and one in the matrix), and of a crack crossing the interface. The problems are formulated in terms of a system of singular integral equations. In the second case, the dominant parts of the kernels become generalized Cauchy kernels giving rise to stress singularities of powers other than one over the square root. For this case stress intensity factors are defined and some detailed results are presented for various crack-inclusion geometries and material combinations.

Erdogan, F.↗
NASA NTRS1976

The problem of internal and edge cracks in an orthotropic strip

The plane elastostatic problem of internal and edge cracks in an infinite orthotropic strip is considered. The problems for the material types 1 and 2 are formulated in terms of singular integral equations. For the symmetric case the stress intensity factors are calculated and are compared with the isotropic results. The results show that because of the dependence of the Fredholm kernels on the elastic constants, unlike the crack problem for an infinite plane, in the strip the stress intensity factors are dependent on the elastic constants and are generally different than the corresponding isotropic results.

Delale, F.↗
NASA NTRS1977

The problem of internal and edge cracks in an orthotropic strip

The plane elastostatic problem of internal and edge cracks in an infinite orthotropic strip is considered. The problems for the material types I and II are formulated in terms of singular integral equations. For the symmetric case the stress intensity factors are calculated and are compared with the isotropic results. The results show that because of the dependence of the Fredholm kernels on the elastic constants, unlike the crack problem for an infinite plane, in the strip the stress intensity factors are dependent on the elastic constants and are generally different from the corresponding isotropic results.

Delale, F.↗
NASA NTRS1977

The problem of internal and edge cracks in an orthotropic strip

The plane elastostatic problem of internal and edge cracks in an infinite orthotropic strip is considered. The problems for the material types I and II are formulated in terms of singular integral equations. For the symmetric case the stress-intensity factors are calculated and are compared with the isotropic results. The results show that because of the dependence of the Fredholm kernels on the elastic constants in the strip (unlike the crack problem for an infinite plane) the stress-intensity factors are dependent on the elastic constants and are generally different from the corresponding isotropic results

Delale, F.↗
NASA NTRS1979

A cracked beam or plate transversely loaded by a stamp

In this paper the problem of an infinite elastic beam or a plate containing a crack is considered. The medium is loaded transversely through a stamp which may be rigid or elastic. The problem is a coupled crack-contact problem which cannot be solved by treating the crack and contact problems separately and by using a superposition technique. First the Green's functions for the general case are obtained. Then the integral equations for a cracked infinite strip loaded by a frictionless stamp are obtained. With the question of fracture in mind, the primary interest in the paper has been in calculating the stress intensity factors. The results are given for a rigid flat stamp with sharp edges and for an elastic curved stamp. The effect of friction at the supports on the stress intensity factors is also studied and a numerical example is given.

Nied, H. F.↗
NASA NTRS1981

Radiative transfer in the surfaces of atmosphereless bodies. I - Theory. II - Interpretation of phase curves

A generalized theory of radiative transfer is presented which includes single and multiple scattering of light in particulate surfaces, and is applicable to both the surfaces of atmosphereless bodies and to laboratory samples. Single scattering is described in terms of the effects of porosity and roughness, and is formulated by means of a probabilistic method. It is shown that, for low-albedo surfaces, the effects of porosity and roughness are separable, the opposition effect is caused by the former, and the slope of the linear part of the phase curve is mainly controlled by the latter. The theory, which is applicable to all albedos and phase angles, may be used in both surface brightness and integrated brightness studies. The limiting case of roughness and volume density tending to zero yields the results of classical radiative transfer theory.

Lumme, K.↗
NASA NTRS1987

Mesoscale density variability in the mesosphere and thermosphere: Effects of vertical flow accelerations

A mechanistic one dimensional numerical (iteration) model was developed which can be used to simulate specific types of mesoscale atmospheric density (and pressure) variability in the mesosphere and the thermosphere, namely those due to waves and those due to vertical flow accelerations. The model was developed with the idea that it could be used as a supplement to the TGCMs (thermospheric general circulation models) since such models have a very limited ability to model phenomena on small spatial scales. The simplest case to consider was the integration upward through a time averaged, height independent, horizontally divergent flow field. Vertical winds were initialized at the lower boundary using the Ekman pumping theory over flat terrain. The results of the computations are summarized.

