Impacts of Multiscale FACs on the Ionosphere‐Thermosphere System: GITM Simulation
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Qingyu Zhu↗
SEARCH · Engineering Papers
Results for “multiscale simulations”
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Toward Realistic Simulation of low-Level Clouds Using a Multiscale Modeling Framework With a Third-Order Turbulence Closure in its Cloud-Resolving Model Component
This study presents preliminary results from a multiscale modeling framework (MMF) with an advanced third-order turbulence closure in its cloud-resolving model (CRM) component. In the original MMF, the Community Atmosphere Model (CAM3.5) is used as the host general circulation model (GCM), and the System for Atmospheric Modeling with a first-order turbulence closure is used as the CRM for representing cloud processes in each grid box of the GCM. The results of annual and seasonal means and diurnal variability are compared between the modified and original MMFs and the CAM3.5. The global distributions of low-level cloud amounts and precipitation and the amounts of low-level clouds in the subtropics and middle-level clouds in mid-latitude storm track regions in the modified MMF show substantial improvement relative to the original MMF when both are compared to observations. Some improvements can also be seen in the diurnal variability of precipitation.
Xu, Kuan-Man↗
Predicting Fiber Failure of Plain Weave Fabric with Recursive Multiscale Micromechanics
Recent advances in the development of machine learning (ML) algorithms have enabled the creation of predictive models that can improve decision making, decrease computational cost, and improve efficiency in a variety of fields. As an organization begins to develop and implement such models, the data used in the training, validation, and testing of machine learning models, the model parameters, and the use cases or limitations of the models must be properly stored to ensure models are both fully traceable and used correctly. In the context of predicting material behavior, advances in computationally intense, physics-based, modeling of material behavior at various length scales, and the emergence of Integrated Computational Materials Engineering (ICME) have driven the need for developing data-driven surrogate models of the physics-based simulation tools using machine learning (ML) techniques. Surrogate model development allows for accurate material behavior prediction at a fraction of the cost of its physics-based counterpart, allowing for multiscale simulations of real-world applications, further enabling the ability to design fit-for-purpose materials for a reasonable computational investment. However, training such models requires extensive data, and thus effective data management is necessary to reach the full potential that ML can offer to material design and ICME. This paper proposes a generalized, robust schema that allows organizations to store both real (experimental) and virtual (simulation) data used to train machine learning models and the defining model parameters and architectures. The developed schema allows for various types of data inputs and outputs, including single point values, time-series data, and images that can be used in for various types of machine learning models while following outlined best practices for effective data management. An effective schema for machine learning data and models can help prevent the recreation of virtual/real training data and surrogate models, can help reduce the time to create new models similar to existing ones by offering a starting point in the hyperparameter determination stages, minimize resources devoted to verification and validation (V&V) and certification of models, and ensure that data and surrogate models are not misused due to full traceability of both the data and ML model. It also allows organizations access to models that have already been developed, such that they can be used in the design of new materials, enabling the overall goals of ICME.
Failure↗
Monte Carlo Simulations of the Formation Flying Dynamics for the Magnetospheric Multiscale (MMS) Mission
The MMS mission is an ambitious space physics mission that will fly 4 spacecraft in a tetrahedron formation in a series of highly elliptical orbits in order to study magnetic reconnection in the Earth's magnetosphere. The mission design is comprised of a combination of deterministic orbit adjust and random maintenance maneuvers distributed over the 2.5 year mission life. Formal verification of the requirements is achieved by analysis through the use of the End-to-End (ETE) code, which is a modular simulation of the maneuver operations over the entire mission duration. Error models for navigation accuracy (knowledge) and maneuver execution (control) are incorporated to realistically simulate the possible maneuver scenarios that might be realized These error models, coupled with the complex formation flying physics, lead to non-trivial effects that must be taken into account by the ETE automation. Using the ETE code, the MMS Flight Dynamics team was able to demonstrate that the current mission design satisfies the mission requirements.
