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NASA NTRS1983

Stochastic differential equations and turbulent dispersion

Aspects of the theory of continuous stochastic processes that seem to contribute to an understanding of turbulent dispersion are introduced and the theory and philosophy of modelling turbulent transport is emphasized. Examples of eddy diffusion examined include shear dispersion, the surface layer, and channel flow. Modeling dispersion with finite-time scale is considered including the Langevin model for homogeneous turbulence, dispersion in nonhomogeneous turbulence, and the asymptotic behavior of the Langevin model for nonhomogeneous turbulence.

Durbin, P. A.↗

NASA NTRS1996

Modeling the Benchmark Active Control Technology Wind-Tunnel Model for Application to Flutter Suppression

This paper describes the formulation of a model of the dynamic behavior of the Benchmark Active Controls Technology (BACT) wind-tunnel model for application to design and analysis of flutter suppression controllers. The model is formed by combining the equations of motion for the BACT wind-tunnel model with actuator models and a model of wind-tunnel turbulence. The primary focus of this paper is the development of the equations of motion from first principles using Lagrange's equations and the principle of virtual work. A numerical form of the model is generated using values for parameters obtained from both experiment and analysis. A unique aspect of the BACT wind-tunnel model is that it has upper- and lower-surface spoilers for active control. Comparisons with experimental frequency responses and other data show excellent agreement and suggest that simple coefficient-based aerodynamics are sufficient to accurately characterize the aeroelastic response of the BACT wind-tunnel model. The equations of motion developed herein have been used to assist the design and analysis of a number of flutter suppression controllers that have been successfully implemented.

Waszak, Martin R.↗

NASA NTRS1991

Design for Validation

The use of computer hardware and software in life-critical applications, such as for civil air transports, demands the use of rigorous formal mathematical validation procedures. However, formal specification and verification will only be tractable if the system is designed in a manner that lends itself to formal methods. Likewise, accurate reliability analysis will only be tractable if the number of interacting components that must be individually included in a single reliability model is kept to a low number and if their failure behavior interactions can be modeled simply. Also, the system must be designed such that the system reliability does not directly depend on system parameters that cannot be accurately determined. This paper presents a design methodology based on the concept of designing a system in such a manner that it can be rigorously validated, or "design for validation."

Johnson, Sally C.↗

NASA NTRS2002

MISTE flight experiment status

The MISTE flight experiment has made significant scientific and technical progress in preparing for a future microgravity flight. We are collaborating with several theoretical modeling groups that have developed crossover (equation-of-state) models for predicting thermodynamic behavior near the liquid-gas critical point. Several of these models have already been used to test experimental measurements of the heat capacity at constant volume, isothermal susceptibility, and coexistence curve in the crossover region near the 3He liquid-gas critical point. A brief description of these models and a representative fit to experimental data will be presented. In collaboration with Mission Research Corporation, MISTE has been testing a new small pneumatic valve for use at low temperatures. The results of recent successful low temperature actuation tests will also be discussed.

critical phenomena liquid-gas critical point↗

NASA NTRS2015

Effects of Atomic-Scale Structure on the Fracture Properties of Amorphous Carbon - Carbon Nanotube Composites

The fracture of carbon materials is a complex process, the understanding of which is critical to the development of next generation high performance materials. While quantum mechanical (QM) calculations are the most accurate way to model fracture, the fracture behavior of many carbon-based composite engineering materials, such as carbon nanotube (CNT) composites, is a multi-scale process that occurs on time and length scales beyond the practical limitations of QM methods. The Reax Force Field (ReaxFF) is capable of predicting mechanical properties involving strong deformation, bond breaking and bond formation in the classical molecular dynamics framework. This has been achieved by adding to the potential energy function a bond-order term that varies continuously with distance. The use of an empirical bond order potential, such as ReaxFF, enables the simulation of failure in molecular systems that are several orders of magnitude larger than would be possible in QM techniques. In this work, the fracture behavior of an amorphous carbon (AC) matrix reinforced with CNTs was modeled using molecular dynamics with the ReaxFF reactive forcefield. Care was taken to select the appropriate simulation parameters, which can be different from those required when using traditional fixed-bond force fields. The effect of CNT arrangement was investigated with three systems: a single-wall nanotube (SWNT) array, a multi-wall nanotube (MWNT) array, and a SWNT bundle system. For each arrangement, covalent bonds are added between the CNTs and AC, with crosslink fractions ranging from 0-25% of the interfacial CNT atoms. The SWNT and MWNT array systems represent ideal cases with evenly spaced CNTs; the SWNT bundle system represents a more realistic case because, in practice, van der Waals interactions lead to the agglomeration of CNTs into bundles. The simulation results will serve as guidance in setting experimental processing conditions to optimize the mechanical properties of CNT composites.

