Search NASA⌕ Search

SEARCH · Search NASA

Results for “material parameters”

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 55 records · Page 3

Pragmatic Uncertainty Quantification and Propagation in Inverse Estimation of Structural Dynamics Parameters given Material Property Uncertainties and Limited Sensor Data

In this report we demonstrate some relatively simple and inexpensive methods to effectively account for various sources of epistemic lack-of-knowledge type uncertainty in inverse problems. The demonstration problem involves inverse estimation of six parameters of a bolted joint that attaches a kettlebell shaped object to a thick plate. The parameters are efficiently inverted in a modal-based model calibration using gradient-based optimization. Two material properties of the kettlebell are treated as uncertain to within given epistemic uncertainty bounds. We apply and test interval and sparse-sample probabilistic approaches to account for uncertainty in the estimated parameters (and various scalar functionals of the parameters as generic quantities of interest, QOIs) due to uncertainties in the material properties. We also investigate the error effects of limited numbers of vibration sensors (accelerometers) on the kettlebell and plate, and therefore abbreviated excitation/response information in the parameter inversions. We propose and demonstrate a Leave-K-Sensors-Out “cross-prediction” UQ approach to estimate related uncertainties on the parameters and QOI functionals. We indicate how uncertainties from material properties and limited sensors are treated in a combined manner. The economical combined UQ approach involves just three to five samples (i.e. three to five inverse simulations), with no added complication or error/uncertainty from use of surrogate models for affordability. Finally, we describe a related economical UQ approach for handling potential parameter solution non-uniqueness and numerical optimization related precision uncertainties in the estimated parameter values. Indicated further research is identified.

36 MATERIALS SCIENCE↗

Material Model Parameters Optimization in Liquid Mercury Target Dynamics Simulation With Machine Learning Surrogates

A pulsed spallation target is subjected to very short (∼0.7μs) but intense loads (23.3 kJ) from repeated proton pulses, which knock away neutrons from the mercury atoms’ nuclei for a wide range application in physics, engineering, medicine, petroleum exploration, biology, chemistry, etc. The effect of this pulsed loading on the stainless-steel target module which contains the flowing mercury target material is difficult to predict not only due to its short but intense explosive-like physical reaction, but also the nonlinear material behavior of the liquid mercury in the structure. Injecting small helium bubbles in the mercury has been an efficient method of mitigating the pressure wave at high power level stage. However, prediction of the resultant loading on the target is more difficult when helium gas is intentionally injected into the mercury. A 2-phase material model that incorporates the Rayleigh-Plesset (R-P) model is expected to address this complex multi-physics dynamics problem by including the bubble dynamics in the liquid mercury. A parameter sensitivity study was firstly employed to understand their impact on the simulation strains. The investigated parameters included E, μ, γ, σ, n, VFgas, and gas cumulative volume curve control parameters a and b. Verification and validation results from sparse polynomial expansions (SPE) method and directional Gaussian smoothing (DGS) optimization show that the surrogate model had training error of ∼7% and validation error of ∼15%, indicating that machine learning methods and surrogate models can help optimize the uncertain parameters in the complex 2-phase material model. This approach is expected to fill the knowledge gap between unknown liquid-gas mixture material model and measured vessel strain responses.

Lin, Lianshan↗

Electric fields in irradiated dielectrics

An existing model for quantitatively predicting electric field build-up in dielectrics is used to demonstrate the importance of material parameters. Results indicate that electron irradiation will produce 10 to the 6th power V/cm in important materials. Parameters which can alter this build-up are discussed. Comparison to known irradiation induced dielectric charging experiments is discussed.

