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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Phase Field Dislocation Dynamics (PFDD)

Phase Field Dislocation Dynamics (PFDD) is a phase field approach for tracking the motion and interactions of individual dislocations in materials, mostly face-centered cubic (fcc) metals. The phase field approach relies on scalar order parameters or phase field variables to track a quantity of interest. In PFDD, these phase field variables represent the passage of perfect dislocations across each active slip system, with one order parameter defined in each slip system. Partial dislocations are represented with linear combinations of the order parameters. The system is evolved through minimization of the total system energy, which is directly dependent on the phase field variables. All of the physics is described by the total energy functional that is derived from a thermodynamic basis, and the system kinetics are evolved using a Ginzburg-Landau (GL) equation.

Hunter, Abigail↗
DOE OSTI2012

Structure of Rare Isotopes (Final Report)

The Junior Investigator grant 'Structure of Rare Isotopes' (DE-FG02-07ER41529) supported research in low-energy nuclear theory from September 1, 2007 to August 31, 2010. It was the main goal of the proposed research to develop and optimize an occupation-number-based energy functional for the computation of nuclear masses, and this aim has been reached. Furthermore, progress was made in linking two and three-body forces from low-momentum interactions to pairing properties in nuclear density functionals, and in the description of deformed nuclei within an effective theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

CHIPFoam Modification to Allow for Modelling SWIFT Foams

SWIFT (Silicon-water in Familiar Template) foams are silicone foams that have a continuous porosity without having any obvious spherical or ellipsoidal pore shapes. Like other foamed rubber, SWIFT foams can experience large reversible deformations. Because of their microstructure, SWIFT foams have a stiffering behavior in compression that is very abrupt compared to most other foamed rubbers. Work by Benedikt reported by Miller showed that fitting compressive test data with the CHIPFoam model in its current form is impractical and inaccurate. This report describes an extension made to CHIPFoam to allow the modeling of SWIFT foams. While the extension allows the modeling of SWIFT foams, it also extends the range of porosity of foams that can be modelled with CHIPFoam to include very high porosity (>99%) foamed rubber. The previous model was unstable for porosities greater than 70%. The changes made to CHIPFoam include the introduction of a critical porosity at which the compressible Danielsson strain energy function that couples volumetric and deviatoric mechanical behavior begins to increase with compression. This new feature also required the introduction of a third term in the multiplicative decomposition of the relative volume, J . The organization of this report is described here. The first section, SWIFT Foam Structure and Mechanical Behavior, describes the structure of SWIFT foams as contrasted to other foamed rubbers. It also contrasts the mechanical behavior of SWIFT foams to other more traditional foamed rubbers. The second section, CHIPFoam Modifications, describes the specific modifications done to be able to modify the delayed rapid compressive stiffening seen in SWIFT foams. The third section, Results, demonstrates the use of the modified model to fit compressive loading response data from a SWIFT foam sample. The fourth section, Conclusions and Further Work, puts the work in perspective and presents likely further work.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Challenges and Solutions for Leave-One-Out Biosensor Design in the Context of a Rugged Fitness Landscape

The leave-one-out (LOO) green fluorescent protein (GFP) approach to biosensor design combines computational protein design with split protein reconstitution. LOO-GFPs reversibly fold and gain fluorescence upon encountering the target peptide, which can be redefined by computational design of the LOO site. Such an approach can be used to create reusable biosensors for the early detection of emerging biological threats. Enlightening biophysical inferences for nine LOO-GFP biosensor libraries are presented, with target sequences from dengue, influenza, or HIV, replacing beta strands 7, 8, or 11. An initially low hit rate was traced to components of the energy function, manifesting in the over-rewarding of over-tight side chain packing. Also, screening by colony picking required a low library complexity, but designing a biosensor against a peptide of at least 12 residues requires a high-complexity library. This double-bind was solved using a “piecemeal” iterative design strategy. Also, designed LOO-GFPs fluoresced in the unbound state due to unwanted dimerization, but this was solved by fusing a fully functional prototype LOO-GFP to a fiber-forming protein, Drosophila ultrabithorax, creating a biosensor fiber. One influenza hemagglutinin biosensor is characterized here in detail, showing a shifted excitation/emission spectrum, a micromolar affinity for the target peptide, and an unexpected photo-switching ability.

Chemistry↗
NASA NTRS1972

Ultrahigh energy photons, electrons, and neutrinos, the microwave background, and the universal cosmic-ray hypothesis

The production of ultrahigh energy photons, electrons and neutrinos as the decay products of pions produced in photomeson interactions between cosmic ray nucleons and the blackbody microwave background is discussed in terms of the resultant energy spectra of these particles. Simple asymptotic formulas are given for calculating the ultrahigh energy photon spectrum predicted for the universal cosmic ray hypothesis and the resulting spectra are compared with those obtained previously by numerical means using a different propagation equation for the photons. Approximate analytic solutions for the photon spectra are given in terms of simple power-law energy functions and slowly varying logarithmic functions.

