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Improvements in the Scalability of the NASA Goddard Multiscale Modeling Framework for Hurricane Climate Studies

Improving our understanding of hurricane inter-annual variability and the impact of climate change (e.g., doubling CO2 and/or global warming) on hurricanes brings both scientific and computational challenges to researchers. As hurricane dynamics involves multiscale interactions among synoptic-scale flows, mesoscale vortices, and small-scale cloud motions, an ideal numerical model suitable for hurricane studies should demonstrate its capabilities in simulating these interactions. The newly-developed multiscale modeling framework (MMF, Tao et al., 2007) and the substantial computing power by the NASA Columbia supercomputer show promise in pursuing the related studies, as the MMF inherits the advantages of two NASA state-of-the-art modeling components: the GEOS4/fvGCM and 2D GCEs. This article focuses on the computational issues and proposes a revised methodology to improve the MMF's performance and scalability. It is shown that this prototype implementation enables 12-fold performance improvements with 364 CPUs, thereby making it more feasible to study hurricane climate.

Shen, Bo-Wen

Multiscale Modeling of Damage Processes in Aluminum Alloys: Grain-Scale Mechanisms

This paper has two goals related to the development of a physically-grounded methodology for modeling the initial stages of fatigue crack growth in an aluminum alloy. The aluminum alloy, AA 7075-T651, is susceptible to fatigue cracking that nucleates from cracked second phase iron-bearing particles. Thus, the first goal of the paper is to validate an existing framework for the prediction of the conditions under which the particles crack. The observed statistics of particle cracking (defined as incubation for this alloy) must be accurately predicted to simulate the stochastic nature of microstructurally small fatigue crack (MSFC) formation. Also, only by simulating incubation of damage in a statistically accurate manner can subsequent stages of crack growth be accurately predicted. To maintain fidelity and computational efficiency, a filtering procedure was developed to eliminate particles that were unlikely to crack. The particle filter considers the distributions of particle sizes and shapes, grain texture, and the configuration of the surrounding grains. This filter helps substantially reduce the number of particles that need to be included in the microstructural models and forms the basis of the future work on the subsequent stages of MSFC, crack nucleation and microstructurally small crack propagation. A physics-based approach to simulating fracture should ultimately begin at nanometer length scale, in which atomistic simulation is used to predict the fundamental damage mechanisms of MSFC. These mechanisms include dislocation formation and interaction, interstitial void formation, and atomic diffusion. However, atomistic simulations quickly become computationally intractable as the system size increases, especially when directly linking to the already large microstructural models. Therefore, the second goal of this paper is to propose a method that will incorporate atomistic simulation and small-scale experimental characterization into the existing multiscale framework. At the microscale, the nanoscale mechanics are represented within cohesive zones where appropriate, i.e. where the mechanics observed at the nanoscale can be represented as occurring on a plane such as at grain boundaries or slip planes at a crack front. Important advancements that are yet to be made include: 1. an increased fidelity in cohesive zone modeling; 2. a means to understand how atomistic simulation scales with time; 3. a new experimental methodology for generating empirical models for CZMs and emerging materials; and 4. a validation of simulations of the damage processes at the nano-micro scale. With ever-increasing computer power, the long-term ability to employ atomistic simulation for the prognosis of structural components will not be limited by computation power, but by our lack of knowledge in incorporating atomistic models into simulations of MSFC into a multiscale framework.

Hochhalter, J. D.

An Overview of the State of the Art in Atomistic and Multiscale Simulation of Fracture

The emerging field of nanomechanics is providing a new focus in the study of the mechanics of materials, particularly in simulating fundamental atomic mechanisms involved in the initiation and evolution of damage. Simulating fundamental material processes using first principles in physics strongly motivates the formulation of computational multiscale methods to link macroscopic failure to the underlying atomic processes from which all material behavior originates. This report gives an overview of the state of the art in applying concurrent and sequential multiscale methods to analyze damage and failure mechanisms across length scales.

Saether, Erik

Micromechanics-Based Structural Analysis (FEAMAC) and Multiscale Visualization within Abaqus/CAE Environment

A unified framework is presented that enables coupled multiscale analysis of composite structures and associated graphical pre- and postprocessing within the Abaqus/CAE environment. The recently developed, free, Finite Element Analysis--Micromechanics Analysis Code (FEAMAC) software couples NASA's Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC) with Abaqus/Standard and Abaqus/Explicit to perform micromechanics based FEA such that the nonlinear composite material response at each integration point is modeled at each increment by MAC/GMC. The Graphical User Interfaces (FEAMAC-Pre and FEAMAC-Post), developed through collaboration between SIMULIA Erie and the NASA Glenn Research Center, enable users to employ a new FEAMAC module within Abaqus/CAE that provides access to the composite microscale. FEA IAC-Pre is used to define and store constituent material properties, set-up and store composite repeating unit cells, and assign composite materials as sections with all data being stored within the CAE database. Likewise FEAMAC-Post enables multiscale field quantity visualization (contour plots, X-Y plots), with point and click access to the microscale i.e., fiber and matrix fields).