Schiff, Conrad↗
Application Table: A Bridge Connecting the Designing “With-The-Material” and “The-Material” Paradigms
Over the last few decades, advances in high-performance computing, new material characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. In 2016 NASA sponsored a 2040 Vision study (which appeared in 2018) 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. The study envisions a cyber-physical-social ecosystem comprised of experimentally verified and validated (V & V) 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. Consequently, the development of a robust information management system that incorporates (across the full life cycle) both experimental (real data) and virtual data resulting from the application of various simulation tools (at single or multiple length scales), therefore enabling the virtual design and optimization of materials throughout their processing – internal structure – property – performance envelope, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality, and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. This is particularly true when attempting to merge ICME practices with recent additive manufacturing technology which will enable production of the resulting 2040 Vision material and structural designs. At NASA Glenn Research Center we are exploring the future of material science through the use of novel characterization methodologies, high performance computing, and recently an emphasis on integrated computational materials engineering (ICME). Herein, recent efforts to incorporate an Application Table within NASA Glenn Research Center’s ICME Granta MI database is presented. The goal is to provide a place where material and structural application information/requirements can be linked so as to marry the “design the-material” and the “design-with-material” paradigms and thereby enable application-driven design and optimization of materials and structures by providing a central location that links material processing at various length scales to the application’s performance requirements. This paper discusses the specifics of this Application Table as well as best practices and key principles for the development of a robust materials information management system to enable the 2040 Vision integrated materials and structures ecosystem. Furthermore, it presents the intended role of the Application Table in the future of ICME design of “fit-for-purpose” materials, showing the need for a well-established framework that can successfully bridge the gap between the design “the material” and design “with-the-material” paradigms.
Materials↗
Application Table: A Bridge Connecting the Designing “With-the-Material” and “the-Material”
Over the last few decades, advances in high-performance computing, new material characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. In 2016 NASA sponsored a 2040 Vision study (which appeared in 2018) 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. The study envisions a cyber-physical-social ecosystem comprised of experimentally verified and validated (V & V) 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. Consequently, the development of a robust information management system that incorporates (across the full life cycle) both experimental (real data) and virtual data resulting from the application of various simulation tools (at single or multiple length scales), therefore enabling the virtual design and optimization of materials throughout their processing – internal structure – property – performance envelope, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality, and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. This is particularly true when attempting to merge ICME practices with recent additive manufacturing technology which will enable production of the resulting 2040 Vision material and structural designs. At NASA Glenn Research Center we are exploring the future of material science through the use of novel characterization methodologies, high performance computing, and recently an emphasis on integrated computational materials engineering (ICME). Herein, recent efforts to incorporate an Application Table within NASA Glenn Research Center’s ICME Granta MI database is presented. The goal is to provide a place where material and structural application information/requirements can be linked so as to marry the “design the-material” and the “design-with-material” paradigms and thereby enable application-driven design and optimization of materials and structures by providing a central location that links material processing at various length scales to the application’s performance requirements. This paper discusses the specifics of this Application Table as well as best practices and key principles for the development of a robust materials information management system to enable the 2040 Vision integrated materials and structures ecosystem. Furthermore, it presents the intended role of the Application Table in the future of ICME design of “fit-for-purpose” materials, showing the need for a well-established framework that can successfully bridge the gap between the design “the material” and design “with-the-material” paradigms.
Materials↗
Potentials in Improving Predictability of Multiscale Tropical Weather Systems Evaluated through Ensemble Assimilation of Simulated Satellite-Based Observations
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Yue Ying↗
2040 Vision Study: an Enlargement of Model Based Engineering
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. As a result, NASA's Transformational Tools and Technology (TTT) Project sponsored a study (performed by a 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 talk will briefly review the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); associated critical gaps and actions to close those gaps; and major recommendations). The study, NASA CR 2018- 219771, 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 marries two non-mutually exclusive paradigms _ "design of the materials" (material scientist viewpoint) and "design with the materials" (structural analyst viewpoint) _ into a concurrent transformational paradigm 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.
Arnold, Steven M.↗
2040 Vision Study: NASA’s T3 Implementation Activities
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. As a result, NASA’s Transformational Tools and Technology (TTT) Project sponsored a study (performed by a 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 talk will briefly review the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); associated critical gaps and actions to close those gaps; and major recommendations) and discuss NASA’s TTT implementation activities, with special emphasis on recent accomplishments. The study, NASA CR 2018- 219771, 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 marries two non-mutually exclusive paradigms – “design of the materials” (material scientist viewpoint) and “design with the materials” (structural analyst viewpoint) – into a concurrent transformational paradigm 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 State's global competitiveness
Materials↗
Evaluation of a Cloud Resolving Model Using TRMM Observations for Multiscale Modeling Applications
The climate change simulation community is moving toward use of global cloud resolving models (CRMs), however, current computational resources are not sufficient to run global CRMs over the hundreds of years necessary to produce climate change estimates. As an intermediate step between conventional general circulation models (GCMs) and global CRMs, many climate analysis centers are embedding a CRM in each grid cell of a conventional GCM. These Multiscale Modeling Frameworks (MMFs) represent a theoretical advance over the use of conventional GCM cloud and convection parameterizations, but have been shown to exhibit an overproduction of precipitation in the tropics during the northern hemisphere summer. In this study, simulations of clouds, precipitation, and radiation over the South China Sea using the CRM component of the NASA Goddard MMF are evaluated using retrievals derived from the instruments aboard the Tropical Rainfall Measuring Mission (TRMM) satellite platform for a 46-day time period that spans 5 May - 20 June 1998. The NASA Goddard Cumulus Ensemble (GCE) model is forced with observed largescale forcing derived from soundings taken during the intensive observing period of the South China Sea Monsoon Experiment. It is found that the GCE configuration used in the NASA Goddard MMF responds too vigorously to the imposed large-scale forcing, accumulating too much moisture and producing too much cloud cover during convective phases, and overdrying the atmosphere and suppressing clouds during monsoon break periods. Sensitivity experiments reveal that changes to ice cloud microphysical parameters have a relatively large effect on simulated clouds, precipitation, and radiation, while changes to grid spacing and domain length have little effect on simulation results. The results motivate a more detailed and quantitative exploration of the sources and magnitude of the uncertainty associated with specified cloud microphysical parameters in the CRM components of MMFs.
