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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

GVIPS Models and Software

Two reports discuss, respectively, (1) the generalized viscoplasticity with potential structure (GVIPS) class of mathematical models and (2) the Constitutive Material Parameter Estimator (COMPARE) computer program. GVIPS models are constructed within a thermodynamics- and potential-based theoretical framework, wherein one uses internal state variables and derives constitutive equations for both the reversible (elastic) and the irreversible (viscoplastic) behaviors of materials. Because of the underlying potential structure, GVIPS models not only capture a variety of material behaviors but also are very computationally efficient. COMPARE comprises (1) an analysis core and (2) a C++-language subprogram that implements a Windows-based graphical user interface (GUI) for controlling the core. The GUI relieves the user of the sometimes tedious task of preparing data for the analysis core, freeing the user to concentrate on the task of fitting experimental data and ultimately obtaining a set of material parameters. The analysis core consists of three modules: one for GVIPS material models, an analysis module containing a specialized finite-element solution algorithm, and an optimization module. COMPARE solves the problem of finding GVIPS material parameters in the manner of a design-optimization problem in which the parameters are the design variables.

Arnold, Steven M.↗
NASA NTRSDate not supplied

Ab initio ground states of strongly-correlated materials on quantum computers

The accurate first-principles description of strongly-correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as a way of deriving accurate many-body Hamiltonians including strong correlations, representing a subspace of interest of a material, using density functional theory calculations as a starting point. However, the solution of these material-specific models can scale exponentially on classical computers, constituting a challenge. Here we propose that utilizing quantum computers for obtaining the properties of downfolded Hamiltonians yields an accurate description of the ground state properties of strongly-correlated systems, while circumventing the exponential scaling problem. We benchmark the solution of Hubbard-like models obtained through downfolding by utilizing a classical tensor network implementation of variational quantum eigensolvers (VQE), and we reveal a strategy for driving the optimization through a hybrid minimization of the energy and maximization of the overlap with an approximate solution obtained through low-cost computational methods. This results in a reduction of the energy error by orders of magnitude compared to conventional VQE approaches, and allows us to reproduce long-range correlations for the first time. We demonstrate our first-principles approach for diverse strongly-correlated materials, correctly predicting the antiferromagnetic state of one-dimensional cuprate Ca 2 CuO 3 , the excitonic ground state of monolayer WTe2, and the charge-ordered state of correlated metal SrVO 3 . Our efficient computational implementation allows us to simulate large systems with up to 54 qubits and encompassing up to four correlated bands, which is indicative of the complexity that our framework can address.

Antonios M Alvertis↗
NASA NTRS2003

Liners and Low Luminosity AGN in the ROSAT Database

This program has led to a series of papers being written and published in the Astrophysical Journal. Together these papers try to explain major parts of the LINER and low luminosity AGN puzzle. One paper ('Accretion Disk Instabilities, Cold Dark Matter Models, and Their Role in Quasar Evolution', Hatziminaoglou E., Siemiginowska A., & Elvis M., 2001, ApJ, 547, 90) describes an analytical model for the evolution of the quasar luminosity function. By combining the Press-Schechter formalism for the masses of initial structures with the luminosity distribution for a population of single mass black holes given by an unstable accretion disk an almost complete end-to-end physics-based model of quasar evolution is produced. In this model black holes spend 75% of their time in a low accretion state (at L(Edd)). This low state population of black holes is likely to be observed as the LINER and low luminosity AGNs in the local universe. Another paper ('Broad Emission Line Regions in AGN: the Link with the Accretion Power', Nicastro F., 2000, ApJ Letters, 530, L65) gives a physical basis for why low state black holes appear as LINERS. By linking the Lightman-Eardley instability in an accretion disk to the ori.gin of a wind that contains the broad emission line cloud material this model explains the large widths seen in these lines as being the Keplerian velocity of the disk at the instability radius. For LINERS the key is that below an accretion rate of 10(exp -3)M(sub Edd)the Lightman-Eardley instability falls within the innermost stable orbit of the disk, and so leaves the entire disk stable. No wind occurs, and so no broad emission lines are seen. Most LINERS are likely to be black holes in this low state. Tests of this model are being considered.

