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At least 937 records · Page 52

CIGS Technology Advancement via Fundamental Modeling of Defect/Impurity Interactions (Final Technical Report)

The primary goals of the proposed work were to provide modeling tools (and the associated insight which comes along with model development) for design and optimization of CuIn x Ga 1-x Se 2 (CIGS) and CdSeTe (CST) solar cell manufacturing processes and to establish the foundation for comprehensive end-to-end predictive modeling tools to enable optimization of thin film photovoltaic technology for performance, cost, yield, and reliability. The initial focus of efforts within this project was to develop coupled process/optical/device models for CIGS PV technology and to work with Siva Power to apply that TCAD (technology computer-aided design) system to improve the efficiency and reduce manufacturing costs for CIGS solar cells. Our approach to that end was to generate an extensive database of DFT calculations and to use those calculations via statistical thermodynamics methods and Monte Carlo simulation to develop and characterize models for the behavior of native defects as well as intentional and unintentional impurities, including the redistribution of the primary components of CIGS films. Increased effort went toward coupling those models for defect behavior and composition evolution to the performance of multicrystalline CIGS solar cells via prediction of doping level and recombination lifetime as function of manufacturing process. In the second budget period, the project pivoted to developing a similar system for the CdSeTe system, focused especially on understanding the role of Se/Te alloy concentration. Execution of the project resulted in the successful development of TCAD systems for both CIGS and CdSeTe thin film PV within the Synopsys Sentaurus framework by utilizing the Alagator interface. In the first budget period of the project, we developed quantitative models for the major components of CIGS PV and implemented them within a framework that couples process, optical, and device simulation. From the insights we have gained, we identified novel opportunities for enhancing CIGS solar cell performance and have laid the groundwork to further optimize the layer structure, composition profile, and thermal cycles for substantially improved efficiency and lower manufacturing costs. For the CIGS system, process changes to achieve greater than 1% absolute enhancement in efficiency were identified, but testing of those approaches was stymied by lack of a domestic CIGS manufacturing partner after the closure of Siva Power as well as Miasole. For CdSeTe, a fully capable TCAD system only became ready to apply near the end of the project period, so substantial opportunities remain to apply those models to enhance the leading thin film PV technology.

14 SOLAR ENERGY↗

Aeroheating Thermal Analysis Methods for Aerobraking Mars Missions

Mars missions often employ aerobraking upon arrival at Mars as a low-mass method to gradually reduce the orbit period from a high-altitude, highly elliptical insertion orbit to the final science orbit. Two recent missions that made use of aerobraking were Mars Global Surveyor (MGS) and Mars Odyssey. Both spacecraft had solar arrays as the main aerobraking surface area. Aerobraking produces a high heat load on the solar arrays, which have a large surface area exposed to the airflow and relatively low mass. To accurately model the complex behavior during aerobraking, the thermal analysis must be tightly coupled to the flight mechanics, aerodynamics, and atmospheric modeling efforts being performed during operations. To properly represent the temperatures prior to and during the drag pass, the model must include the orbital solar and planetary heat fluxes. The correlation of the thermal model to flight data allows a validation of the modeling process, as well as information on what processes dominate the thermal behavior. This paper describes the thermal modeling method that was developed for this purpose, as well as correlation for two flight missions, and a discussion of improvements to the methodology.

