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At least 145 records · Page 8

Evaluating Differences Among Crop Models in Simulating Soybean in-Season Growth

Crop models are useful tools for simulating agricultural systems that require continued model development and testing to increase their robustness and improve how they describe our current understanding of processes. Coordinated and “blind” evaluation of multiple models using same protocols and experimental datasets provides unique opportunities to further improve models and enhance their reliability. For soybean [Glycine max (L.) Merr.], there has been limited coordinated multi-model evaluations for the simulation of in-season plant growth dynamics. We evaluated ten dynamic soybean crop models for their simulation of in-season plant growth using data from five experiments conducted in Argentina, Brazil, France, and USA. We evaluated models after a Blind (using only phenology data) and a Full calibration (with in-season and end-of-season variables). Calibration reduced model uncertainty by reducing standard bias for the simulation of in-season variables (biomass, leaf, pod, and stem weights, and leaf area index, LAI). However, we found that most models had difficulty in reproducing leaf growth dynamics, with normalized root mean squared error (nRMSE) of 56% for leaf weight and 43% for LAI (across locations and models after Full calibration). Models with different levels of complexity and experience were capable of simulating final seed yield at maturity with reasonable accuracy (nRMSE of 8–31% after Full calibration). However, the nRMSE for pod weight (of 17–64% after Full calibration) was two-fold larger than that of seed yield. Moreover, the models differed in how they simulated timing from sowing to beginning seed growth (47–93 days) and effective seed filling period (18–54 days), owing to model structural differences in defining the reproductive developmental stages. Overall, we identified the following processes that can benefit from further model improvement: leaf expansion and senescence, reproductive phenology, and partitioning to reproductive growth. Simulation of pod wall tissue and individual seed cohorts is another aspect that many models currently lack. Model improvement can benefit from high-temporal resolution experimental datasets that concurrently account for phenology, plant growth, and partitioning. Further, we recommend collecting reproductive phenology in the field consistent with actual dry matter allocation to organs in the models and collecting multiple observations of seed and pod weight to aid model improvement for simulation of seed growth and yield formation.

Agricultural Model Intercomparison and Improvement↗

Recent Updates to the Object Reentry Survival Analysis Tool (ORSAT) Version 7.1

The Object Reentry Survival Analysis Tool (ORSAT) code is maintained and used by the NASA Orbital Debris Program Office (ODPO) and has been under continuous development and improvement since the mid-1990s. ORSAT is an object-oriented reentry simulation tool; it models a satellite as a collection of discrete components that follow independent trajectories upon the breakup of the parent object. Version 7.1 of the tool incorporates five years of new thermal and aerodynamic model development, multi-processor parametric study capability, codebase upgrades, and numerous bug-fixes. The thermal demise model was completely rewritten using a forward-time/central-space numerical stencil and incorporating a new pyrolysis model for fiber-reinforced plastic (FRP) materials. New aerodynamic and aeroheating models for hollow cylinders and hollow square prisms were developed using a combination of flow simulations in the direct simulation Monte Carlo (DSMC) Analysis Code (DAC) and Data Parallel Line Relaxation (DPLR) code and free-flight tests in the University of Texas at San Antonio’s Hypersonic Wind Tunnel. The latest version also incorporates a mechanical, strength-based demise model for FRP materials. Minor improvements include an update to the Fortran 2018 codebase; improved integration and speed with the Python-based, multi-core, parametric study tool, AutoORSAT; and fixes for many minor bugs. This new version of ORSAT will enable more accurate reentry risk assessments for modern satellites. This paper presents an overview of these changes and a summary of the verification and validation performed on the final code.