Elvis, Martin↗
NASA NTRS2017

Microstructural Characterization and Modeling of SLM Superalloy 718

Superalloy 718 is an excellent candidate for selective laser melting (SLM) fabrication due to a combination of excellent mechanical properties and workability. Predicting and validating the microstructure of SLM-fabricated Superalloy 718 after potential post heat-treatment paths is an important step towards producing components comparable to those made using conventional methods. At present, obtaining accurate volume fraction and size measurements of gamma-double-prime, gamma-prime and delta precipitates has been challenging due to their size, low volume fractions, and similar chemistries. A technique combining high resolution distortion corrected SEM imaging and with x-ray energy dispersive spectroscopy has been developed to accurately and independently measure the size and volume fractions of the three precipitates. These results were further validated using x-ray diffraction and phase extraction methods and compared to the precipitation kinetics predicted by PANDAT and JMatPro. Discrepancies are discussed in context of materials properties, model assumptions, sampling, and experimental errors.

SEM↗
NASA NTRS1972

On fracture phenomena in advanced fiber composite materials.

The extension of linear elastic fracture mechanics (LEFM) from metallic alloys to advanced fiber composite laminates is considered. LEFM is shown to be valid for both isotropic and anisotropic homogeneous continua; the applicability of LEFM to advanced fiber composites is thus dependent on the validity of a homogeneous model of such materials. An experimental program to determine the validity of such a model for graphite/epoxy laminates is reviewed. Such laminates are found to have an apparent fracture toughness, from which it is inferred that a homogeneous material model is valid for the particular specimen geometry and composite laminates considered. Strain energy release rates are calculated from the experimentally determined fracture toughness of the various laminates. These strain energy release rates are found to lie in one of two groups, depending upon whether crack extension required fiber failure or matrix failure. The latter case is further investigated. It is concluded that matrix failure is governed by the tensile stress normal to the crack path.

Konish, H. J., Jr.↗
NASA NTRS2004

Analysis of SMA Hybrid Composite Structures using Commercial Codes

A thermomechanical model for shape memory alloy (SMA) actuators and SMA hybrid composite (SMAHC) structures has been recently implemented in the commercial finite element codes MSC.Nastran and ABAQUS. The model may be easily implemented in any code that has the capability for analysis of laminated composite structures with temperature dependent material properties. The model is also relatively easy to use and requires input of only fundamental engineering properties. A brief description of the model is presented, followed by discussion of implementation and usage in the commercial codes. Results are presented from static and dynamic analysis of SMAHC beams of two types; a beam clamped at each end and a cantilevered beam. Nonlinear static (post-buckling) and random response analyses are demonstrated for the first specimen. Static deflection (shape) control is demonstrated for the cantilevered beam. Approaches for modeling SMAHC material systems with embedded SMA in ribbon and small round wire product forms are demonstrated and compared. The results from the commercial codes are compared to those from a research code as validation of the commercial implementations; excellent correlation is achieved in all cases.

Turner, Travis L.↗
NASA NTRS2005

Analysis of SMA Hybrid Composite Structures in MSC.Nastran and ABAQUS

A thermoelastic constitutive model for shape memory alloy (SMA) actuators and SMA hybrid composite (SMAHC) structures was recently implemented in the commercial finite element codes MSC.Nastran and ABAQUS. The model may be easily implemented in any code that has the capability for analysis of laminated composite structures with temperature dependent material properties. The model is also relatively easy to use and requires input of only fundamental engineering properties. A brief description of the model is presented, followed by discussion of implementation and usage in the commercial codes. Results are presented from static and dynamic analysis of SMAHC beams of two types; a beam clamped at each end and a cantilever beam. Nonlinear static (post-buckling) and random response analyses are demonstrated for the first specimen. Static deflection (shape) control is demonstrated for the cantilever beam. Approaches for modeling SMAHC material systems with embedded SMA in ribbon and small round wire product forms are demonstrated and compared. The results from the commercial codes are compared to those from a research code as validation of the commercial implementations; excellent correlation is achieved in all cases.

Turner, Travis L.↗
NASA NTRS2006

Overview of a Proposed Flight Validation of Aerocapture System Technology

Aerocapture is a very useful capability for NASA that can be used across a wide range of planetary mission sizes and destinations. A substantial mass advantage may be realized through aerocapture maneuver implementation. The mass advantage is enabling for certain outer planet mission profiles. Aerocapture technology provides corollary benefits to the related applications of atmospheric entry and precision landing on worlds with atmospheres through aero/aerothermodynamic model validation, hypersonic guided flight, tps materials, and performance model validation. The ST9 Aerocapture flight validation will be sufficient to immediately infuse aerocapture technology into future NASA science missions. The advanced technologies being flight validated will enable the system level goal of performing an aerocapture maneuver. The advanced technologies include: The GN&C System, TPS materials, plus Advanced recession and heat flux sensors.

