Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Modeling of Metal AM”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Metallic Fuel Benchmark Simulations Based on the X430 Experiments

To gauge the accuracy of current BISON metallic fuel performance models and identify models that require further development, Oak Ridge National Laboratory has developed benchmark problems based on two pins of the X430 experiment. These benchmarks recreate the experimental conditions of the X430 series of experiments with as much accuracy as possible given the available data. The benchmarks were implemented in the BISON nuclear fuel performance code and the simulation results were compared with the experimental results to quantify the simulation accuracy. Findings in this work were consistent with previous benchmark problems. The temperature profiles, burnup, and fission gas behavior were all as accurate as can reasonably be expected. The cladding radial growth was accurate enough to not affect the results of other measurements. The fuel axial growth was accurate for U-Zr fuel but not for U-Pu-Zr fuel, which appears to be caused by a lack of U-Pu-Zr data. Swelling correlations have not been developed for U-Pu-Zr fuel because there were not enough data on this fuel type, so BISON used the U-Zr correlations. Finally, recommendations were made for near-term BISON development.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Towards Ab-Initio Simulations of Crystalline Defects at the Exascale Using Spectral Quadrature Density Functional Theory

Defects in crystalline solids play a crucial role in determining properties of materials at the nano, meso- and macroscales, such as the coalescence of vacancies at the nanoscale to form voids and prismatic dislocation loops or diffusion and segregation of solutes to nucleate precipitates, phase transitions in magnetic materials via disorder and doping. First principles Density Functional Theory (DFT) simulations can provide a detailed understanding of these phenomena. However, the number of atoms needed to correctly simulate these systems is often beyond the reach of many widely used DFT codes. The aim of this article is to discuss recent advances in first principles modeling of crystal defects using the spectral quadrature method. The spectral quadrature method is linear scaling with respect to the number of atoms, permits spatial coarse-graining, and is capable of simulating non-periodic systems embedded in a bulk environment, which allows the application of appropriate boundary conditions for simulations of crystalline defects. In this article, we discuss the state-of-the-art in ab-initio modeling of large metallic systems of the order of several thousand atoms that are suitable for utilizing exascale computing resourses.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The Hubble PanCET Program: A Metal-rich Atmosphere for the Inflated Hot Jupiter HAT-P-41b

We present a comprehensive analysis of the 0.3–5 μm transit spectrum for the inflated hot Jupiter HAT-P-41b. The planet was observed in transit with Hubble STIS and WFC3 as part of the Hubble Panchromatic Comparative Exoplanet Treasury (PanCET) program, and we combine those data with warm Spitzer transit observations. We extract transit depths from each of the data sets, presenting the STIS transit spectrum (0.29–0.93 μm) for the first time. We retrieve the transit spectrum both with a free-chemistry retrieval suite (AURA) and a complementary chemical equilibrium retrieval suite (PLATON) to constrain the atmospheric properties at the day–night terminator. Both methods provide an excellent fit to the observed spectrum. Both AURA and PLATON retrieve a metal-rich atmosphere for almost all model assumptions (most likely O/H ratio of log{sub 10}Z/Z{sub ⊙}=1.46{sub −0.68}{sup +0.53} and log{sub 10}Z/Z{sub ⊙}=2.33{sub −0.25}{sup +0.23}, respectively); this is driven by a 4.9σ detection of H{sub 2}O as well as evidence of gas absorption in the optical (>2.7σ detection) due to Na, AlO, and/or VO/TiO, though no individual species is strongly detected. Both retrievals determine the transit spectrum to be consistent with a clear atmosphere, with no evidence of haze or high-altitude clouds. Interior modeling constraints on the maximum atmospheric metallicity (log{sub 10}Z/Z{sub ⊙}<1.7) favor the AURA results. The inferred elemental oxygen abundance suggests that HAT-P-41b has one of the most metal-rich atmospheres of any hot Jupiters known to date. Overall, the inferred high metallicity and high inflation make HAT-P-41b an interesting test case for planet formation theories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Confined and deconfined chaos in classical spin systems