Posselt, Derek J.↗
Dynamics and Control of a Disordered System in Space
In this paper, we present some ideas regarding the modeling, dynamics and control aspects of granular spacecraft. Granular spacecraft are complex multibody systems composed of a spatially disordered distribution of a large number of elements, for instance a cloud of N grains in orbit, with N greater than 10(exp 3). These grains can be large (Cubesat-size) or small (mm-size), and can be active, i.e., a fully equipped vehicle capable sensing their own position and attitude, and enabled with propulsion means, or entirely passive. The ultimate objective would be to study the behavior of the single grains and of large ensembles of grains in orbit and to identify ways to guide and control the shape of a cloud composed of these grains so that it can perform a useful function in space, for instance, as an element of an optical imaging system for astrophysical applications. This concept, in which the aperture does not need to be continuous and monolithic, would increase the aperture size several times compared to large NASA observatories such as ATLAST, allowing for a true Terrestrial Planet Imager that would be able to resolve exo-planet details and do meaningful spectroscopy on distant world. In the paper, we address the modeling and autonomous operation of a distributed assembly (the cloud) of large numbers of highly miniaturized space-borne elements (the grains). A multi-scale, multi-physics model is proposed of the dynamics of the cloud in orbit, as well as a control law for cloud shape maintenance, and preliminary simulation studies yield an estimate of the computational effort, indicating a scale factor of approximately N(exp 1.4) as a function of the number of grains. A granular spacecraft can be defined as a collection of a large number of space-borne elements (in the 1000s) designed and controlled such that a desirable collective behavior emerges, either from the interactions among neighboring grains, and/or between the grains and the environment. In this paper, each grain is considered to be a highly miniaturized spacecraft which has limited size and mass, hence it has limited actuation, limited propulsive capability, limited power, limited sensing, limited communication, limited computational resources, limited range of motion, limited lifetime, and may be expendable. The modeling and dynamics of clouds of vehicles is more challenging than with conventional vehicles because we are faced with a probabilistic vehicle composed of a large number of physically disconnected vehicles. First, different scales of motion occur simultaneously in a cloud: translations and rotations of the cloud as a whole (macro-dynamics), relative rotation and translation of one cloud member with respect to another (meso-dynamics), and individual cloud member dynamics (micro-dynamics). Second, the control design needs to be tolerant of the system complexity, of the system architecture (centralized vs. decentralized large scale system control) as well as robust to un-modeled dynamics and noise sources. Figure 1, top left, shows the kinematic parameters of a 1000 element cloud in orbit. The motion of the system is described with respect to a local vertical-local horizontal (LV-LH) orbiting reference frame (x,y,z)=F(sub ORF) of origin O(sub ORF) which rotates with mean motion omega and orbital semi-major axis R(sub 0). The orbital geometry at the initial time is defined in terms of its six orbital elements, and the orbital dynamics equation for point O(sub ORF) is propagated forward in time under the influence of the gravitational field of the primary and other external perturbations, described below. The origin of this frame coincides with the initial position of the center of mass of the system, and the coordinate axes are z along the local vertical, x toward the flight direction, and y in the orbit normal direction. The assumptions we used to model the dynamics are as follows: 1) The inertial frame is fixed at Earth's center. 2) The orbiting Frame ORF follows Keplerian orbit. 3) the cloud system dynamics is referred to ORF. 4) the attitude of each grain uses the principal body frame as body fixed frame. 