Jensen, Benjamin D.↗

DOE OSTI2020

Comparison of plug flow and multi-node stratified tank modeling approaches regarding computational efficiency and accuracy

Residential water heaters contain water stratified by temperature-driven density differences. This implies that a water tank can reach a state in which the top and bottom sections have different temperatures, unless mixing happens. A high degree of thermal stratification can improve the efficiency of some water heaters, by saving the amount of energy required for the heat-up process. Studies of stratification became popular in the 1970s and it remains an active research topic today. The research has led to the development of different models and techniques to better predict and define a stratified tanks behavior. By comparing these models and techniques used previously to describe thermal stratification, the phenomenon could be better understood, exploited, and used to increase efficiency and thermal energy capacity in modern water tanks. From the existing models, we found the one-dimensional standard plug-flow and a multi node model to be appropriate for analyzing the processes of the heat up and cool-down in a water tank. These two models are based on energy balances. This work involved comparing the accuracy and computational effort needed to implement these models. To assess accuracy, we compared both types of existing models to experimental data (also collected in this work) which included a heat up process using an external heat pump. This external process included a layering process that has an eddy diffusivity at five times the rate of thermal diffusion. For this project, we implemented the models in MATLAB, the multi-paradigm numerical computing environment. We quantified model accuracy using the root mean squared error between modeled data and experimental data for six measured tank temperatures. Comparing the accuracy and the computational time taken to run the simulation provides a method to contrast the performance of each model and a way to rate it. The multi node model was run using from 6 to 96 spatial nodes; the plug flow model was run using 1 to 0.001 º C temperature bin sizes. Additionally, timesteps were varied from 4 to 236 s. The results quantify the tradeoff between accuracy and computational time, providing guidance for simulations to intelligently select the best model type and simulation parameters. This research can be used to validate the pre-existing models and possibly improve the modern water tank.

Bulnes, Fernando Karg↗

DOE OSTI2023

Interaction of Anisole on Alumina-Supported Ni and Mo Oxide Hydrodeoxygenation Catalysts

The conversion of biomass to transportation fuels and value-added chemicals is a promising method to reduce reliance on fossil fuels. Mo-based catalysts have been shown to be highly active in the hydrodeoxygenation of biomass-derived phenolic compounds. The catalyst active phase, surface species, and the effect of adding additional metals is not comprehensively understood. Here we compare the temperature-dependent adsorption behavior of the model compound anisole 2 on an alumina-supported mixed nickel molybdenum oxide catalyst with two reference catalysts of molybdenum oxide and nickel oxide. Raman spectroscopy showed that the catalysts contain significant amounts of molybdates and molybdoaluminates, in addition to NiMoO 4 in the nickel molybdenum catalyst and MoO 3 in the molybdenum-only catalyst. Using transmission infrared spectroscopy under a controlled environment, we find that anisole chemisorbed largely through the oxygen in the methoxy group to form surface-bound phenoxy and methoxy species on all the catalysts. Ambient pressure X-ray photoelectrons spectroscopy measurements of the catalysts in anisole vapor showed reduced Mo atoms are the binding sites. The surface interaction and removal temperature of these species varied with the metal composition. The MoO x component dominated the adsorption behavior in both MoO x and NiMoO x catalysts. The formation of new aromatics, including methylated rings, depended on Ni composition. Upon adding hydrogen to induce the hydrodeoxygenation of anisole, undesirable polynuclear aromatic species were quickly formed on the Mo-based catalysts. In conclusion, these results suggest that the molybdenum oxide controls the adsorption and reactivity of the surface species, with a cooperative effect by Ni.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Fuel Performance Modeling Plan to Support the Advance Gas Reactor Program

This report documents the current status of the fuel performance modeling initiative to support the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program in the development of tristructural-isotropic-coated fuel particles. It includes a brief summary of the codes that have been developed to support tristructural isotropic modeling along with a summary of the behavior of fuel particles during irradiation and the modeling used to capture these effects. In addition, this report identifies further modeling and material property needs for further development based on experience from previously performed AGR experiments. In general, the remaining activities to support fuel performance modeling for the AGR program include continued AGR experiment support for AGR-3/4 and AGR-5/6/7 as well as modeling improvements identified throughout the course of the program. These modeling improvements can be summarized as thermomechanical particle behavior and fission product transport. Additional modeling needs may be identified while processing the data collected during the AGR post-irradiation examination campaign and may lead to further improvements that are not included in this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