Benton R. Greene↗

Recent Updates to the Object Reentry Survival Analysis Tool (ORSAT) Version 7.1

The Object Reentry Survival Analysis Tool (ORSAT) code is maintained and used by the NASA Orbital Debris Program Office (ODPO) and has been under continuous development and improvement since the mid-1990s. ORSAT is an object-oriented reentry simulation tool; it models a satellite as a collection of discrete components that follow independent trajectories upon the breakup of the parent object. Version 7.1 of the tool incorporates five years of new thermal and aerodynamic model development, multi-processor parametric study capability, codebase upgrades, and numerous bug-fixes. The thermal demise model was completely rewritten using a forward-time/central-space numerical stencil and incorporating a new pyrolysis model for fiber-reinforced plastic (FRP) materials. New aerodynamic and aeroheating models for hollow cylinders and hollow square prisms were developed using a combination of flow simulations in the direct simulation Monte Carlo (DSMC) Analysis Code (DAC) and Data Parallel Line Relaxation (DPLR) code and free-flight tests in the University of Texas at San Antonio’s Hypersonic Wind Tunnel. The latest version also incorporates a mechanical, strength-based demise model for FRP materials. Minor improvements include an update to the Fortran 2018 codebase; improved integration and speed with the Python-based, multi-core, parametric study tool, AutoORSAT; and fixes for many minor bugs. This new version of ORSAT will enable more accurate reentry risk assessments for modern satellites. This paper presents an overview of these changes and a summary of the verification and validation performed on the final code.

Benton R. Greene↗

Benchmark between antenna code TOPICA, RAPLICASOL and Petra-M for the ICRH ITER antenna

ITER will be equipped with three plasma heating systems: neutral beam (NB), electron cyclotron (EC), and ion cy-clotron resonance heating (ICRH). The latter consists of two identical ICRH antennas to deliver 20 MW to the plasma (baseline, upgradable to 40 MW). ICRH will play a crucial role in the ignition and sustainment of burning plasmas in ITER. A high fidelity and robust modeling effort to understand the interaction of the IC waves with the scrape-off-layer (SOL) plasma is a very important aspect. Among the main important research topics, we have the assessment of the antenna loading for different plasma scenarios, the role of the lower hybrid resonance in front of the antenna and how to include it in our models, and the RF sheath boundary conditions to evaluate the antenna impurity generation. In this work, we tackle the first of these by reporting on ICRF simulations employing the Petra-M code, which is an electromagnetic simulation tool for modeling RF wave propagation based on MFEM [http://mfem.org] for the ITER ICRH antenna. Moreover, a benchmark between the well tested antenna codes TOPICA, RAPLI-CASOL, which is based on COMSOL [www.comsol.com], and the Petra-M code is also presented. In conclusion, S- and Z-matrices and wave electric field are compared showing an excellent agreement among these codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

3D full wave fast wave modeling with realistic HHFW antenna geometry and SOL plasma in NSTX-U

This paper reports the significant advancement of our ability to model and to understand how RF waves interact with the SOL plasma, by developing for the full torus 3D scrape-off layer (SOL) plasma simulation together with the antenna and core plasma in the NSTX-U device in HHFW frequency regime for a cold plasma model. The present paper extends the previous modeling (Bertelli et al 2020 AIP Conf. Proc. 2254 030001) to a full 3D device geometry including realistic antenna geometry in order to capture a more realistic experimental situation including the fully 3D wave field effects and the antenna plasma interaction in the SOL plasma, and, at the same time, resulting core wave propagation. Here, the central tool of the present work is the Petra-M code, which is a newly developed state-of-the-art generic electromagnetic simulation tool for modeling RF wave propagation based on MFEM (http://mfem.org), an open source scalable C++ finite element method library.

3D RF modeling↗

Modeling Tool Development and Validation for Solar Industry Process Heat Using Particle Thermal Energy Storage

U.S. industry sectors used 26.2 quadrillion Btu and accounted for 33% of total energy consumption in 2021 according to the Energy Information Agency. Industrial process heat accounts for 70% of industrial energy use with application temperatures ranging from 60 degrees -1100 degrees C. Industry processes, heavily relying on fossil fuels of cheap coal or natural gas, differ widely in operating conditions and load requirements which makes them difficult to standardize and imposes great challenges in decarbonization. Industry processes require reliable energy supply and vary widely in temperature ranges. Storing energy from renewable sources is necessary to improve reliability and to mitigate renewable intermittency when replacing carbon fuel-based heat supplies to achieve energy savings and reduce emissions. To this end, we have developed a particle-based thermal energy storage (TES) technology using low-cost and highly stable silica sand as a storage medium. The economic and performance-based analysis is key for renewable energy sources to reliably supply industry process heat and ultimately displace fossil fuels for decarbonization. The diversified industrial processes need case-by-case analysis and design. Therefore, an adaptive modeling tool is key for renewable power with energy storage to meet industry demands. Thus, a modeling tool to simulate a solar industry process heat system using the particle TES has been developed using the object-oriented equation-based language Modelica and the commercial platform of Modelon Impact. The Modelica-based software tool provides a general simulation environment for the design of reliable solar energy sources integrated with TES for various industrial process applications at different temperatures for economic competence with fossil fuels such as coal and natural gases. It uses both customized and standard component modeling modules in Modelon libraries for the flexibility to be adapted to a specific energy demand application. The particle TES system establishes a uniform energy supply platform with an efficient heat exchanger and particle thermal energy reservoir integrated with renewable powers. The particle TES system can provide a wide temperature range and can have a large storage temperature difference that increases storage energy density; therefore, it can be an adaptable energy storage system integrated with renewable power to supply 24/7 heat for industry decarbonization.