Revelle, D. O.↗
NASA NTRS1987

Stochasticity in numerical solutions of the nonlinear Schroedinger equation

The cubically nonlinear Schroedinger equation is an important model of nonlinear phenomena in fluids and plasmas. Numerical solutions in a spatially periodic system commonly involve truncation to a finite number of Fourier modes. These solutions are found to be stochastic in the sense that the largest Liapunov exponent is positive. As the number of modes is increased, the size of this exponent appears to converge to zero, in agreement with the recent demonstration of the integrability of the spatially periodic case.

Shen, Mei-Mei↗
NASA NTRS1988

The constitutive representation of high-temperature creep damage

The elastic-viscoplastic constitutive equations of Bodner-Partom were applied to modeling creep damage in a high temperature Ni-alloy, B1900 + Hf. Both tertiary creep in bulk materials and creep crack growth in flawed materials were considered. In the latter case, the energy rate line integral was used for characterizing the crack driving force, and the rate of crack extension was computed using a local damage formulation that assumed fracture was controlled by cavitation occurring within the crack-tip process zone. The results of this investigation were used to assess the evolution equation for isotropic damage utilized in the Bodner-Partom constitutive equations.

Chan, K. S.↗
NASA NTRS1990

Numerical derivative techniques for trajectory optimization

The adoption of robust numerical optimization techniques in trajectory simulation programs has resulted in powerful design and analysis tools. These trajectory simulation/optimization programs are widely used, and a representative list includes the GTS system, the POST program, and newer collocation methods such as OTIS and FONPAC. All of these programs rely on optimization algorithms which require objective function and constraint gradient data during the iteration process. However, most trajectory optimization problems lack simple analytical expressions for these derivatives. In the general case a function evaluation involves integrating aerodynamic, propulsive, and gravity forces over multiple trajectory phases with complex control models. With the newer collocation methods, the integration is replaced by defect constraints and cubic approximations for the state. While analytic gradient expressions can sometimes be derived for trajectory optimization problems, the derivation is cumbersome, time consuming, and prone to mistakes. Fortunately, an alternate method exists for the gradient evaluation, namely finite difference approximations. In this paper some finite difference gradient techniques developed for use with the GTS system are presented. These techniques include methods for computing first and second partial derivatives of single and multiple sets of functions. A key feature of these methods is an error control mechanism which automatically adjusts the perturbation size to obtain accurate derivative values.

Hallman, Wayne P.↗
NASA NTRS1993

The Clementine instrument complement

The recent successes of the Galileo solid-state imaging (SSI) experiment at the Moon and Gaspra show the utility of multispectral imaging of planetary objects. 'Clementine' is the planetary community's 'code name' for the SDIO (Space Defense Initiative Organization), mission to the Moon and the asteroid Geographos. This mission is designed as a long term stressing test on sensors and space systems developed for SDIO. In the course of this test Clementine will obtain science data using a varied and powerful array of remote sensing instruments which were developed by or for Lawrence Livermore National Laboratory in Livermore, California. Clementine carries five cameras, one for navigation and four for science experiments. In addition, a laser ranger is included which will serve as a laser altimeter. The Clementine cameras cover a wider range of spatial resolutions and wavelength range than did Galileo and are almost ideally suited to mapping of mafic rock types as are present on the Moon and expected at Geographos. Calibration of the cameras will occur at the sensor calibration laboratory at LLNL. In flight calibrations, using standard stars and other standards should improve the stated accuracies. Signal-to-noise ratios (SNRs) include the following noise sources: shot noise, calibration error, digitization noise, readout noise, and frame transfer noise (where applicable). The achieved SNRs are a balance between detector saturation and acceptable image smear. The 'worst' case uses the longest possible integration times.

Lucey, Paul G.↗
NASA NTRS1994

Telecommuting (Work-At-Home) at NASA Lewis Research Center

This report presents a study in evaluating the viability of providing a work-at-home (telecommuting) program for Lewis Research Center's corporate employees using Integrated Services Digital Network (ISDN). Case studies have been presented for a range of applications from casual data access to interactive access. The network performance of telemedia applications were studied against future requirements for such level of remote connectivity. Many of the popular ISDN devices were characterized for network and service functionality. A set of recommendations to develop a telecommuting policy have been proposed.