PSA 2025 Presentation: "Modeling and Sensitivity Analysis of a Generation IV Pebble Bed Reactor Using MELCOR 2.2"

Accompanying the advancement of reactor technologies is the need for computational modeling and simulation to predict their behavior under normal operating conditions and accident scenarios. New Generation IV reactor designs which employ non-conventional fuel have a particular need for modeling the behavior and release of radionuclides and other material from the fuel. In this work, MELCOR version 2.2, a system-level safety and accident scenario code developed by Sandia National Laboratories, was used to model a 200-MWth pebble bed modular reactor and calculate the inventories of circulating and deposited graphite, metal dust, and elemental components released from the fuel elements. A base case modeling the reactor under standard operating conditions was calculated using MELCOR and the inventories were extrapolated to 30 years of operation time using a logarithmic regression fit. A sensitivity analysis was also performed in which several key parameters for the base case model were modified to explore the effect of these changes on the inventories calculated by MELCOR. A set of transient scenario simulations for a depressurized loss of forced cooling (DLOFC) accident were also performed. The results of the sensitivity analysis and transient simulations are reported and discussed in relation to the modeling techniques used for this study.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Simulation-aided occupant-centric building design: A critical review of tools, methods, and applications

Occupants are active participants in their built environment, affecting its performance while simultaneously being affected by its design and indoor environmental conditions. With recent advances in computer modeling, simulation tools, and analysis techniques, topics such as human-building interactions and occupant behavior have gained significant interest in the literature given their premise of improving building design processes and operating strategies. In practice, the focus of occupant-centric literature has been mostly geared towards the latter (i.e., operation), leaving the implications on building design practices underexplored. This paper fills the gap by providing a critical review of existing studies applying computer-based modeling and simulation to guide occupant-centric building design. The reviewed papers are organized along four main themes, namely occupant-centric: (i) metrics of building performance, (ii) modeling and simulation approaches, (iii) design methods and applications, and (iv) supporting practices and mechanisms. Important barriers are identified for a more effective application of occupant-centric building design practices, including the limited consideration of metrics beyond energy efficiency (e.g., occupant well-being and space planning), the limited implementation and validation of the proposed methods, and the lack of integration of occupant behavior modeling in existing building performance simulation tools. Finally, future research directions are discussed, covering large-scale international data collection efforts to move from generic assumptions about occupant behavior to specific/localized knowledge, improved metrics of measuring building performance, and improved industry practices, such as building codes, to promote an occupant-in-the-loop approach to the building design process.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Multi-physics Modeling of Radiative Heat Transfer and Fluid Flow for the Reactor Cavity Cooling System

High-temperature gas-cooled reactors (HTGRs) are notable for their high thermal efficiency and potential for combined heat and power applications. These reactors are particularly appealing due to their advanced passive safety features. HTGRs utilize passive safety systems that function without requiring active components like pumps or compressors during emergencies. These reactor designs depend on a Reactor Cavity Cooling System (RCCS) to manage decay heat removal from the reactor pressure vessel (RPV) during accident conditions. The RCCS consists of vertical rectangular channels known as "risers" or riser ducts positioned around the RPV. These risers receive heat from the RPV through both convective and radiative heat transfer mechanisms. Understanding the interplay of multiple physical phenomena, such as fluid dynamics, heat transfer, and neutron interactions, is essential for the effective design and operation of nuclear reactors, particularly for systems like the RCCS. Multi-physics simulations provide a comprehensive approach to studying these interactions, offering detailed insights and enhancing accuracy. They are especially important in RCCS designs, where the interaction between radiative and convective heat transfer can significantly impact system performance. By leveraging multi-physics simulations, complex reactor behaviors can be modeled without compromising the fidelity of the underlying physical processes. This work aims to establish a robust methodology for coupling multiple physical processes in an air-cooled RCCS. By focusing on validating this multi-physics approach, the study involves designing test cases that simulate various conditions to verify the numerical models employed. The outcomes of this research will provide critical insights for accurately modeling and optimizing complex nuclear systems like the RCCS.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2011