Amundsen, Ruth M.↗

Local correlation-based transition models for high-Reynolds-number wind-turbine airfoils

Abstract. Modern wind-turbine airfoil design requires robust performance predictions for varying thicknesses, shapes, and appropriate Reynolds numbers. The airfoils of current large offshore wind turbines operate with chord-based Reynolds numbers in the range of 3–15 million. Turbulence transition in the airfoil boundary layer is known to play an important role in the aerodynamics of these airfoils near the design operating point. While the lack of prediction of lift stall through Reynolds-averaged Navier–Stokes (RANS) computational fluid dynamics (CFD) is well known, airfoil design using CFD requires the accurate prediction of the glide ratio (L/D) in the linear portion of the lift polar. The prediction of the drag bucket and the glide ratio is greatly affected by the choice of the transition model in RANS CFD of airfoils. We present the performance of two existing local correlation-based transition models – one-equation model (γ− SA) and two-equation model (γ-Reθt‾- SA) coupled with the Spalart–Allmaras (SA) RANS turbulence model – for offshore wind-turbine airfoils operating at a high Reynolds number. We compare the predictions of the two transition models with available experimental and CFD data in the literature in the Reynolds number range of 3–15 million including the AVATAR project measurements of the DU00-W-212 airfoil. Both transition models predict a larger L/D compared to fully turbulent results at all Reynolds numbers. The two models exhibit similar behavior at Reynolds numbers around 3 million. However, at higher Reynolds numbers, the one-equation model fails to predict the natural transition behavior due to early transition onset. The two-equation transition model predicts the aerodynamic coefficients for airfoils of various thickness at higher Reynolds numbers up to 15 million more accurately compared to the one-equation model. As a result, the two-equation model predictions are more comparable to the predictions from eN transition model. However, a limitation of this model is observed at very high Reynolds numbers of around 12–15 million where the predictions are very sensitive to the inflow turbulent intensity. The combination of the two-equation transition model coupled with the Spalart–Allmaras (SA) RANS turbulence model is a good method for performance prediction of modern wind-turbine airfoils using CFD.

17 WIND ENERGY↗

Perseverance Rover Collision Model for a range of Autonomous Behaviors

The NASA Mars 2020 Perseverance rover landed in Jezero crater on Mars on 18 February 2021. It is a science mission to collect and cache sample cores for possible return to Earth in the future. Robot collision modeling is traditionally used in robotics for hardware safety for manipulation and sampling. The Mars 2020 Rover Collision Model (RCM) optimizes and extends collision checking in innovative ways to provide a range of onboard autonomous capability on a computationally constrained system. It provides an example of the benefit of systems and operations cognizant software design and development of autonomous systems.

Klein, Douglas↗

Design strategies and functionality of the Visual Interface for Virtual Interaction Development (VIVID) tool

Development of interactive virtual environments (VE) has typically consisted of three primary activities: model (object) development, model relationship tree development, and environment behavior definition and coding. The model and relationship tree development activities are accomplished with a variety of well-established graphic library (GL) based programs - most utilizing graphical user interfaces (GUI) with point-and-click interactions. Because of this GUI format, little programming expertise on the part of the developer is necessary to create the 3D graphical models or to establish interrelationships between the models. However, the third VE development activity, environment behavior definition and coding, has generally required the greatest amount of time and programmer expertise. Behaviors, characteristics, and interactions between objects and the user within a VE must be defined via command line C coding prior to rendering the environment scenes. In an effort to simplify this environment behavior definition phase for non-programmers, and to provide easy access to model and tree tools, a graphical interface and development tool has been created. The principal thrust of this research is to effect rapid development and prototyping of virtual environments. This presentation will discuss the 'Visual Interface for Virtual Interaction Development' (VIVID) tool; an X-Windows based system employing drop-down menus for user selection of program access, models, and trees, behavior editing, and code generation. Examples of these selection will be highlighted in this presentation, as will the currently available program interfaces. The functionality of this tool allows non-programming users access to all facets of VE development while providing experienced programmers with a collection of pre-coded behaviors. In conjunction with its existing, interfaces and predefined suite of behaviors, future development plans for VIVID will be described. These include incorporation of dual user virtual environment enhancements, tool expansion, and additional behaviors.