Arnold, Steven M.

Multiscale Cloud System Modeling

The central theme of this paper is to describe how cloud system resolving models (CRMs) of grid spacing approximately 1 km have been applied to various important problems in atmospheric science across a wide range of spatial and temporal scales and how these applications relate to other modeling approaches. A long-standing problem concerns the representation of organized precipitating convective cloud systems in weather and climate models. Since CRMs resolve the mesoscale to large scales of motion (i.e., 10 km to global) they explicitly address the cloud system problem. By explicitly representing organized convection, CRMs bypass restrictive assumptions associated with convective parameterization such as the scale gap between cumulus and large-scale motion. Dynamical models provide insight into the physical mechanisms involved with scale interaction and convective organization. Multiscale CRMs simulate convective cloud systems in computational domains up to global and have been applied in place of contemporary convective parameterizations in global models. Multiscale CRMs pose a new challenge for model validation, which is met in an integrated approach involving CRMs, operational prediction systems, observational measurements, and dynamical models in a new international project: the Year of Tropical Convection, which has an emphasis on organized tropical convection and its global effects.

Tao, Wei-Kuo

Effects of Subscale Size and Shape on Global Energy Dissipation in a Multiscale Model of a Fiber-Reinforced Composite Exhibiting Post-Peak Strain Softening Using Abaqus and FEAMAC

A mesh objective crack band model is implemented in the generalized method of cells (GMC) micromechanics model to predict failure of a composite repeating unit cell (RUC). The micromechanics calculations are achieved using the MAC/GMC core engine within the ImMAC suite of micromechanics codes, developed at the NASA Glenn Research Center. The microscale RUC is linked to a macroscale Abaqus/Standard finite element model using the FEAMAC multiscale framework (included in the ImMAC suite). The effects of the relationship between the characteristic length of the finite element and the size of the microscale RUC on the total energy dissipation of the multiscale model are investigated. A simple 2-D composite square subjected to uniaxial tension is used to demonstrate the effects of scaling the dimensions of the RUC such that the length of the sides of the RUC are equal to the characteristic length of the finite element. These results are compared to simulations where the size of the RUC is fixed, independent of the element size. Simulations are carried out for a variety of mesh densities and element shapes, including square and triangular. Results indicate that a consistent size and shape must be used to yield preserve energy dissipation across the scales.

Pineda, Evan, J.

Multiscale Modeling of Ceramic Matrix Composites

Results of multiscale modeling simulations of the nonlinear response of SiC/SiC ceramic matrix composites are reported, wherein the microstructure of the ceramic matrix is captured. This micro scale architecture, which contains free Si material as well as the SiC ceramic, is responsible for residual stresses that play an important role in the subsequent thermo-mechanical behavior of the SiC/SiC composite. Using the novel Multiscale Generalized Method of Cells recursive micromechanics theory, the microstructure of the matrix, as well as the microstructure of the composite (fiber and matrix) can be captured.

ceramic matrix composites

Vision 2040: A Roadmap for Integrated, Multiscale Modeling and Simulation of Materials and Systems

Over the last few decades, advances in high-performance computing, new materials characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) and additive manufacturing have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. While these advances have driven significant progress in the development of aerospace components and systems, that progress has been limited by persistent technology and infrastructure challenges that must be overcome to realize the full potential of integrated materials and systems design and simulation modeling throughout the supply chain. As a result, NASA's Transformational Tools and Technology (TTT) Project sponsored a study (performed by a diverse team led by Pratt & Whitney) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. This report describes the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); identified gaps and actions to close those gaps; and major recommendations) which constitutes a community consensus document as it is a result of over 450 professionals input obtain via: 1) four society workshops (AIAA, NAFEMS, and two TMS), 2) community-wide survey, and 3) the establishment of 9 expert panels (one per KE) consisting on average of 10 non-team members from academia, government and industry to review, update content, and prioritize gaps and actions. The study envisions the development of a cyber-physical-social ecosystem comprised of experimentally verified and validated computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of fit-for-purpose materials, components, and systems. Although the vision focused on aeronautics and space applications, it is believed that other engineering communities (e.g., automotive, biomedical, etc.) can benefit as well from the proposed framework with only minor modifications. Finally, it is TTT's hope and desire that this vision provides the strategic guidance to both public and private research and development decision makers to make the proposed 2040 vision state a reality and thereby provide a significant advancement in the United States global competitiveness.