Stardust-NExT, Deep Impact, and the Accelerating Spin of 9P/Tempel One

The evolution of the spin rate of comet 9P/Tempel 1 through two perihelion passages (CYs 2000 and 2005) is determined from 1922 Earth-based observations taken over a period of 13y as part of a World-Wide observing campaign and 2888 observations taken over a period of 50d from the Deep Impact spacecraft. We determine the following sidereal spin rates (periods): 209.023 +/- 0.025 degrees /day (41.335 +/- 0.005 h) prior to the 2000 perihelion passage, 210.448 +/- 0.016 degrees/day (41.055 +/- 0.003 h) for the interval between the 2000 and 2005 perihelion passages, 211.856 +/- 0.030 degrees/day (40.783 +/- 0.006 h) from Deep Impact photometry just prior to the 2005 perihelion passage, and 211.625 +/- 0.012 degrees /day (40.827 +/- 0.002 h) in the interval 2006-2010 following the 2005 perihelion passage. The period decreased by 16.8 +/- 0.3 min during the 2000 passage and by 13.7 +/- 0.2 min during the 2005 passage suggesting a secular decrease in the net torque. The change in spin rate is asymmetric with respect to perihelion with the maximum net torque being applied on approach to perihelion. The Deep Impact data alone show that the spin rate was increasing at a rate of 0.024 +/- 0.003 degree/d/d at JD2453530.60510 (i.e., 25.134 d before impact) and provides independent confirmation of the change seen in the Earth-based observations. The rotational phase of the nucleus at times before and after each perihelion and at the Deep Impact encounter is estimated based on the Thomas et al. pole and longitude system. The possibility of a 180 degree error in the rotational phase is assessed and found to be significant. Analytical and physical modeling of the behavior of the spin rate through of each perihelion is presented and used as a basis to predict the rotational state of the nucleus at the time of the nominal (i.e., prior to February 2010) Stardust-NExT encounter on 2011 February 14 20:42. We find that a net torque in the range of 0.3 - 2.5 x 10(exp 7) kg.square m2/square s acts on the nucleus during perihelion passage. The spin rate initially slows down on approach to perihelion and then passes through a minimum. It then accelerates rapidly as it passes through perihelion eventually reaching a maximum post-perihelion. It then decreases to a stable value as the nucleus moves away from the sun. We find that the pole direction is unlikely to precess by more than approximately 1 degree/perihelion passage. The trend of the period with time and the fact that the modeled peak torque that occurs before perihelion is in agreement with published accounts of trends in water production rate and suggests that widespread H2O out-gassing from the surface is largely responsible for the observed spin-up.

Belton, Michael J. S.↗

NASA NTRS2011

Stardust-NExT, Deep Impact, and the Accelerating Spin of 9P/Tempel 1

The evolution of the spin rate of Comet 9P/Tempel 1 through two perihelion passages (in 2000 and 2005) is determined from 1922 Earth-based observations taken over a period of 13 year as part of a World-Wide observing campaign and from 2888 observations taken over a period of 50 days from the Deep Impact spacecraft. We determine the following sidereal spin rates (periods): 209.023 +/- 0.025deg/dy (41.335 0.005 h) prior to the 2000 perihelion passage, 210.448 +/- 0.016deg/dy (41.055 +/- 0.003 h) for the interval between the 2000 and 2005 perihelion passages, 211.856 +/- 0.030deg/dy (40.783 +/- 0.006 h) from Deep Impact photometry just prior to the 2005 perihelion passage, and 211.625 +/- 0.012deg/dy (40.827 +/- 0.002 h) in the interval 2006-2010 following the 2005 perihelion passage. The period decreased by 16.8 +/- 0.3 min during the 2000 passage and by 13.7 +/- 0.2 min during the 2005 passage suggesting a secular decrease in the net torque. The change in spin rate is asymmetric with respect to perihelion with the maximum net torque being applied on approach to perihelion. The Deep Impact data alone show that the spin rate was increasing at a rate of 0.024 +/- 0.003deg/dy/dy at JD2453530.60510 (i.e., 25.134 dy before impact), which provides independent confirmation of the change seen in the Earth-based observations. The rotational phase of the nucleus at times before and after each perihelion and at the Deep Impact encounter is estimated based on the Thomas et al. (Thomas et al. [2007]. Icarus 187, 4-15) pole and longitude system. The possibility of a 180deg error in the rotational phase is assessed and found to be significant. Analytical and physical modeling of the behavior of the spin rate through of each perihelion is presented and used as a basis to predict the rotational state of the nucleus at the time of the nominal (i.e., prior to February 2010) Stardust-NExT encounter on 2011 February 14 at 20:42. We find that a net torque in the range of 0.3-2.5 x 10(exp 7) kg/sq m/sq s acts on the nucleus during perihelion passage. The spin rate initially slows down on approach to perihelion and then passes through a minimum. It then accelerates rapidly as it passes through perihelion eventually reaching a maximum post-perihelion. It then decreases to a stable value as the nucleus moves away from the Sun. We find that the pole direction is unlikely to precess by more than approx. 1deg per perihelion passage. The trend of the period with time and the fact that the modeled peak torque occurs before perihelion are in agreement with published accounts of trends in water production rate and suggests that widespread H2O out-gassing from the surface is largely responsible for the observed spin-up.