concentrated solar thermal↗

Development of a three-dimensional APOLLO3 neutrons deterministic scheme for the CABRI reactor

CABRI is an experimental reactor to study the fuel behavior during reactivity injection transients. These transients being highly multiphysics, the development of suitable modeling and simulation tools to simulate them is important for the optimization of the tests and the control of the experimental conditions. This paper focuses on the development of an APOLLO3 deterministic core calculation tool dedicated to the CABRI transient analysis. It represents the first stage of the incremental process for the implementation of a multiphysics time-dependent modeling of the CABRI transient. The neutron calculation scheme is based on a classical two-step approach. The first step consists of a 281-energy group calculation flux with the TDT-MOC (Method Of Characteristics) solver for cross-section space and energy (23 groups) collapsing for the CABRI different assembly clusters. The bias on a 2D core neutron calculation due to the self-shielding calculation and collapsing on a restricted pattern are investigated thanks to a comparison with a direct full 2D calculation on a quarter of core. The second step relies on a pin-resolved transport 3D transport core calculation with the SN solver MINARET. A progressive numerical validation process is followed to quantify the calculation biases on reactivity and reaction rates at each step using reference calculations with the stochastic code TRIPOLI4. The next development stage toward a multiphysics scheme will be the implementation of the 3D-kinetics equation resolution and the coupling with a core thermal-hydraulics model. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SECURED: Simulator-Enhanced Control and Understanding of Reactor systems for cyber-Event Defense

The study discusses a learning approach for analyzing cyber-events in reactor systems using integrated hardware and personal computer simulator models. Key points include the rise in cyber-attacks and their sophistication in industrial control systems (ICS), the necessity for awareness, understanding, resource allocation, and preparation to combat these threats, and the digital transformation of old and new nuclear plants, increasing their exposure to cyber threats. It highlights the cyber vulnerabilities of advanced reactor systems, which rely on digital instrumentation and control for operations and safety functions, making them susceptible to cyber-attacks. The approach involves demonstrating reactor system plant ICS cyber-attacks under various operational conditions utilizing tools like simulator models and hardware-based kits. A strategic solution approach tailored to critical infrastructure is emphasized, along with community engagement for public and government support, adopting effective learning approaches, and the preparation for anticipated future challenges. The presentation concludes with a call to action to address challenges, leverage opportunities, and advance through lesson learning in cybersecurity for nuclear energy systems.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

System Analysis Support of Consent-Based Siting Efforts - 23400

To better enable informed decision-making regarding the back end of the nuclear fuel cycle, the Integrated Waste Management (IWM) program within the U.S. Department of Energy, Office of Nuclear Energy (DOE-NE) has been sponsoring the development and application of system analysis tools capable of analyzing various system options for the management of spent nuclear fuel (SNF) and high-level radioactive waste. With these tools, integrated waste management system (IWMS) architecture analyses are being conducted to support the future deployment of a comprehensive nuclear waste management system that considers all major back-end aspects of the nuclear fuel cycle (i.e., transportation, storage, and disposal). System analyses and assessments typically use these modeling and simulation tools to investigate things like the implications of changes in various assumptions and parameters such as acceptance rates, receipt logic, facility capacities and capabilities, use of standardized canisters, and different assumed system operation start dates. Some example system analysis results have been published previously. With the passage of the consolidated appropriations acts for fiscal years 2021 and 2022, Congress provided funding and direction for the DOE to move forward with interim storage to support near-term action in managing the nation’s SNF as an important component of an IWMS. Consent-based siting is a phased, adaptive, and collaborative approach to siting facilities that focuses on the needs and concerns of people and communities. Communities participate in the siting process by working carefully through a series of phases and steps with the DOE (as the implementing organization). Each step and phase helps a community determine whether and how hosting a facility to manage SNF is aligned to the community’s goals. By its nature, a consent-based siting process must be transparent, flexible, adaptive, and responsive to community concerns. Thus, the phases and steps are intended to serve as a guide, not a prescriptive set of instructions. System analysis research analysts interface with DOE’s consent-based siting for a federal interim storage program and can perform preliminary system analyses as requested to support various aspects of the consent-based siting team’s work. This paper provides an overview of IWM program’s system analysis activities that support the ongoing consent-based siting process. The questions that decision-makers, planners, communities, and stakeholders might have during the consent-based siting process are similar to questions that have been explored by system analysts previously. Specifically, this paper discusses work that will inform consent-based siting efforts in the areas of community impacts, cost estimates, various SNF acceptance rates by potential facilities, potential consolidated interim storage facility (CISF) capacities and configurations, and the implications of a CISF on the overall waste management system. It is expected that system analysis will continue to be performed to support the consent-based siting process in the future.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Benchmark Specification for FFTF LOFWOS Test #13