Frederickson, A. R.↗

Dislocation Theory of the Fatigue of Metals

A dislocation theory of fatigue failure for annealed solid solutions is presented. On the basis of this theory, an equation giving the dependence of the number of cycles for failure on the stress, the temperature, the material parameters, and the frequency is derived for uniformly stressed specimens. The equation is in quantitative agreement with the data. Inasmuch as one material parameter is indicated to be temperature-dependent and its temperature dependence is unknown, it is impossible to predict the temperature dependence of the number of cycles for failure. A predicted quantitative correlation between fatigue and creep was found to exist, which suggests the practical possibility of obtaining fatigue data for annealed solid solutions and elements from steady-state creep-rate data for these materials. As a result of this investigation, a modification of the equation for the steady-state creep rate previously developed on the basis of the dislocation theory is suggested. Additional data are required to verify completely the dislocation theory of fatigue.

Machlin, E S↗

Reduction technique for tire contact problems

A reduction technique and a computational procedure are presented for predicting the tire contact response and evaluating the sensitivity coefficients of the different response quantities. The sensitivity coefficients measure the sensitivity of the contact response to variations in the geometric and material parameters of the tire. The tire is modeled using a two-dimensional laminated anisotropic shell theory with the effects of variation in geometric and material parameters, transverse shear deformation, and geometric nonlinearities included. The contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the stress resultants, the generalized displacements, and the Lagrange multipliers associated with the contact conditions. The elemental arrays are obtained by using a modified two-field, mixed variational principle. For the application of the reduction technique, the tire finite element model is partitioned into two regions. The first region consists of the nodes that are likely to come in contact with the pavement, and the second region includes all the remaining nodes. The reduction technique is used to significantly reduce the degrees of freedom in the second region. The effectiveness of the computational procedure is demonstrated by a numerical example of the frictionless contact response of the space shuttle nose-gear tire, inflated and pressed against a rigid flat surface.

Noor, Ahmed K.↗

Advances in reduction techniques for tire contact problems

Some recent developments in reduction techniques, as applied to predicting the tire contact response and evaluating the sensitivity coefficients of the different response quantities, are reviewed. The sensitivity coefficients measure the sensitivity of the contact response to variations in the geometric and material parameters of the tire. The tire is modeled using a two-dimensional laminated anisotropic shell theory with the effects of variation in geometric and material parameters, transverse shear deformation, and geometric nonlinearities included. The contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the stress resultants, the generalized displacements, and the Lagrange multipliers associated with the contact conditions. The elemental arrays are obtained by using a modified two-field, mixed variational principle. For the application of reduction techniques, the tire finite element model is partitioned into two regions. The first region consists of the nodes that are likely to come in contact with the pavement, and the second region includes all the remaining nodes. The reduction technique is used to significantly reduce the degrees of freedom in the second region. The effectiveness of the computational procedure is demonstrated by a numerical example of the frictionless contact response of the space shuttle nose-gear tire, inflated and pressed against a rigid flat surface. Also, the research topics which have high potential for enhancing the effectiveness of reduction techniques are outlined.

Noor, Ahmed K.↗

Piezoviscous effects in nonconformal contacts lubricated hydrodynamically

The analysis is concerned with the piezoviscous-rigid regime of lubrication for the general case of elliptical contacts. In this regime several formulas of the lubricant film thickness have been proposed by Hamrock and Dowson, by Dowson et al., and more recently by Houpert. However, either they do not include the load parameter W, which has a strong effect on film thickness, or they overestimate the film thickness by using the Barus formula for pressure-viscosity characteristics. The Roelands formula was used for the pressure-viscosity relationship. The effects of the dimensionless load, speed, and materials parameters, the radius ratio, and the lubricant entrainment direction were investigated. The dimensionless load parameter was varied over a range of one order of magnitude. The dimensionless speed parameter was varied by 5.6 times the lowest value. Conditions corresponding to the use of solid materials of steel, bronze, and silicon nitride and lubricants of paraffinic and naphthenic mineral oil were considered in obtaining the exponent in the dimensionless materials parameter. The radius ratio was varied from 0.2 to 64 (a configuration approaching a line contact). Forty-one cases were used in obtaining a minimum film thickness formula. Contour plots indicate in detail the pressure developed between the contacting solids.