Belton, Michael J. S.↗

DOE OSTI2021

Thermomechanical and sequential stress performance of photovoltaic backsheets

Photovoltaic backsheet technology is utilized to protect the interior components of solar modules from environmental stress as well as provide electrical insulation to the module. The growing demand for solar energy and longer module service life requirements have brought backsheet performance into focus. Despite being a protective packaging material, many backsheets have exhibited failure in the field, limiting the performance and service life of entire modules. Most backsheets consist of multiple polymeric layers laminated together using adhesives. A new backsheet, with a high performance polyamide structure, has been developed as the solution to module failure. Primarily, it contains a unique polyamide-ionomer alloy targeted at improved weather resistance. In this study, several photovoltaic industry standard backsheets, and the novel polyamide compositions of multilayered backsheets fabricated from the coextrusion process, were examined using thermomechanical analysis (TMA). The coefficient of thermal expansion (CTE) for entire backsheets and their constituent layers was used to model the thermomechanical behavior of various backsheet constructions. Subsequently, thermal cycling was performed in the TMA to examine the intrinsic thermal behavior of the backsheets. Thermal cycling in the TMA indicates the resilience and dimensional stability in the coextruded structures as opposed to the laminated structures. Lastly, results from a Module Accelerated Sequential Testing (MAST), are included to show the mechanical integrity of these backsheets after sequential exposure to stressors including damp heat, ultra-violet (UV) light radiation, and thermal cycling. The laminate backsheets deteriorated extensively after sequential exposure to these stressors, while the novel coextruded structures retained their physical properties.

14 SOLAR ENERGY↗

DOE OSTI2020

EXPERIMENTAL INVESTIGATION OF IMPACT AND ABRASION EROSIONS AT LOW VELOCITIES AND COMPARISON TO CFD SIMULATIONS

Wear and erosion damage of materials due to interaction of the surface with solid particles is a major issue in various industries. This phenomenon is common in mining, and oil and gas production, causing damages worth millions of dollars annually. Erosion is becoming a critical issue in renewable technologies as well such as concentrated solar thermal power (CSP) systems. In some CSP systems, solid particles can be used to absorb solar energy and enhance the heat storage. However, these particles may cause significant amount of wear to system components while falling down the power tower at high temperatures. This damage can be costly, and therefore, investigating solid particle erosion in CSP systems is of utmost importance. In collaboration with Sandia National Laboratories, the erosion durability of particle-based Generation 3 (GEN3) CSP system are being investigated both experimentally and numerically. In order to develop models to predict the life time of such systems, erosion under low temperature and low particle impact velocity conditions are investigated. Impact erosion and abrasion erosion experiments are conducted for low velocity and low temperature conditions for various candidate particles and containment materials. The impact erosion testing is conducted for three different containment material including Stainless Steel 316, special refractory material, and Inconel 740H with CARBOBEAD HSP 40/70 ceramic particles and UNIWEST 430 silica quartz erodent particles. All this data will enable us to better model the erosion behavior of these materials and provides a data base to investigate erosion at high temperatures experienced in CSP systems. At low temperatures and low velocities the softer refractory material exhibited greater erosion by an order-of-magnitude when compared to the harder Inconel 740H and Stainless Steel 316 materials. The overall erosion ratio for all the candidate materials was of the order of 10 -7 kg/kg. We also investigated wear in containment materials from sliding of particles over the surfaces at very low angles, also referred to as abrasion. For the velocities expected in a typical 1MW CSP plant, visible surface wear was noted, but the overall mass loss per unit surface area was found to be dependent on the hardness of the containment material tested. In this manuscript, we also present Computational Fluid Dynamics (CFD) simulations and erosion prediction of low velocity impact erosion. These results are compared with the experimental data to evaluate the ability of available erosion models for predicting erosion under these conditions.