The Fast Flux Test Facility (FFTF) at the Hanford site in Washington was designed by the Westinghouse Electric Corporation for the U.S. Department of Energy. FFTF was a 400 MW thermal, oxide-fueled, liquid sodium cooled test reactor, built to assist development and testing of advanced fuels and materials for fast breeder reactors. After reaching criticality in 1980, FFTF operated until 1992, providing the U.S. Department of Energy (DOE) with the means to test fuels, materials, and other components in a fast neutron flux environment. In July 1986, a series of unprotected transients (with the plant protection system intentionally disabled) were performed in FFTF as part of the passive safety demonstration program. Among these were thirteen loss of flow without scram (LOFWOS) tests. The goals of this program included confirming the liquid metal reactor safety margins, providing data for computer code validation, and demonstrating the inherent and passive safety benefits of specific design features. The test defined in this benchmark is LOFWOS Test #13, which was initiated at 50% power and 100% flow with the pump pony motors turned off. This benchmark specification is intended to support collaborative efforts within international partnerships on the validation of simulation tools and models in the area of Sodium-cooled Fast Reactor (SFR) safety. Validated tools and models are needed to evaluate SFR inherent safety characteristics and assess the impact of passive design features in response to accident initiators. Comparisons with experimental data and the results of safety analyses from other groups create unique opportunities to improve predictive capabilities of computational codes and methods for SFR modeling and simulation. The conditions of the LOFWOS test along with the feedback from FFTF’s limited free bow core restraint system and the novel passive reactivity control Gas-Expansion Modules (GEMs) pose a very challenging and uniquely valuable benchmark exercise.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SAM Code Development for Source Term Modeling in Fluoride-salt-cooled High-temperature Reactors

The SAM code is under development and supported by DOE-NE’s Nuclear Energy Advanced Modeling and Simulation program as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. These advanced reactor concepts incorporate novel and improved approaches to achieve safety and economic feasibility. Many concepts leverage higher operating temperatures for improved efficiency with a variety of coolants and structural materials to support those needs. Such design choices may also pose unique radiological source term risks. There are continuous efforts to incorporate new physics and phenomena relevant to advanced reactor concepts, including capabilities to enable system-level source term modeling. The Pebble-Bed Fluoride-salt-cooled High-temperature Reactor (PB-FHR) is a promising candidate among advanced nuclear reactor concepts with its improved passive safety characteristics and high thermal efficiency. In addition to past efforts to support the development and utilization of SAM for PB-FHR safety analysis, the species transport modeling capabilities in SAM have been extended to simulate source term phenomena in concepts like the PB-FHR. The PB-FHR concept utilizes pebble-form TRISO fuel and FLiBe salt coolant to provide robust barriers to the release of almost all fission products and radiological source terms. However, tritium poses a unique radiological risk due to its significant production from neutron interactions with 6 Li and 9 Be in the FLiBe as well as its high mobility at elevated temperatures where it can permeate through structural metals. Secondly, the use of graphite at elevated temperatures poses the risk of oxidation damage to any structural components or fuel pebbles that are exposed to accidental air ingress. This report summarizes progress made in modeling these phenomena in SAM, which leverages the system-level multi-physics thermal hydraulic simulation to support an effective engineering-scale source term modeling capability. A tritium transport model is developed to simulate the various transport pathways in FHR and MSR concepts and is presented through verification and validation examples as well as demonstrations simulating experimental test loops and reference plant FHR models. A graphite oxidation model is also introduced to calculate local oxidation rates and is presented with initial validation results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Artificial Intelligence for Multiphysics Nuclear Design Optimization with Additive Manufacturing