multi-scale modeling

Multiscale Studies of the Three-Dimensional Dayside X-Line

We review recent experience from the Cluster, Double Star, and THEMIS missions for lessons that apply to the upcoming Magnetospheric Multiscale Mission (MMS) being developed for launch in 2014. On global scales, simulation and statistical studies lead to mean congurations of dayside reconnection, implying specific relative alignments of the inflow magnetic fields and X-line, with implications for MMS operations designed to maximize the number of close encounters with the diffusion region. At intermediate MHD-to-ion scales, reconstruction of features created by one or two X-lines have developed to the point where data from a cluster of spacecraft can determine their temporal trends and the approximate three-dimensional X-line structure. Recent petascale particle-in-cell (PIC) simulations of reconnection encompass three spatial dimensions with excellent resolution, and make striking predictions of electron scale physics that creates complex interacting flux ropes under component reconnection. High time resolution measurements from MMS will determine the detailed electron scale kinetics embedded within the global and MHDion scale contexts. These developments will lead to the refinement of our three-dimensional multiscale picture of reconnection, yielding improved understanding of the global, MHD, and local physics controlling the onset or quenching, variability, and mean rate of reconnection. This in turn will enable improved predictability of the structural features created by transient reconnection, and their space weather consequences.

Reconnection

Magnetospheric Multiscale Mission Observations of Reconnecting Electric Fields in the Magnetotail on Kinetic Scales

We examine the role of ions and electrons in reconnection using the highest resolution observations from the Magnetospheric Multiscale mission on kinetic ion and electron scales. We report magnetic field and plasma observations from several approaches to the electron diffusion region in the current sheet in 2018. Besides magnetic field reversals, changes in the direction of flow velocity, ion and electron heating, Magnetospheric Multiscale observed large fluctuations in the electron flow speeds in the magnetotail. We have verified that when the field lines and plasma become decoupled, a large reconnecting electric field related to the Hall current (1–10 mV/m) is responsible for fast reconnection in the ion diffusion region. Although inertial acceleration forces remain moderate (1–2 mV/m), the electric fields resulting from the electron pressure tensor provide the main contribution to the generalized Ohm's law at the neutral sheet (as large as 200 mV/m). This illustrates that when ions decouple electron physics dominates.

Macek, W. M.

Regional Tropical Aboveground Biomass Mapping with L-Band Repeat-Pass Interferometric Radar, Sparse Lidar, and Multiscale Superpixels

We introduce a multiscale superpixel approach that leverages repeat-pass interferometric coherence and sparse AGB estimates from a simulated spaceborne lidar in order to extend the NISAR mission’s applicable range of aboveground biomass (AGB) in tropical forests. Airborne and spaceborne L-band radar and full-waveform airborne lidar data are used to simulate the NISAR and GEDI mission, respectively. In addition to UAVSAR data, we use spaceborneALOS-2/PALSAR-2 imagery with 14-day temporal baseline, which is comparable to NISAR’s 12-daybaseline. Our reference AGB maps are derived from the airborne LVIS data during the AfriSAR campaign for three sites (Mondah, Ogooue, and Lope). Each tropical site has mean AGB of at least 125 Mg/ha in addition to areas with AGB exceeding 700 Mg/ha. Spatially sampling from these LVIS-derived AGB reference maps, we approximate GEDI AGB estimates. To evaluate our methodology, we perform several different analyses. First, we partition each study site into low(≤100 Mg/ha) and high (>100 Mg/ha) AGB areas, in conformity with the NISAR mission requirement to provide AGB estimates for forests between 0 and 100 Mg/ha with a RMSE below 20 Mg/ha. In the low AGB areas, this RMSE requirement is satisfied in Lope and Mondah and it fell short of the requirement in Ogooue by less 3 Mg/ha with UAVSAR and 6 Mg/ha with PALSAR-2. We note that our maps have finer spatial resolution (50 m) than NISAR requires (1 hectare). In the high AGB areas, the normalized RMSE increases to 51% (i.e.,<90 Mg/ha), but with negligible bias for all three sites. Second, we train a single model to estimate AGB across both high and low AGB regimes simultaneously and obtain a normalized RMSE that is<60% (or<100 Mg/ha). Lastly, we show the use of both (a) multiscale superpixels and (b) interferometric coherence significantly improves the accuracy of the AGB estimates. The InSAR coherence improved the RMSE by approximately 8% at Mondah with both sensors, lowering the RMSE from 59 Mg/ha to 47.4 Mg/h with UAVSAR and from 57.1 Mg/ha to 46 Mg/ha. This work illustrates one of the numerous synergistic relationships between the spaceborne lidars, such as GEDI, with L-band SAR, such as PALSAR-2 and NISAR, in order to produce robust regional AGB in high biomass tropical regions.