Jeng, Y. R.↗

Piezoviscous effects in nonconformal contacts lubricated hydrodynamically

The analysis is concerned with the piezoviscous-rigid regime of lubrication for the general case of elliptical contacts. In this regime several formulas of the lubricant film thickness have been proposed by Hamrock and Dowson, by Dowson et al., and more recently by Houpert. However, either they do not include the load parameter W, which has a strong effect on film thickness, or they overestimate the film thickness by using the Barus formula for pressure-viscosity characteristics. The Roelands formula was used for the pressure-viscosity relationship. The effects of the dimensionless load, speed, and materials parameters, the radius ratio, and the lubricant entrainment direction were investigated. The dimensionless load parameter was varied over a range of one order of magnitude. The dimensionless speed parameter was varied by 5.6 times the lowest value. Conditions corresponding to the use of solid materials of steel, bronze, and silicon nitride and lubricants of paraffinic and naphthenic mineral oil were considered in obtaining the exponent in the dimensionless materials parameter. The radius ratio was varied from 0.2 to 64 (a configuration approaching a line contact). Forty-one cases were used in obtaining a minimum film thickness formula. Contour plots indicate in detail the pressure developed between the contacting solids.

Jeng, Yeau-Ren↗

High-throughput phase-field simulations and machine learning of resistive switching in resistive random-access memory

Metal oxide-based Resistive Random-Access Memory (RRAM) exhibits multiple resistance states, arising from the activation/deactivation of a conductive filament (CF) inside a switching layer. Understanding CF formation kinetics is critical to achieving optimal functionality of RRAM. Here a phase-field model is developed, based on materials properties determined by ab initio calculations, to investigate the role of electrical bias, heat transport and defect-induced Vegard strain in the resistive switching behavior, using MO 2- x systems such as HfO 2- x as a prototypical model system. It successfully captures the CF formation and resultant bipolar resistive switching characteristics. High-throughput simulations are performed for RRAMs with different material parameters to establish a dataset, based on which a compressed-sensing machine learning is conducted to derive interpretable analytical models for device performance (current on/off ratio and switching time) metrics in terms of key material parameters (electrical and thermal conductivities, Vegard strain coefficients). These analytical models reveal that optimal performance (i.e., high current on/off ratio and low switching time) can be achieved in materials with a low Lorenz number, a fundamental material constant. This work provides a fundamental understanding to the resistive switching in RRAM and demonstrates a computational data-driven methodology of materials selection for improved RRAM performance, which can also be applied to other electro-thermo-mechanical systems.

36 MATERIALS SCIENCE↗

Crystal plasticity including a phase-field deformation twinning model for the high-rate deformation of cyclotetramethylene tetranitramine

A new finite strain thermomechanical model for the high-rate deformation of the β-polymorph of cyclotetramethylene tetranitramine (β-HMX) has been developed and applied to simulations of plate impact experiments. The crystal plasticity model is based on a model developed previously for RDX (Luscher et al. 2017), which is extended to incorporate deformation twinning. Twinning during normal plate impacts is simulated with a phase-field twin model. First, material parameters governing the kinetics of dislocation slip are calibrated on the subset of simulations which had negative Schmid factors for the twin system. Second, a parametric study of the twin material parameters was performed to find suitable values. Overall, the results of the simulations with the phase-field twinning model are reported for impacts on several crystal orientations. We find that the twin growth decreases with increasing distance from the impact surface because of dissipation of the shock front via dislocation-mediated plasticity, and that the simulated interface velocity with and without phase-field twinning do not show appreciable differences. These modeling results suggest that the significance of twinning in β-HMX cannot be determined with traditional loading configurations and diagnostics.

36 MATERIALS SCIENCE↗

Basic mechanisms governing solar-cell efficiency

The efficiency of a solar cell depends on the material parameters appearing in the set of differential equations that describe the transport, recombination, and generation of electrons and holes. This paper describes the many basic mechanisms occurring in semiconductors that can control these material parameters.