The geometric flexibility of additively manufactured metals and ceramics generates a very large and open design space that requires advanced modeling and simulation tools for physics simulations and the rigorous definition of design problems. This effort deploys artificial intelligence (AI) and machine learning (ML) algorithms to understand the design space, evaluate potential designs, and more efficiently generate optimized results. The Transformational Challenge Reactor (TCR) program is leveraging advances in several scientific areas—including materials, manufacturing, sensors and control systems, data analytics, and high-fidelity modeling and simulation—to accelerate the design, manufacturing, qualification, and deployment of advanced nuclear energy systems. Through a manufacturing-informed design approach, the TCR program seeks to integrate digital data for rapid nuclear innovation; accelerate the adoption of advances in manufacturing, materials, and computational sciences for nuclear applications; and dramatically reduce deployment costs and timelines for new nuclear reactor technologies. This report documents efforts under the TCR program to leverage advanced modeling and simulation techniques driven by AI/ML algorithms on high-performance computing (HPC) systems to yield more optimized TCR core designs. A multiphysics ML surrogate model was developed to run on the HPC architectures. The surrogate model is trained on high-fidelity simulation data of coupled neutronics and thermofluidics and is used to quickly evaluate thousands of candidate core designs in parallel, which drives the evolution of the cooling channel shapes to minimize temperature peaking and material stress. Outcomes from these activities provide design information and feedback into the core design efforts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Spacecraft VHF Radio Propagation Analysis in Ocean Environments Including Atmospheric Effects

The Communication Systems Simulation Laboratory (CSSL) at the National Aeronautics and Space Administration (NASA)/Johnson Space Center (JSC) is tasked to perform spacecraft and ground network communication system simulations. The CSSL has developed simulation tools that model spacecraft communication systems and the space/ground environment in which they operate. This paper is to analyze a spacecraft's very high frequency (VHF) radio signal propagation and the impact to performance when landing in an ocean. Very little research work has been done for VHF radio systems in a maritime environment. Rigorous Radio Frequency (RF) modeling/simulation techniques were employed for various environmental effects. The simulation results illustrate the significance of the environmental effects on the VHF radio system performance.

Hwu, Shian↗

Modeling of Slosh Dynamics in Cryogenic Propellant Tanks in Microgravity Environments

The slosh dynamics in cryogenic fuel tanks under microgravity is a pressing problem that severely affects the reliability of launching spacecraft. After reaching low Earth orbit, the propellant in a multistage rocket experiences large and cyclic changes in temperature as a result of solar heating. Tank wall heating can induce thermal stratification and propellant boiloff, particularly during slosh-inducing vehicle maneuvers. Precise understanding of the dynamic and thermodynamic effects of propellant slosh caused by these maneuvers is critical to mission performance and success. Computational fluid dynamics (CFD) analysis is used extensively within the space vehicle industry in an attempt to characterize the behavior of liquids in microgravity, yet experimental data to quantify these predictions is very limited and reduces confidence in the analytical predictions. A novel approach designed to produce high-fidelity data for correlation to CFD model predictions is being developed with the assistance of Florida Institute of Technology (FIT) and Sierra Lobo, Inc. With few exceptions, previous work in slosh dynamics was theoretical or treated the mass of fuel as a variable of inertia only; such models did not consider the viscosity, surface tension, or other important fluid effects. The challenges in this research are in the development of instrumentation able to measure the required parameters, the computational ability to quantify the fluid behaviors, and the means to assess both the measurements and predictions. The design of this experiment bridges the understanding of slosh dynamics in microgravity by a comprehensive approach that combines CFD tools, dynamic simulation tools, semianalytical models of the predominant fluid effects, and an experimental framework that includes measurement and characterization of liquid slosh in one-degree-of-freedom (DOF) and two-DOF experiments, and ultimately experiments in a NASA low-gravity aircraft.