5) the atmosphere is assumed to be rigidly rotating with the Earth. Regarding the grains forming the cloud: 1) each grain is modeled as a rigid body; 2) a simple attitude estimator provides attitude estimates, 3) a simple guidance logic commands the position and attitude of each grain, 4) a simple local feedback controller based on PD control of local states is used to stabilize the attitude of the vehicle. Regarding the cloud: 1) the cloud as a whole is modeled as an equivalent rigid body in orbit, and 2) an associated graph establishes agent connectivity and enables coupling between modes of motion at the micro and macro scales; 3) a simple guidance and estimation logic is modeled to estimate and command the attitude of this equivalent rigid body; 4) a cloud shape maintenance controller is based on the dynamics of a stable virtual truss in the orbiting frame. Regarding the environmental perturbations acting on the cloud: 1) a non-spherical gravity field including JO (Earth's spherical field) zonal component, J2 (Earth's oblateness) and J3 zonal components is implemented; 2) atmospheric drag is modeled with an exponential model; 3) solar pressure is modeled assuming the Sun is inertially fixed; and 4) the Earth's magnetic field is model using an equivalent dipole model. The equations of motion are written in a referential system with respect to the origin of the orbiting frame and the state is propagated forward in time using an incremental predictor-corrector scheme. A representative cloud with varying number of grains is simulated to identify the limitations in computation time as the number of grains grows. We derive a control law to track a desired surface in the ORF (equivalently to maintain a reference cloud shape) by defining an error from a desired surface shape, and designing a control law that is exponentially stable and reduces the tracking error to zero. Figure 1 (top right) shows a comparison of various requirements for simulation of single spacecraft vs. granular spacecraft, indicating the high degree of complexity that needs to be taken into consideration. The ORF components of control force required by one of the grains is, for this particular case, in the micro-Newton range. However, no attempt has been made yet to reconfigure (or re-orient) the cloud configuration internally, for which forces in the milli-Newton level are expected, depending on the time required to do the reconfiguration. Figure 1, bottom, shows the computation time as a function of the number of grains, indicating an order N(exp 1.43) scaling on a 8 Gb, 1067 MHz RAM MacOSX computer with a 3.06 GHz Intel Core 2 Duo processor. With this metric, the same simulation for a system of N=1000 grains would take 5.4 hours, and 146 hours (i.e., 6 days) for a system with N=10,000 grains. Therefore, efficient ways to simulate this complex system, where not only the time scales of natural system dynamics, but also the sampling times of the Guidance, Navigation, and Control are included, remain to be explored. Additional details on the cloud modeling, dynamics, and control will be described in the paper.
simulation↗
Highly Resolved Mapping of NO 2 Vertical Column Densities From GeoTASO Measurements Over a Megacity and Industrial Area During the KORUS-AQ Campaign
The Korea–United States Air Quality (KORUS-AQ) campaign is a joint study between the United States National Aeronautics and Space Administration (NASA) and the South Korea National Institute of Environmental Research (NIER) to monitor megacity and transboundary air pollution around the Korean Peninsula using airborne and ground-based measurements. Here, tropospheric nitrogen dioxide (NO 2 ) slant column density (SCD) measurements were retrieved from Geostationary Trace and Aerosol Sensor Optimization (GeoTASO) L1B data during the KORUS-AQ campaign (2 May to 10 June 2016). The retrieved SCDs were converted to tropospheric vertical column densities using the air mass factor (AMF) obtained from a radiative transfer calculation with trace gas profiles and aerosol property inputs simulated with the Community Multiscale Air Quality (CMAQ) model and surface reflectance data obtained from the Moderate Resolution Imaging Spectroradiometer (MODIS). For the first time, we examine highly resolved (250 m × 250 m resolution) tropospheric NO 2 over the Seoul and Busan metropolitan regions and the industrial region of Anmyeon. We reveal that the maximum NO 2 vertical column densities (VCDs) were 4.94×10 16 and 1.46×10 17 molec. cm −2 at 09:00 and 15:00 LT over Seoul, respectively, 6.86×10 16 and 4.89×10 16 molec. cm −2 in the morning and afternoon over Busan, respectively, and 1.64×10 16 molec. cm −2 over Anmyeon. The VCDs retrieved from the GeoTASO airborne instrument were correlated with those obtained from the Ozone Monitoring Instrument (OMI) (r=0.48), NASA's Pandora Spectrometer System (r=0.91), and NO 2 mixing ratios obtained from in situ measurements (r=0.07 in the morning, r=0.26 in the afternoon over the Seoul, and r>0.56 over Busan). Based on our results, GeoTASO is useful for identifying NO 2 hotspots and their spatial distribution in highly populated cities and industrial areas.