NISAR

Advanced Materials for the Lunar Surface: Multiscale Computational Design of Refractory Alloys and Carbides

Emerging operational environments, such as the lunar surface, present novel challenges for NASA and drive the need for advanced materials in applications like fission surface power systems. To address these demands, computational materials science is rapidly evolving to augment or replace costly and hazardous empirical testing. Although materials selection at NASA remains predominantly experimentally driven, advanced simulation methodologies are being steadily integrated into the engineering lifecycle. This work details the application of multiscale simulation techniques—including first-principles calculations, CALPHAD, dislocation dynamics, and molecular dynamics—at NASA's Ames Research Center to evaluate advanced materials for extreme environments. First, we present contributions to the Space Nuclear Propulsion Project. Be-cause propellant channel coatings in nuclear thermal rockets must withstand high-pressure, high-temperature hydro-gen, optimizing these materials is critical. First-principles calculations were employed to establish a rigorous quantitative and qualitative understanding of the behavior of the refractory carbides ZrC, NbC, and their mixtures in high-enthalpy hydrogen environments. This necessitated the generation of high-fidelity thermodynamic models for both stoichiometric and carbon-depleted carbides, both with and without the presence of hydrogen. Furthermore, we highlight efforts under the Refractory Alloy Additive Manufacturing Build Optimization (RAAMBO) project, where existing and novel alloy compositions were assessed for additive manufacturing printability and subsequent performance in applications such as heat pipes and rocket nozzle extensions. This was accomplished through a comprehensive multiscale simulation framework that bridged the gap from the nanometer to the millimeter scale. Across both initiatives, rigorous validation against empirical data was prioritized. By systematically employing a verified and validated computational frame-work, we demonstrate how simulation effectively supports multidisciplinary engineering efforts, builds project-wide confidence, and drives critical materials development.

computational materials

The Effect of Fiber Strength Stochastics and Local Fiber Volume Fraction on Multiscale Progressive Failure of Composites

Continuous fiber unidirectional polymer matrix composites (PMCs) can exhibit significant local variations in fiber volume fraction as a result of processing conditions that can lead to further local differences in material properties and failure behavior. In this work, the coupled effects of both local variations in fiber volume fraction and the empirically-based statistical distribution of fiber strengths on the predicted longitudinal modulus and local tensile strength of a unidirectional AS4 carbon fiber/ Hercules 3502 epoxy composite were investigated using the special purpose NASA Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC); local effective composite properties were obtained by homogenizing the material behavior over repeating units cells (RUCs). The predicted effective longitudinal modulus was relatively insensitive to small (~8%) variations in local fiber volume fraction. The composite tensile strength, however, was highly dependent on the local distribution in fiber strengths. The RUC-averaged constitutive response can be used to characterize lower length scale material behavior within a multiscale analysis framework that couples the NASA code FEAMAC and the ABAQUS finite element solver. Such an approach can be effectively used to analyze the progressive failure of PMC structures whose failure initiates at the RUC level. Consideration of the effect of local variations in constituent properties and morphologies on progressive failure of PMCs is a central aspect of the application of Integrated Computational Materials Engineering (ICME) principles for composite materials.

multiscale analysis

The Geometric Factor of Electrostatic Plasma Analyzers: A Case Study from the Fast Plasma Investigation for the Magnetospheric Multiscale mission

We report our findings comparing the geometric factor (GF) as determined from simulations and laboratory measurements of the new Dual Electron Spectrometer (DES) being developed at NASA Goddard Space Flight Center as part of the Fast Plasma Investigation on NASA's Magnetospheric Multiscale mission. Particle simulations are increasingly playing an essential role in the design and calibration of electrostatic analyzers, facilitating the identification and mitigation of the many sources of systematic error present in laboratory calibration. While equations for laboratory measurement of the Geometric Factpr (GF) have been described in the literature, these are not directly applicable to simulation since the two are carried out under substantially different assumptions and conditions, making direct comparison very challenging. Starting from first principles, we derive generalized expressions for the determination of the GF in simulation and laboratory, and discuss how we have estimated errors in both cases. Finally, we apply these equations to the new DES instrument and show that the results agree within errors. Thus we show that the techniques presented here will produce consistent results between laboratory and simulation, and present the first description of the performance of the new DES instrument in the literature.