14 SOLAR ENERGY↗

NASA NTRS1993

Upper Atmosphere Research Satellite attitude disturbances during shadow entry and exit

The Upper Atmosphere Research Satellite (UARS), as with the Landsat-4 and Landsat-5 spacecraft, experiences large attitude disturbances when entering and exiting the Earth's shadow. Previous investigations have provided some evidence linking these disturbances to rapid bending of the solar array but have also raised questions. For example, the magnitudes of the roll attitude disturbances have shown an unmolested asymmetry, and the timing of the disturbances at sunrise appears to disagree with the modeled timing. A better understanding of this phenomenon is important in assessing the implications for UARS science gathering and for future mission design analysis. To this end, UARS attitude, sensor, and actuator data are used to evaluate the disturbances as they vary with solar beta angle and solar array drive angle. The attitude data are examined during specific periods of interest, such as the month in which the solar array was parked in its high-noon position, and are also tracked from the beginning of the mission to determine any trends that may result from changing mass properties due to cryogen boiloff and propellant usage. Attitude rate and torque profiles are derived from inertial reference until data and related to the disturbances seen in the attitude data. The timing of the disturbances with respect to spacecraft sunset and sunrise is characterized to allow event predictions. Stability during the disturbances is discussed in terms of science instrument requirements. Finally, the results are compared with the behavior predicted by models that are based on solar array bending.

Lambertson, M.↗

DOE OSTI2024

When and Where Lithium Plating Occurs, Its Correlation with Microstructure Heterogeneity, and the Mechanisms That Initiate and Self-Regulate Electrochemical Heterogeneity (A02-0444)

A microstructure scale electrochemical LIB model was used to investigate lithium plating onset, material non-uniform utilization, and in-plane heterogeneities for an NMC-graphite full cell. Model predicts active material particle surface roughness and size distribution (respectively, non-uniform curvature within and between particles) initiate in-plane heterogeneity, and that particle size heterogeneity at the separator interface controls the lithium plating preferential deposition ("Where"). These in-plane heterogeneities are then exacerbated by through-plane heterogeneities induced at fast charge as electrolyte depletion occurs and concentrates intercalation reaction near the anode-separator interface. Also, magnitude and occurrence of lithium plating is controlled by effective, or macroscale, microstructure parameters ("When"). As local states of charge start to diverge between nearby active material regions, overpotential differences induced by OCP difference kick in and contribute to reduce these SOC local heterogeneities. However, for staged materials such as graphite, with OCP profile alternating between plateaus and varying regions, this balancing mechanism is, respectively, inactive and active. This leads to a dynamic, non-monotonic, in-plane heterogeneity time evolution for state of charge and Faraday current density, for which their respective in-plane heterogeneity magnitude alternates. Such behavior has been modeled both for the whole electrode at the microstructure scale and at the particle scale. In-plane heterogeneities are usually considered to be detrimental, as they result in material non-uniform utilization (i.e., under and over stressed regions) and earlier degradations. However, this work provides a more granular approach as it discriminates between a harmful in-plane heterogeneity (non-uniform curvature) that triggers SOC in-plane heterogeneity, and a beneficial in-plane heterogeneity (Faraday current density) that contributes to reduce SOC in-plane heterogeneity. This work comprehensively explains the mechanisms that initiate, exacerbate, and regulate heterogeneity at the microstructure scale, while providing some design suggestions to reduce both in-plane and through-plane heterogeneities, as summarized in the graphical abstract.

ADVANCED PROPULSION SYSTEMS↗

NASA NTRS2014

Multi-Scale Computational Modeling of Two-Phased Metal Using GMC Method

A multi-scale computational model for determining plastic behavior in two-phased CMSX-4 Ni-based superalloys is developed on a finite element analysis (FEA) framework employing crystal plasticity constitutive model that can capture the microstructural scale stress field. The generalized method of cells (GMC) micromechanics model is used for homogenizing the local field quantities. At first, GMC as stand-alone is validated by analyzing a repeating unit cell (RUC) as a two-phased sample with 72.9% volume fraction of gamma'-precipitate in the gamma-matrix phase and comparing the results with those predicted by finite element analysis (FEA) models incorporating the same crystal plasticity constitutive model. The global stress-strain behavior and the local field quantity distributions predicted by GMC demonstrated good agreement with FEA. High computational saving, at the expense of some accuracy in the components of local tensor field quantities, was obtained with GMC. Finally, the capability of the developed multi-scale model linking FEA and GMC to solve real life sized structures is demonstrated by analyzing an engine disc component and determining the microstructural scale details of the field quantities.

nickel alloys↗