Nguyen, Lac↗

A quantitative model for a nanoscale switch accurately predicts thermal actuation behavior

Manipulation of temperature can be used to actuate DNA origami nano-hinges containing gold nanoparticles. We develop a physical model of this system that uses partition function analysis of the interaction between the nano-hinge and nanoparticle to predict the probability that the nano-hinge is open at a given temperature. The model agrees well with experimental data and predicts experimental conditions that allow the actuation temperature of the nano-hinge to be tuned over a range of temperatures from 30 °C to 45 °C. Additionally, the model identifies microscopic interactions that are important to the macroscopic behavior of the system, revealing surprising features of the system. This combination of physical insight and predictive potential is likely to inform future designs that integrate nanoparticles into dynamic DNA origami structures or use strand binding interactions to control dynamic DNA origami behavior. Furthermore, our modeling approach could be expanded to consider the incorporation, stability, and actuation of other types of functional elements or actuation mechanisms integrated into nucleic acid devices.

36 MATERIALS SCIENCE↗

Adversarial Ensemble Modeling of Multi-modal Mechanical Properties for Iron-Based Alloys

Mechanical properties of alloys are controlled by their microstructure; and microstructure evolution is controlled by internal and external stressors. Chemical complexity during the alloy processing may result in heterogeneity and observation of multimodal performance patterns. Thus, to ensure the desired performance of stressed components it is important to understand the origin and mechanisms of such behavior. Adversarial ensemble modeling was introduced here to explain multimodal mechanical properties of the iron-based alloys. The modeling results showed that the areas of a single mechanism predominance were contiguous across the alloy compositions clustered by similarity, with sharp and persistent boundaries separating the single-mechanism domains. The marginal compositions resulted in increased competition between the adversarial models but only led to the multimodal behavior when the competing models diverged. Transparency of the clustering method allowed explicit interpretation of the chemistries leading to such competition. The adversarial ensemble was interpreted through transition from ductile to brittle microstructure.

36 MATERIALS SCIENCE↗

Modeling Humans as Reinforcement Learners: How to Predict Human Behavior in Multi-Stage Games

This paper introduces a novel framework for modeling interacting humans in a multi-stage game environment by combining concepts from game theory and reinforcement learning. The proposed model has the following desirable characteristics: (1) Bounded rational players, (2) strategic (i.e., players account for one anothers reward functions), and (3) is computationally feasible even on moderately large real-world systems. To do this we extend level-K reasoning to policy space to, for the first time, be able to handle multiple time steps. This allows us to decompose the problem into a series of smaller ones where we can apply standard reinforcement learning algorithms. We investigate these ideas in a cyber-battle scenario over a smart power grid and discuss the relationship between the behavior predicted by our model and what one might expect of real human defenders and attackers.

Lee, Ritchie↗

Agent-Based Modeling for the Circular Economy: Lessons Learned From Three Case Studies