Lindholm, F. A.↗

Strain energy of thermally stressed multilayer panels and its sensitivity coefficients

A study is made of the effect of lamination and material parameters of thermally stressed multilayer composite panels on the strain energy and its sensitivity coefficients obtained by the three-dimensional thermoelasticity model. The sensitivity coefficients measure the sensitivity of the strain energy to variations in the different lamination and material parameters of the panel. The strain energy and sensitivity coefficients obtained by the three-dimensional model are used as the basis for assessing the accuracy of the corresponding quantities obtained by two-dimensional first-order shear deformation theory. Numerical results are presented for antisymmetrically laminated angle-ply panels subjected to linear temperature variation through the thickness. The numerical results demonstrate the accuracy of the strain energy and its sensitivity coefficients obtained by the first-order shear deformation theory, for the range of parameters considered, and the importance of the particular terms in the strain energy, which vanish for single-layer panels.

Noor, Ahmed K.↗

Machine learning-enabled prediction of chemical durability of A 2 B 2 O 7 pyrochlore and fluorite

Pyrochlore-structure type and its derivative in a general formula A 2 B 2 O 7 (A = rare earth elements and actinides; B = Ti, Sn, Zr, Hf, Pb, Si, etc.) display excellent structural flexibility and rich crystal chemistry as promising nuclear waste form materials capable of immobilizing actinides and fission products. It is essential to understand these materials’ chemical durability and element release of radionuclides in order to evaluate their performance in near-field environment. However, it is a formidable grand technological challenge to experimentally perform durability testing across hundreds of thousands of possibilities resulting from their extreme compositional complexities due to cation substitutions at both A and B-sites. In this work, we demonstrate a machine learning approach to determine the key materials parameters and structural characteristics governing the leaching behaviors from a small set of selected compositions as model systems, enabling a science-based prediction of their chemical durability that can be extended to a wide range of chemical compositions. The combination of four key structural characteristics and materials parameters, including ionic radius size difference , ionic potential difference , electronegativity difference , and lattice parameter , creates features an optimized prediction of the chemical durability. Two machine learning models, linear regression and Kernel ridge regression models, are trained on the randomly-split training dataset derived from the experimentally-determined elemental release rates, and subsequently tested on the testing dataset. The predicted leaching rates from both machine learning models show an excellent agreement with the experimental data, demonstrating the feasibility of rapidly evaluating the material properties of new compositions. These results highlight the immense potential of synergizing informatics through machine learning-based models and well-controlled experiments of selected model systems to accelerate materials design and discovery with optimized compositions and performance of promising materials for effective nuclear waste management.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A methodology for experimentally based determination of gap shrinkage and effective lifetimes in the emitter and base of p-n junction solar cells and other p-n junction devices

An experimentally based methodology that determines the effective gap shrinkage and lifetime in the emitter of a p-n junction solar cell is described which provides an experimental means for assessing the importance of gap shrinkage relative to that of large recombination rates in the highly doped emitter. The base lifetime is also determined. The methodology pertains to a solar cell after the junction is formed, so that each material parameter determined includes the effects of the processing used in junction fabrication. The methodology consists of strategy and procedures for designing experiments and interpreting data consistently with the physical mechanisms governing device behavior. This careful linking to the device physics uncover the material parameters concealed in the data. To illustrate the procedures, they are applied to an n(+)-p solar cell having substrate resistivity of about 0.1 ohm-cm.

Lindholm, F. A.↗

Electrostatic Switching in Vertically Oriented Nanotubes for Nonvolatile Memory Applications

We have demonstrated electrostatic switching in vertically oriented nanotubes or nanofibers, where a nanoprobe was used as the actuating electrode inside an SEM. When the nanoprobe was manipulated to be in close proximity to a single tube, switching voltages between 10 V - 40 V were observed, depending on the geometrical parameters. The turn-on transitions appeared to be much sharper than the turn-off transitions which were limited by the tube-to-probe contact resistances. In many cases, stiction forces at these dimensions were dominant, since the tube appeared stuck to the probe even after the voltage returned to 0 V, suggesting that such structures are promising for nonvolatile memory applications. The stiction effects, to some extent, can be adjusted by engineering the switch geometry appropriately. Nanoscale mechanical measurements were also conducted on the tubes using a custom-built anoindentor inside an SEM, from which preliminary material parameters, such as the elastic modulus, were extracted. The mechanical measurements also revealed that the tubes appear to be well adhered to the substrate. The material parameters gathered from the mechanical measurements were then used in developing an electrostatic model of the switch using a commercially available finite-element simulator. The calculated pull-in voltages appeared to be in agreement to the experimentally obtained switching voltages to first order.