Weakly perturbed integrable many-body systems are typically chaotic, and thermal at late times. However, there are distinct relationships between the timescales for thermalization and chaos. The typical relationship is confined chaos: when trajectories are still confined to regions in phase space with constant conserved quantities (actions), the conjugate angle variables are already unstable. Chaotic instabilities thus far precede thermalization. In a different relationship, which we term deconfined chaos, chaotic instabilities and thermalization occur on the same timescale. We investigate these two qualitatively distinct scenarios through numerical and analytical studies of two perturbed integrable classical spin models: the Ishimori spin chain (confined chaos), and the central spin model with XX interactions (deconfined chaos). We analytically establish (super)-integrability in the latter model in a microcanonical shell. Deconfined chaos emerges through the separation of phase space into large quasi-integrable regions and a thin chaotic manifold. The latter leads to chaos and thermalization on the fastest possible timescale, which is proportional to the inverse perturbation strength. This behavior is reminiscent of the quantum SYK models and strange metals.

Chaotic Dynamics (nlin.CD)↗
NASA NTRS1972

Radiant heat transfer between nongray directional surfaces.

Real surface property effects on local and overall heat transfer are studied for a simple system of interacting opaque surfaces. Wavelength, temperature and directional dependence of surface properties is included in the analysis for equal and unequal temperature specularly reflecting surfaces. Tungsten is employed as a representative metal and Roberts' model is used to describe the wavelength and temperature dependence of its optical parameters. The relationships of electromagnetic theory are employed to describe the directional dependence of spectral properties. Numerical results establish that gray direction independent property analysis adequately predicts the general trends of real surface analysis. The results also establish that spectral and temperature dependence of surface properties influences radiant heat transfer to a greater degree than does directional dependence of properties. Property models which adequately account for the nongray character of engineering surfaces while neglecting directional dependence of properties can provide heat transfer results of acceptable engineering accuracy.

Fischer, W. D.↗
NASA NTRS1975

Hydrogen interactions with metals

Review of the literature on the nature and extent of hydrogen interactions with metals and the role of hydrogen in metal failure. The classification of hydrogen-containing systems is discussed, including such categories as covalent hydrides, volatile hydrides, polymeric hydrides, and transition metal hydride complexes. The use of electronegativity as a correlating parameter in determining hydride type is evaluated. A detailed study is made of the thermodynamics of metal-hydrogen systems, touching upon such aspects as hydrogen solubility, the positions occupied by hydrogen atoms within the solvent metal lattice, the derivation of thermodynamic functions of solid solutions from solubility data, and the construction of statistical models for hydrogen-metal solutions. A number of theories of hydrogen-metal bonding are reviewed, including the rigid-band model, the screened-proton model, and an approach employing the augmented plane wave method to solve the one-electron energy band problem. Finally, the mechanism of hydrogen embrittlement is investigated on the basis of literature data concerning stress effects and the kinetics of hydrogen transport to critical sites.

Mclellan, R. B.↗
NASA NTRS1975

Binding of an adatom to a simple metal surface

The density functional formalism of Hohenberg and Kohn is used to investigate the energies, charge densities and forces which hold an adatom on the surface of a simple metal. The valence wavefunction of the adatom is fitted to the Herman-Skillman solutions at large distance and is simplified somewhat in the core region. The field of the ion is represented by the Ashcroft pseudopotential. For the metal the jellium model is used. Detailed calculations are carried out for a sodium adatom on a sodium surface. Simply juxtaposing adatom and surface gives a binding energy of about 1/3 eV. This value is approximately twice the surface energy per atom in the close-packed plane. Charge redistributions as determined variationally increase the binding energy by about 10%. The equilibrium distance for the adatom turns out to be 1.66 A from the surface, as compared with 1.52 A, the observed value for one-half the distance between the close-packed planes.

Huntington, H. B.↗
NASA NTRS1981

RR Lyrae stars - A theoretical study of Bailey types a and b

The full-amplitude behaviour of theoretical models of RR Lyr stars pulsating in the fundamental mode has been explored with the use of Carson's radiative opacities. A detailed comparison of the models with metal-poor RR Lyr stars of Bailey types a and b suggests that these stars have properties that lie somewhere in the following ranges: mass/solar mass = 0.55-0.65, Y = 0.2 0.3, and log (luminosity/solar luminosity) = 1.6-1.7. In obtaining these results, the only data that are used are velocity curves and light curves. Independent information, however, seems to corroborate the values found here. The use of Los Alamos opacities gives somewhat similar results, although the derived masses are smaller by about 20%.