The circular economy (CE) aims at decoupling human activities from resource use, creating wealth in the process. Recently, many scholars have questioned the link between increased circularity and sustainability, resulting in many methodological approaches being developed for that purpose. This presentation summarizes the insights gained from the application of agent-based modeling (ABM) to study the techno-economic and social conditions promoting circularity and sustainability of three technologies: photovoltaic (PV) modules, hard disk drives (HDDs), and wind blades. Four main categories of agents are defined in the ABM: asset owners, service providers (e.g., refurbishers), recyclers, and manufacturers. Two main CE strategies are represented: lifetime extension (through repair or reuse) and recycling. The developed models start by projecting installed capacities and end-of-life (EOL) quantities. Then the theory of planned behavior - a social psychology model explaining behavior adoption based on attitude, peer influence, and costs - is used to model the asset owners' EOL decision (i.e., landfill, recycle or extend the lifetime of the asset). Then, the quantities of assets flowing to the recycler and service provider agents and quantities of materials flowing to manufacturers are computed. Recyclers' economies of scale are dynamically modeled, and the value generated by the CE strategies for the recyclers, service providers, and manufacturers is computed within the model. When data are available, avoided greenhouse gas emissions resulting from the CE strategies adoption are calculated exogenously from the ABM simulations. Results show that with improved used PV modules warranties, the reuse CE strategy adoption increases from 1% to 23% between 2020 and 2050. Similarly, improved standards could enhance HDDs end-users trust in data-wiping - a prerequisite to reuse - leading to a 3-fold increase in the reuse rate and avoid about 5 million tons of CO2 eq by 2050. Regarding wind blades, 5-15 years lifetime extension could reduce EOL blade quantities by 13%. High costs and logistic issues prevent blades from being recycled in greater quantities. One insight from the case studies is the necessity to have mature secondary markets for reuse to be a viable option. Interestingly, PV reuse is limited by the willingness of PV owners to purchase used modules (on the demand side), while HDDs reuse is constrained by the lack of trust toward data-wiping (limiting the supply of used HDDs). The six limits of the CE concepts presented by Korhonen et al. (2018) are finally used to interpret the results. The HDD case study is an exemplary lock-in, where the first accepted practice (shredding) retains most of the market. The PV results illustrate the technical limitation to reuse, as the growing demand cannot be supplied entirely with used PV modules. The wind case study shows the relevance of clearly defining physical flows - what type of waste should wind blades be considered, how should they be transported and landfilled? - a crucial consideration that also applies to PV modules. Finally, the three case studies highlight the relevance of studying a technology's technical, economic, and market material efficiency potentials altogether and the potential benefit of coupling ABM to life cycle assessment.

agent-based modeling↗

Aeroelastic Analysis for Rotorcraft

Aeroelastic-analysis computer program incorporates an analytical model of aeroelastic behavior of wide range of rotorcraft. Such an analytical model is desirable for both pretest predictions and posttest correlations. Program can be applied in investigations of isolated rotor aeroelasticity and helicopter-flight dynamics and could be employed as basis for more-extensive investigations or aeroelastic behavior, such as automatic control system design.

Johnson, W.↗

Modeling Autonomous Vehicle-Targeted Aggressive Merging Behaviors in Mixed Traffic Environment

Promising advances in Autonomous Vehicle (AV) technology have fueled industry and research fields to dedicate significant effort to the study of the integration of AVs into the traffic network. This study focuses on the transition phase between all Human Driven Vehicles (HDVs) in the network to all AVs, where these different vehicle types coexist in a mixed traffic environment. This paper investigates the potential impacts of aggressive merging behaviors by human drivers on traffic performance in a mixed environment. For this, three vehicle types – AVs, HDVs, and Aggressive HDVs (AHDVs) – are modeled in an open-source microscopic traffic simulation model, SUMO. In the developed simulation, the AHDVs are modeled to emulate aggressive merging behaviors in front of AVs at a merge section of a freeway exit ramp. Several experiments are used to study the impact of such behavior. Results show travel time gains by AHDVs at the expense of AVs and HDVs.

Bae, JongIn↗

Feedback-Based Fault-Tolerant and Health-Adaptive Optimal Charging of Batteries

The key technology barriers that hinder the growth of Electric Vehicles (EVs) are long charging time, the shorter life-time of EV batteries, and battery safety. Specifically, EV charging protocols have significant effects on battery lifetime and safety. If not charged properly, the battery could end up with shorter life, and more importantly, improper charging can cause battery faults leading to catastrophic failures. To overcome these barriers, we propose a closed-loop feedback based approach, that enables real-time optimal fast charging protocol adaptation to battery health and possess active diagnostic capabilities in the sense that, during charging, it detects real-time faults and takes corrective action to mitigate such fault effects. We utilize battery electrical-thermal model, explicit battery capacity and power fade aging models, and thermal fault model to capture battery behavior. In conjunction with the models, we adopt linear quadratic optimal control techniques to realize the feedback-based control algorithm. Simulation studies are presented to illustrate the effectiveness of the proposed scheme.