Keys, Andrew S.↗
NASA NTRS2008

Numerically Modeling the Erosion of Lunar Soil by Rocket Exhaust Plumes

In preparation for the Apollo program, Leonard Roberts of the NASA Langley Research Center developed a remarkable analytical theory that predicts the blowing of lunar soil and dust beneath a rocket exhaust plume. Roberts assumed that the erosion rate was determined by the excess shear stress in the gas (the amount of shear stress greater than what causes grains to roll). The acceleration of particles to their final velocity in the gas consumes a portion of the shear stress. The erosion rate continues to increase until the excess shear stress is exactly consumed, thus determining the erosion rate. Roberts calculated the largest and smallest particles that could be eroded based on forces at the particle scale, but the erosion rate equation assumed that only one particle size existed in the soil. He assumed that particle ejection angles were determined entirely by the shape of the terrain, which acts like a ballistic ramp, with the particle aerodynamics being negligible. The predicted erosion rate and the upper limit of particle size appeared to be within an order of magnitude of small-scale terrestrial experiments but could not be tested more quantitatively at the time. The lower limit of particle size and the predictions of ejection angle were not tested. We observed in the Apollo landing videos that the ejection angles of particles streaming out from individual craters were time-varying and correlated to the Lunar Module thrust, thus implying that particle aerodynamics dominate. We modified Roberts theory in two ways. First, we used ad hoc the ejection angles measured in the Apollo landing videos, in lieu of developing a more sophisticated method. Second, we integrated Roberts equations over the lunar-particle size distribution and obtained a compact expression that could be implemented in a numerical code. We also added a material damage model that predicts the number and size of divots which the impinging particles will cause in hardware surrounding the landing rocket. Then, we performed a long-range ballistics analysis for the ejected particulates.

Source record↗
NASA NTRS2012

Lattice Thermal Conductivity from Atomistic Simulations: ZrB2 and HfB2

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

Lawson, John W.↗
NASA NTRS2012

Lattice Thermal Conductivity of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2 from Atomistic Simulations

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

Lawson, John W.↗
NASA NTRS1971

Emission characteristics of snow and ice in the microwave range

Some results are presented of a two year investigation on microwave emissions from snow. Included in the investigation were: theoretical studies; laboratory measurements of electrical properties of snow and similar materials; numerical modelling of hypothetical and real snowpacks; analysis of microwave data obtained on everflights; and quantative measurements of natural and artificial snowpacks made in the field. Results indicate that a fairly simple combination of microwave polarizations and frequencies can ultimately be used to monitor the water equivalent and free-water content as well as the distribution of snow. This understanding may also shed light on the physics of microwave emission from other wet, granular, layered media.

Meier, M. F.↗
NASA NTRS1976

Rolling-contact deformation of MgO single crystals

Magnesium oxide single crystals were used as a model bearing material and deformed by rolling contact with a steel ball 0.64 cm in diameter. A dependence of depth of slip on rolling velocity which persisted with increasing numbers of rolling-contact cycles was discovered. The track width, track hardness and dislocation interactions as observed by transmission electron microscopy all increased in a consistent manner with increasing cycles. The rolling-contact state of stress produces a high density of dislocations in a localized zone. Dislocation interaction in this zone produces cleavage-type cracks after a large number of rolling-contact cycles. The orientation of the crystal influences the character of dislocation accumulation.

Dufrane, K. F.↗
NASA NTRS1977

Influence of adsorbed fluids on the rolling contact deformation of MgO single crystals

Basic phenomena associated with rolling contact deformation were studied using MgO as a model bearing material. A hardened steel ball was rolled on MgO single crystals in slow-speed reciprocating motion and in high-speed circular motion. The resulting deformation was studied by dislocation etch-pit techniques. The presence of adsorbed fluids, such as silicone oil, white mineral oil, and toluene, with slow-speed sliding caused a dramatic change in slip mode and premature surface spalling compared with similar experiments in air or under water. In contrast, dimethyl formamide inhibited these slip processes. The results are consistent with the dependence of dislocation mobility on adsorbed species. High-speed hydrodynamic rolling with mineral oil lubrication produced a different slip phenomena entirely from the slow-speed rolling. The slip bands resembled those produced in tensile tests, and all slip apparently initiated at subsurface sites.

Dufrane, K. F.↗