Gyo-Hwang Choo↗
Oblique Propagation and Temperature Effects on the Resonant Right-Hand Ion Beam Instability
The resonant right-hand instability (RHI) is often the dominant mode driven by reflected ions upstream of Earth’s quasi-parallel bow shock. In the tradition of Peter Gary, this paper further explores the right-hand instability using numerical solutions of the plasma dispersion relation and non-linear kinetic simulations, with parameters inspired by observations from NASA’s Magnetospheric Multiscale (MMS) mission. Agreement is found between the ion distributions in the particle-in-cell simulations and Magnetospheric Multiscale spacecraft data, which show the gyrophase bunching characteristic of the instability. The non-linear structures created by right-hand instability tend to be stronger when the plasma beta is lower. These structures have sizes of around 100 to 200 ion inertial lengths perpendicular to the magnetic field, presenting planet-sized disturbances to the magnetosphere. 2d and 3D hybrid particle-in-cell simulations show that modes with a range of propagation angles oblique to the magnetic field are excited, providing a ground to understand previous statistical studies of observed foreshock waves.
Ari Le↗
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↗
3D Phase-Field Simulations of Pattern Formation During Freeze Casting
We present the results of a combined experimental and phase-field modeling study of pattern formation during freeze casting. Those studies use unidirectional freezing of simple binary liquid mixtures of water and sugars (sucrose and trehalose) in a temperature gradient, which suffice to produce hierarchical templated structures similar to those observed in more complex multi-component freeze-cast systems including lamellae, undulated ridges, and more exotic “jellyfish-like” substructures. Multiscale 3D phase-field simulations reproduce remarkably well those structures quantitatively and identify key properties of the ice-water interface that control their formation. They further reveal that lamellae form as a result of a novel symmetry-breaking secondary instability of partially faceted cellular structures and pinpoint additional secondary instability mechanisms giving rise to smaller-scale substructures.
Kaihua Ji↗
3D Phase-Field Simulations of Pattern Formation During Freeze Casting
We present the results of a combined experimental and phase-field modeling study of pattern formation during freeze casting. Those studies use unidirectional freezing of simple binary liquid mixtures of water and sugars (sucrose and trehalose) in a temperature gradient, which suffice to produce hierarchical templated structures similar to those observed in more complex multi-component freeze-cast systems including lamellae, undulated ridges, and more exotic “jellyfish-like” substructures. Multiscale 3D phase-field simulations reproduce remarkably well those structures quantitatively and identify key properties of the ice-water interface that control their formation. They further reveal that lamellae form as a result of a novel symmetry-breaking secondary instability of partially faceted cellular structures and pinpoint additional secondary instability mechanisms giving rise to smaller-scale substructures.
Kaihua Ji↗
Multiscale Modeling of Structurally-Graded Materials Using Discrete Dislocation Plasticity Models and Continuum Crystal Plasticity Models
A multiscale modeling methodology that combines the predictive capability of discrete dislocation plasticity and the computational efficiency of continuum crystal plasticity is developed. Single crystal configurations of different grain sizes modeled with periodic boundary conditions are analyzed using discrete dislocation plasticity (DD) to obtain grain size-dependent stress-strain predictions. These relationships are mapped into crystal plasticity parameters to develop a multiscale DD/CP model for continuum level simulations. A polycrystal model of a structurally-graded microstructure is developed, analyzed and used as a benchmark for comparison between the multiscale DD/CP model and the DD predictions. The multiscale DD/CP model follows the DD predictions closely up to an initial peak stress and then follows a strain hardening path that is parallel but somewhat offset from the DD predictions. The difference is believed to be from a combination of the strain rate in the DD simulation and the inability of the DD/CP model to represent non-monotonic material response.
Saether, Erik↗
On Efficient Multigrid Methods for Materials Processing Flows with Small Particles
Multiscale modeling of materials requires simulations of multiple levels of structural hierarchy. The computational efficiency of numerical methods becomes a critical factor for simulating large physical systems with highly desperate length scales. Multigrid methods are known for their superior efficiency in representing/resolving different levels of physical details. The efficiency is achieved by employing interactively different discretizations on different scales (grids). To assist optimization of manufacturing conditions for materials processing with numerous particles (e.g., dispersion of particles, controlling flow viscosity and clusters), a new multigrid algorithm has been developed for a case of multiscale modeling of flows with small particles that have various length scales. The optimal efficiency of the algorithm is crucial for accurate predictions of the effect of processing conditions (e.g., pressure and velocity gradients) on the local flow fields that control the formation of various microstructures or clusters.
Thomas, James↗