Srinidhi, Saragur M.↗
NASA NTRS1997

Quadrature, Interpolation and Observability

Methods of interpolation and quadrature have been used for over 300 years. Improvements in the techniques have been made by many, most notably by Gauss, whose technique applied to polynomials is referred to as Gaussian Quadrature. Stieltjes extended Gauss's method to certain non-polynomial functions as early as 1884. Conditions that guarantee the existence of quadrature formulas for certain collections of functions were studied by Tchebycheff, and his work was extended by others. Today, a class of functions which satisfies these conditions is called a Tchebycheff System. This thesis contains the definition of a Tchebycheff System, along with the theorems, proofs, and definitions necessary to guarantee the existence of quadrature formulas for such systems. Solutions of discretely observable linear control systems are of particular interest, and observability with respect to a given output function is defined. The output function is written as a linear combination of a collection of orthonormal functions. Orthonormal functions are defined, and their properties are discussed. The technique for evaluating the coefficients in the output function involves evaluating the definite integral of functions which can be shown to form a Tchebycheff system. Therefore, quadrature formulas for these integrals exist, and in many cases are known. The technique given is useful in cases where the method of direct calculation is unstable. The condition number of a matrix is defined and shown to be an indication of the the degree to which perturbations in data affect the accuracy of the solution. In special cases, the number of data points required for direct calculation is the same as the number required by the method presented in this thesis. But the method is shown to require more data points in other cases. A lower bound for the number of data points required is given.

Hodges, Lucille McDaniel↗
NASA NTRS2001

Importance of the Annual Cycles of SST and Solar Irradiance for Circulation and Rainfall: A Climate Model Simulation Study

Annual cycle of climate and precipitation is related to annual cycle of sunshine and sea-surface temperatures. Understanding its behavior is important for the welfare of humans worldwide. For example, failure of Asian monsoons can cause widespread famine and grave economic disaster in the subtropical regions. For centuries meteorologists have struggled to understand the importance of the summer sunshine and associated heating and the annual cycle of sea-surface temperatures (SSTs) on rainfall in the subtropics. Because the solar income is pretty steady from year to year, while SSTs depict large interannual variability as consequence of the variability of ocean dynamics, the influence of SSTs on the monsoons are better understood through observational and modeling studies whereas the relationship of annual rainfall to sunshine remains elusive. However, using NASA's state of the art climate model(s) that can generate realistic climate in a computer simulation, one can answer such questions. We asked the question: if there was no annual cycle of the sunshine (and its associated land-heating) or the SST and its associated influence on global circulation, what will happen to the annual cycle of monsoon rains? By comparing the simulation of a 4-year integration of a baseline Control case with two parallel anomaly experiments: 1) with annual mean solar and 2) with annual mean sea-surface temperatures, we were able to draw the following conclusions: (1) Tropical convergence zone and rainfall which moves with the Sun into the northern and southern hemispheres, specifically over the Indian, African, South American and Australian regions, is strongly modulated by the annual cycles of SSTs as well as solar forcings. The influence of the annual cycle of solar heating over land, however, is much stronger than the corresponding SST influence for almost all regions, particularly the subtropics; (2) The seasonal circulation patterns over the vast land-masses of the Northern Hemisphere at mid and high latitudes also get strongly influenced by the annual cycles of solar heating. The SST influence is largely limited to the oceanic regions of these latitudes; (3) The annual mode of precipitation over Amazonia has an equatorial regime revealing a maxima in the month of March associated with SST, and another maxima in the month of January associated with the solar annual cycles, respectively. The baseline simulation, which has both annual cycles, depicts both annual modes and its rainfall is virtually equal to the sum of those two modes; (4) Rainfall over Sahelian-Africa is significantly reduced (increased) in simulations lacking (invoking) solar irradiation with (without) the annual cycle. In fact, the dominant influence of solar irradiation emerges in almost all monsoonal-land regions: India, Southeast Asia, as well as Australia. The only exception is the Continental United States, where solar annual cycle shows only a relatively minor influence on the annual mode of rainfall.

Sud, Yogesh C.↗