Magnetospheric Multiscale Mission

Launch Window Analysis for the Magnetospheric Multiscale Mission

The NASA Magnetospheric Multiscale (MMS) mission will fly four spinning spacecraft in formation in highly elliptical orbits to study the magnetosphere of the Earth. This paper describes the development of an MMS launch window tool that uses the orbitaveraged Variation of Parameter equations as the basis for a semi-analytic quantification of the dominant oblateness and lunisolar perturbation effects on the MMS orbit. This approach, coupled with a geometric interpretation of all of the MMS science and engineering constraints, allows a scan of 180(sup 2) = 32,400 different (RAAN, AOP) pairs to be carried out for a specified launch day in less than 10 s on a typical modern laptop. The resulting plot indicates the regions in (RAAN, AOP) space where each constraint is satisfied or violated: their intersection gives, in an easily interpreted graphical manner, the final solution space for the day considered. This tool, SWM76, is now used to provide launch conditions to the full fidelity (but far slower) MMS simulation code: very good agreement has been observed between the two methods.

MAGNETOSPHERIC

Orbit Determination Accuracy Analysis of the Magnetospheric Multiscale Mission During Perigee Raise

The Goddard Space Flight Center (GSFC) Flight Dynamics Facility (FDF) will provide orbit determination and prediction support for the Magnetospheric Multiscale (MMS) mission during the mission's commissioning period. The spacecraft will launch into a highly elliptical Earth orbit in 2015. Starting approximately four days after launch, a series of five large perigee-raising maneuvers will be executed near apogee on a nearly every-other-orbit cadence. This perigee-raise operations concept requires a high-accuracy estimate of the orbital state within one orbit following the maneuver for performance evaluation and a high-accuracy orbit prediction to correctly plan and execute the next maneuver in the sequence. During early mission design, a linear covariance analysis method was used to study orbit determination and prediction accuracy for this perigee-raising campaign. This paper provides a higher fidelity Monte Carlo analysis using the operational COTS extended Kalman filter implementation that was performed to validate the linear covariance analysis estimates and to better characterize orbit determination performance for actively maneuvering spacecraft in a highly elliptical orbit. The study finds that the COTS extended Kalman filter tool converges on accurate definitive orbit solutions quickly, but prediction accuracy through orbits with very low altitude perigees is degraded by the unpredictability of atmospheric density variation.

Multiscale

Magnetospheric Multiscale Mission Attitude Dynamics: Observations from Flight Data

The NASA Magnetospheric Multiscale mission, launched on Mar. 12, 2015, is flying four spinning spacecraft in highly elliptical orbits to study the magnetosphere of the Earth. Extensive attitude data is being collected, including spin rate, spin axis orientation, and nutation rate. The paper will discuss the various environmental disturbance torques that act on the spacecraft, and will describe the observed results of these torques. In addition, a slow decay in spin rate has been observed for all four spacecraft in the extended periods between maneuvers. It is shown that this despin is consistent with the effects of an additional disturbance mechanism, namely that produced by the Active Spacecraft Potential Control devices. Finally, attitude dynamics data is used to analyze a micrometeoroid/orbital debris impact event with MMS4 that occurred on Feb. 2, 2016.

Conjunction

The Magnetospheric Multiscale Constellation

The Magnetospheric Multiscale (MMS) mission is the fourth mission of the Solar Terrestrial Probe (STP) program of the National Aeronautics and Space Administration (NASA). The MMS mission was launched on March 12, 2015. The MMS mission consists of four identically instrumented spin-stabilized observatories which are flown in formation to perform the first definitive study of magnetic reconnection in space. The MMS mission was presented with numerous technical challenges, including the simultaneous construction and launch of four identical large spacecraft with 100 instruments total, stringent electromagnetic cleanliness requirements, closed-loop precision maneuvering and pointing of spinning flexible spacecraft, on-board GPS based orbit determination far above the GPS constellation, and a flight dynamics design that enables formation flying with separation distances as small as 10 km. This paper describes the overall mission design and presents an overview of the design, testing, and early on-orbit operation of the spacecraft systems and instrument suite.

Space mission design