plasma-enhanced chemical vapor deposition (PECVD).↗

On the internal structure of the major satellites of the outer planets

The structures and thermal evolutions of the large icy-satellites of the outer solar system are considered. It is shown (for bodies comparable in size and mass to the Galilean satellites, having sizeable mass fraction of H2O, and with meteoritic abundances of radioactive materials contained within their silicate fractions) that the crust of solid ice over a liquid mantle predicted by conductive heat-transfer calculations is unstable to large-scale solid-state convection. For appropriate material parameters, convective heat-transfer rates are sufficient to freeze a large liquid mantle on a time scale that is short compared to the lifetime of the body. It is also concluded that the ice layer is convecting at the present time. A reevaluation of previous work, using improved values for material parameters and boundary conditions, reverses earlier conclusions and implies a rigid outer crust with resulting long-term stability of surface features to creep deformation. The combination of a rigid crust with active internal convection presents the additional possibility of surface features that are produced and maintained by dynamic internal processes.

Reynolds, R. T.↗

Estimating Weibull parameters for materials

The statistical analysis of strength and fracture of materials in general, with application to fiber composites are discussed. The weakest link model is considered in a fairly general form, and the resulting equations are demonstrated by using a Weibull distribution for flaws. This distribution appears naturally in a variety of problems, and therefore additional attention is devoted to analysis and statistical estimation connected with this distribution. Special working charts are included to facilitate interpretation of observed data and estimation of parameters. Implications of the size effect are considered for various kinds of flaw distributions. Failure and damage in a fiber-reinforced system are described. Some useful graphs are included for predicting the strength of such a system. Recent data on organic-fiber (PRD 49) composite material is analyzed by the Weibull distribution with the methods presented.

Robinson, E. Y.↗

Buoyancy-Driven Heat Transfer During Application of a Thermal Gradient for the Study of Vapor Deposition at Low Pressure Using and Ideal Gas

A mathematical model has been developed to determine heat transfer during vapor deposition of source materials under a variety of orientations relative to gravitational accelerations. The model demonstrates that convection can occur at total pressures as low as 10-2 mm Hg. Through numerical computation, using physical material parameters of air, a series of time steps demonstrates the development of flow and temperature profiles during the course of vapor deposition. These computations show that in unit gravity vapor deposition occurs by transport through a fairly complicated circulating flow pattern when applying heat to the bottom of the vessel with parallel orientation with respect to the gravity vector. The model material parameters for air predict the effect of kinematic viscosity to be of the same order as thermal diffusivity, which is the case for Prandtl number approx. 1 fluids. Qualitative agreement between experiment and the model indicates that 6-(2-methyl-4-nitroanilino)-2,4-hexadiyn-l-ol (DAMNA) at these pressures indeed approximates an ideal gas at the experiment temperatures, and may validate the use of air physical constants. It is apparent that complicated nonuniform temperature distribution in the vapor could dramatically affect the homogeneity, orientation, and quality of deposited films. The experimental test i's a qualitative comparison of film thickness using ultraviolet-visible spectroscopy on films generated in appropriately oriented vapor deposition cells. In the case where heating of the reaction vessel occurs from the top, deposition of vapor does not normally occur by convection due to a stable stratified medium. When vapor deposition occurs in vessels heated at the bottom, but oriented relative to the gravity vector between these two extremes, horizontal thermal gradients induce a complex flow pattern. In the plane parallel to the tilt axis, the flow pattern is symmetrical and opposite in direction from that where the vessel is positioned vertically. The ground-based experiments are sufficient preliminary tests of theory and should be of significant interest regarding vapor deposited films in microgravity.

Frazier, D. O.↗