Stothers, R.↗
NASA NTRS1985

Observations of a monotectic solidification interface morphology

For detailed studies of the region around a solidification interface on a microscopic scale, a very thin (essentially two-dimensional) test cell may be translated across two temperature-controlled heating/cooling blocks and viewed with a microscope. Such a device is sometimes referred to as a temperature gradient microscope stage (TGS). Of particular interest in this study is the behavior of a monotectic type solution during solidification. Succinonitrile based model systems for metallic monotectic alloys, when solidified on a TGS, form an unusual 'worm-like' micromorphology. These interfaces are observable in situ under high optical magnification during growth.

Kaukler, W. F.↗
NASA NTRS1986

Oxidation and embrittlement of Ti-6Al-2Sn-4Zr-2Mo alloy

A thermogravimetric analysis monitoring study has been conducted for Ti-6Al-2Sn-4Zr-2Mo in the 593-760 C range, with a view to its total oxidation kinetics in laboratory air. In addition, tensile elongation was obtained for selected foil specimens after their exposure to simulated Space Shuttle reentry conditions. The total weight gain with time exhibited two parabolic stages separated by a transient region which is the result of a simultaneous increase in the parabolic growth rate constant for the oxide and in oxygen solubility at the oxide-metal interface. A model for the total oxidation kinetics accounting for the two individual components (oxide growth and solid solution formation) is proposed; the activation energy for oxygen diffusion in the alpha-solid solution is shown to approximate the activation energy for the degradation of tensile elongation of the alloy in its foil gage condition.

Shenoy, R. N.↗
NASA NTRS1990

Computing Mass Properties From AutoCAD

Mass properties of structures computed from data in drawings. AutoCAD to Mass Properties (ACTOMP) computer program developed to facilitate quick calculations of mass properties of structures containing many simple elements in such complex configurations as trusses or sheet-metal containers. Mathematically modeled in AutoCAD or compatible computer-aided design (CAD) system in minutes by use of three-dimensional elements. Written in Microsoft Quick-Basic (Version 2.0).

Jones, A.↗
NASA NTRS1990

Local stresses in metal matrix composites subjected to thermal and mechanical loading

An elasticity solution has been used to analyze matrix stresses near the fiber/matrix interface in continuous fiber-reinforced metal-matrix composites, modeling the micromechanics in question in terms of a cylindrical fiber and cylindrical matrix sheath which is embedded in an orthotropic medium representing the composite. The model's predictions for lamina thermal and mechanical properties are applied to a laminate analysis determining ply-level stresses due to thermomechanical loading. A comparison is made between these results, which assume cylindrical symmetry, and the predictions yielded by a FEM model in which the fibers are arranged in a square array.

Highsmith, Alton L.↗
NASA NTRS1991

Solidification processing superalloys in an electric field

The phase morphology of a given superalloy's microstructure is established during solidification. Solidification-processing in an applied electric field is a technique currently undergoing experimental characterization at NASA-Marshall. The method is predicated on the simplest model of a metallic solid, in which ions are arranged in basic space lattices that are permeated by an 'electron gas' whose valence electrons are free to move in the solid. When in a superheated liquid state, the metal is seen as a dense 'cold plasma' of electrons and ions. The application of an electric field during solidification establishes a steady, continuous current flow; the direction of propagation of the plasma waves coincides with the direction of the electric field. Such an alignment introduces an ordered arrangement of the electric vectors and introduces an additional degree of order in an already highly ordered alloy.

Ahmed, Shaffiq↗
NASA NTRS1992

Gravitational and thermal effects in CVD flow and deposition

A three-phased approach is used to investigate the transport phenomena occurring in horizontal CVD reactors. The three phases are made up of laser velocimetry experimental investigations, numerical CFD modeling, and metal-organic chemical vapor deposition experimental studies. Laser velocimetry measurements of flow in a horizontal reactor with a cylindrical flow channel and tilted susceptor demonstrate velocity components arising from thermal expansion and buoyancy effects that significantly exceed the velocity components due to the external applied flow. MOCVD of InP and GaAs thin films in a horizontal reactor channel with a rectangular cross section and a tilted susceptor has also been examined.

Clark, I. O.↗