Stecker, F. W.↗
NASA NTRS1972

Dissociation energies of some high temperature molecules containing aluminum

The Knudsen cell mass spectrometric method has been used to investigate the gaseous molecules Al2, AlSi,AlSiO, AlC2, Al2C2, and AlAuC2. Special attention was given to the experimental considerations and techniques needed to identify and to measure ion intensities for very low abundance molecular species. Second- and third-law procedures were used to obtain reaction enthalpies for pressure calibration independent and isomolecular exchange reactions. Dissociation energies for the molecules were derived from the measured ion intensities, free-energy functions obtained from estimated molecular constants, and auxiliary thermodynamic data. The bonding and stability of these aluminum containing molecules are compared with other similar species.

Stearns, C. A.↗
NASA NTRS1972

Viscosity of atomic hydrogen.

New calculations of the viscosity of atomic hydrogen were carried out, and excellent agreement between these values and recent experimental results (Cheng and Blackshear, 1972) is pointed out. They made measurements of the viscosity of atomic hydrogen at four temperatures, using an iterative technique. Theoretical values for the transport properties of atomic hydrogen may be predicted reliably over a wide range of temperatures by use of Kolos and Wolniewicz potential energy functions (1965).

Allison, A. C.↗
NASA NTRS1973

Dynamics of electromechanical flow structures.

Free-surface gravity flows and capillary wicking provide examples of flow structures with fluid partially ducted at free surfaces by external forces. Wall-less electromechanical flow structures are developed which have a similar nature, but with polarization forces providing the orientation at free surfaces. Like their mechanical counterparts, these have the ability to ingest liquid or expel vapor through their walls. The structures consist of electrodes running in the flow direction z with slowly varying cross sections in a plane transverse to the flow. A formulation is given of the long-wave nonlinear (principal mode) dynamics, with use made of energy functions to represent a broad class of possible mechanical and electrical structure geometries.

Jones, T. B., Jr.↗
NASA NTRS1973

Diagnostics of sources of disturbances and distribution of vibrations over the width of a tape in tape-feed mechanisms

Disturbances created by certain assemblies and components of tape-feed mechanisms (TFM) and acting on a moving magnetic tape are studied. The method, based on elements of digital logic, is established by stress-strain diagrams of the longitudinal deformations and vibrations across the width of a magnetic tape. Experimental studies were carried out for determination of the functional relationships of longitudinal deformations in a section of magnetic tape to the magnitude of roller play, tension vibrations rate of movement, and elasticity of magnetic tapes. A block diagram of the measurements is shown. Appropriate digital computer algorithms and programs were proposed for statistical analysis of the data obtained. Estimates of the mathematical expectation, dispersion, intercorrelation function, energy spectral density, and distribution pattern of the random process values were calculated.

Kenstavichyus, A. B. B.↗
NASA NTRS1975

Infrared spectra of molecules and materials of astrophysical interest

The vibrational spectra from 4000 to 33 cm-1 of several modecules which may be present in the atmosphere of the Jovian planets are studied to provide vibrational frequencies which can be used to: (1) determine the composition of the cloud covers of several of the planets; (2) provide structural information under favorable circumstances; (3) provide necessary data from which accurate thermodynamic data can be calculated; and (4) furnish information as to the nature of the potential energy function of the molecules and forces acting within them. Some of the molecules are produced photochemically from methane, ammonia, and hydrogen sulfide which are thought to be constituents of the planets with reducing atmospheres. Some of the compounds polymerize under ultraviolet radiation and drop out of the atmospheres. However, planets with a hot base, like that of Jupiter, may rebuild molecules destroyed photochemically.

Durig, J. R.↗
NASA NTRS1975

Rigid format alter packets for the analysis of electromagnetic field problems

The computer program NASTRAN is used to solve electromagnetic field problems. The diffusion equation and the boundary conditions valid for problems of these kinds together with a replacing potential energy function are given. The extent to which an analogy with finite element displacement and temperature approaches holds is indicated. The outputting of complex quantities is made possible after adjustment of standard rigid format 1 input data blocks to module SDR2. The applications made involve the study of the proximity effect in a system of three parallel conductors and the analysis of the magnetic field in the vicinity of the points of contact in circuit breakers.

Spreeuw, E.↗
NASA NTRS1976

Infrared spectra of molecules and materials of astrophysical interest

The vibrational spectra from 4,000 to 33/cm of several molecules which may be present in the atmosphere of the Jovian planets or exist in outer space were studied. These studies have been made to provide vibrational frequencies which can be used to: (1) determine the composition of the cloud covers of several of the planets, (2) provide structural information under favorable circumstances, (3) provide necessary data from which accurate thermodynamic data can be calculated, and (4) furnish information as to the nature of the potential energy function of the molecules and forces acting within them. Some of the molecules studied can be produced photochemically from methane, ammonia, and hydrogen sulfide which are thought to be constituents of the planets with reducing atmospheres. Some of the compounds will polymerize under ultraviolet radiation and drop out of the atmospheres. However, planets with a hot base, like that of Jupiter, may rebuild molecules destroyed photochemically. These criteria were used in selecting the compounds under study.

Durig, J. R.↗