Source record↗

Informing climate adaptation strategies using ecological simulation models and spatial decision support tools

Introduction: Forest landscapes offer resources and ecosystem services that are vital to the social, economic, and cultural well-being of human communities, but managing for these provisions can require socially and ecologically relevant trade-offs. We designed a spatial decision support model to reveal trade-offs and synergies between ecosystem services in a large eastern Cascade Mountain landscape in Washington State, USA. Methods: We used process-based forest landscape (LANDIS-II) and hydrology (DHSVM) models to compare outcomes associated with 100 years of simulated forest and wildfire dynamics for two management scenarios, Wildfire only and Wildfire + Treatments. We then examined the strength and spatial distribution of potential treatment effects and trends in a set of resources and ecosystem services over the simulation period. Results: We found that wildfire area burned increased over time, but some impacts could be mitigated by adaptation treatments. Treatment benefits were not limited to treated areas. Interestingly, we observed neighborhood benefits where fire spread and severity were reduced not only in treated patches but in adjacent patches and landscapes as well, creating potential synergies among some resource benefits and services. Ordinations provided further evidence for two main kinds of outcomes. Positive ecological effects of treatments were greatest in upper elevation moist and cold forests, while positive benefits to human communities were aligned with drier, low- and mid-elevation forests closer to the wildland urban interface. Discussion: Our results contribute to improved understanding of synergies and tradeoffs linked to adaptation and restoration efforts in fire-prone forests and can be used to inform management aimed at rebuilding resilient, climate-adapted landscapes.

54 ENVIRONMENTAL SCIENCES↗

Multiscale Experiments and Multiphysics Simulation of Multiphase Flow for Transportable Small Modular Reactors

A new type of safe, small, transportable nuclear reactor would address the intense and ever-growing global demand for energy produced via a resilient, carbon-free energy source. In this regard, transportable small modular reactors (SMRs) are being designed and developed for electricity generation within small/micro-grid/off-grid isolated systems, as well as for heat generation in industrial/residential applications. These reactors feature the capability to be fully factory fabricated and then directly transported to utilities’ sites as “plug-and-play” systems. Research and development (R&D) programs are underway at Idaho National Laboratory (INL) to successfully design, develop, and demonstrate such safe-by-design mobile reactor technologies, in collaboration with partner organizations. Multiscale experimental facilities and multiphysics simulation tools are required for reactor design verification and validation (V&V), and licensing. These advanced reactors are intended to feature passive safety systems such as passive containment cooling systems (PCCS), which consist of multiphase flows and multispecies distributions. This seminar talk will focus on designing and analyzing transportable SMR PCCS by using multiscale experiments and multiphysics computational fluid dynamics (CFD) simulations to support reactor licensing and safety. The corresponding research challenges are addressed via supportive verification and validation results generated by the models and simulation tools in combination with selective parametric and uncertainty analysis. This solution approach could blaze the trail for commercial adoption of such technologies. The facilities, simulation capabilities, and research opportunities available at INL in regard to such reactors and the integrated energy systems with which they go hand in hand are also discussed briefly, and may spark interest in deeper research as well as new collaborative projects.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Modeling the data management system of Space Station Freedom with DEPEND

Some of the features and capabilities of the DEPEND simulation-based modeling tool are described. A study of a 1553B local bus subsystem of the Space Station Freedom Data Management System (SSF DMS) is used to illustrate some types of system behavior that can be important to reliability and performance evaluations of this type of spacecraft. A DEPEND model of the subsystem is used to illustrate how these types of system behavior can be modeled, and shows what kinds of engineering and design questions can be answered through the use of these modeling techniques. DEPEND's process-based simulation environment is shown to provide a flexible method for modeling complex interactions between hardware and software elements of a fault-tolerant computing system.

Olson, Daniel P.↗

Reactor scale simulations of ALD and ALE: Ideal and non-ideal self-limited processes in a cylindrical and a 300 mm wafer cross-flow reactor

Here, we have developed a simulation tool to model self-limited processes such as atomic layer deposition (ALD) and atomic layer etching inside reactors of arbitrary geometry as well the output of in situ quartz crystal microbalance and mass spectrometry. We have applied this model to two standard types of cross-flow reactors: a cylindrical tube reactor and a model 300 mm wafer reactor, and explored both ideal and nonideal self-limited kinetics. The model results are in agreement with experimental results and analytic expressions obtained using a simple plug-flow model for the cylindrical tube reactor. We also extended the simulations to consider two nonideal self-limited processes: soft-saturating processes characterized by a slow reaction pathway and processes where surface by-products can compete with the precursor for the same pool of adsorption sites. Our results show that it is possible to have a self-limited process with saturated yet inhomogeneous growth profiles due to the competition of reactor by-products. This is in agreement with experimental observations for titanium dioxide ALD from titanium tetraisopropoxide and titanium tetrachloride precursors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