batteries↗

Reactive burn model calibration using high-throughput initiation experiments at sub-millimeter length scales

We report a first-of-its-kind model calibration was performed using Sandia National Laboratories’ high-throughput initiation (HTI) experiment for two types of vapor-deposited explosive films consisting of hexanitrostilbene (HNS) or pentaerythritol tetranitrate (PETN). These films exhibit prompt initiation, and they reach steady detonation at sub-millimeter length scales. Following prior work on HNS, we test the hypothesis of approximating these explosive films as fine-grained homogeneous solids with simple Arrhenius kinetics burn models. The model calibration process is described herein using a single-step as well as a two-step Arrhenius rate law, and it consists of systematic parameter sampling leading to a reduction in the model degrees of freedom. Multiple local minima are observed; results are given for seven different optimized parameter sets. Each model set is further evaluated in a two-dimensional simulation of the critical failure thickness for a sustained detonation. Overall, the two-step Arrhenius kinetics model captures the observed behavior for HNS; however, neither model produces a good fit to the PETN data. We hypothesize that the HTI results for PETN correspond to a heterogeneous response, owing to the smaller reaction zone of PETN compared to HNS (i.e., it does not homogenize the fine-grained hot spots as well). Future work should consider using the ignition and growth model for PETN, as well as other reactive burn models such as xHVRB, AWSD, PiSURF, and CREST.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Novel Approach to PV Inverter Modeling and Simulation Leveraging Experiments, Learning Based Modeling and Co-Simulation

Photovoltaic (PV) inverter manufacturers use custom, proprietary control approaches and topologies in their inverter design. The proprietary nature of these approaches makes it challenging to share electromagnetic transients (EMT) domain models for system studies. This research work presents an approach to develop EMT models from experimental data. We use novel approach in experimental design, high fidelity data collection, use of learning-based modeling, and co-simulation to reduce the time taken to develop an EMT model for an inverter under test (IUT). We used a 20 kW off-the-shelf grid following PV inverter and subjected the inverter to controlled tests. The tests include voltage and frequency step changes, as well as solar irradiance variations. The recorded high frequency data were used to train a neural network model representing the dynamic behavior of the IUT. The model was subsequently imported into an EMT tool using co-simulation techniques, and thus completing the modeling effort.

black box inverter modeling↗

A study of the dynamics of rotating space stations with elastically connected counterweight and attached flexible appendages. Volume 1: Theory

The formulation of a mathematical model for predicting the dynamic behavior of rotating flexible space station configurations was conducted. The overall objectives of the study were: (1) to develop the theoretical techniques for determining the behavior of a realistically modeled rotating space station, (2) to provide a versatile computer program for the numerical analysis, and (3) to present practical concepts for experimental verification of the analytical results. The mathematical model and its associated computer program are described.

Austin, F.↗

The effects of expressivity and flight task on cockpit communication and resource management

The results of an investigation to develop a methodology for evaluating crew communication behavior on the flight deck and a flight simulator experiment to test the effects of crew member expressivity, as measured by the Personal Attributes Questionnarie, and flight task on crew communication and flight performance are discussed. A methodology for coding and assessing flight crew communication behavior as well as a model for predicting that behavior is advanced. Although not enough crews were found to provide valid statistical tests, the results of the study tend to indicate that crews in which the captain has high expressivity perform better than those whose captain is low in expressivity. There appears to be a strong interaction between captains and first officers along the level of command dimension of communication. The PAQ appears to identify those pilots who offer disagreements and inititate new subjects for discussion.

Jensen, R. S.↗

Deformation, fatigue and fracture behavior of two cast anisotropic superalloys

Tensile and low cycle fatigue (LCF) tests were conducted on two cast anisotropic superalloys. The effects of temperature, strain rate and stress range were investigated. Deformation behavior was extensively characterized and modeled. LCF and fracture behavior were studied and correlated with deformation behavior.

Milligan, Walter W.↗