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Final Technical Report (Phase I) 3D full wave iterative RF beams simulation tool
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Effect of resistivity on poloidal asymmetries in electron density in the edge and scrape off layer in 3D full-F gyro-fluid simulations with FELTOR
In this contribution, we analyze the poloidal asymmetries in electron density in the edge and scrape-off layer (SOL) in a COMPASS-sized, diverted tokamak with the 3D full-F, isothermal, electromagnetic, and gyro-fluid model FELTOR. The study is performed for different simulations that span over 2 orders of magnitude in resistivity. The poloidal asymmetries of density are evaluated in the edge and the SOL relative to the outer midplane (OMP), where the highest densities are usually found. In the closed magnetic surfaces, the relative poloidal asymmetry with respect to the OMP is not larger than 20% independently of the plasma resistivity. For the open field lines in the SOL, the relative density asymmetry can range from 55% for the highest resistivity to around 40% for the lowest. The lowest densities inside the separatrix are found between the inner midplane and the top of the magnetic configuration, away from the X-point. In the SOL it is usually close to the X-point in the high field side. The observations in the closed field lines are consistent with ballooning transport but in the SOL oppose experimental evidence for high-density plasmas. In conclusion, this indicates the necessity for more complex physics to reproduce the experimental observations in the SOL for higher density plasmas, such as neutral-plasma dynamics and realistic divertor conditions.
Impact of vertical and seasonal variation in leaf traits on simulating soybean canopy photosynthesis via 1D and 3D modeling
Accurate modeling of photosynthesis is crucial for predicting crop productivity and quantifying the carbon cycle in agroecosystems. Leaf traits are essential inputs for modeling canopy photosynthesis. Yet, many existing models still use fixed plant functional type (PTF)-based values to parameterize leaf traits under a big-leaf or two-big-leaf assumption, neglecting their vertical profiles and seasonal changes. This simplification may introduce significant uncertainties in estimating gross primary productivity (GPP). In this study, we simulated soybean GPP and tested the effects of vertical and seasonal variation in three key leaf photosynthetic traits: the maximum carboxylation rate at 25 °C (Vcmax 25 ), leaf chlorophyll content (LCC), and leaf mass per area (LMA) in the 1D-SCOPE and 3D-Helios models. Weekly field measurements were conducted during the growing season of 2024 to support the simulation. We designed ten leaf trait parameterization schemes by incorporating different combinations of vertical profiles and seasonal changes, while assuming homogeneous canopy architecture in both models. Our results revealed that Vcmax 25 vertical and seasonal variation had the strongest influence on simulated GPP in both 1D and 3D models, while LCC and LMA effects were minimal. Particularly, the scheme with an empirically parameterized Vcmax 25 profile achieved comparable performance to the scheme with the measured Vcmax 25 profile. Both 1D-SCOPE and 3D-Helios accurately modeled GPP (SCOPE: R 2 = 0.87, Bias = 0.55 µmol m⁻² s⁻¹; Helios: R 2 = 0.9, Bias = 0.22 µmol m⁻² s⁻¹) under the most complex scheme, and their responses to vertical and seasonal variation in leaf traits were consistent, demonstrating the robustness of our findings. Based on our findings, we propose a scalable framework for parameterizing leaf traits to improve GPP simulations. This study contributes to improving the representation of leaf trait dynamics in canopy-level photosynthesis models, potentially enhancing our ability to predict crop productivity and understand agroecosystem carbon dynamics.
Numerical Propulsion System Simulation: An Overview
The cost of implementing new technology in aerospace propulsion systems is becoming prohibitively expensive and time consuming. One of the main contributors to the high cost and lengthy time is the need to perform many large-scale hardware tests and the inability to integrate all appropriate subsystems early in the design process. The NASA Glenn Research Center is developing the technologies required to enable simulations of full aerospace propulsion systems in sufficient detail to resolve critical design issues early in the design process before hardware is built. This concept, called the Numerical Propulsion System Simulation (NPSS), is focused on the integration of multiple disciplines such as aerodynamics, structures and heat transfer with computing and communication technologies to capture complex physical processes in a timely and cost-effective manner. The vision for NPSS, as illustrated, is to be a "numerical test cell" that enables full engine simulation overnight on cost-effective computing platforms. There are several key elements within NPSS that are required to achieve this capability: 1) clear data interfaces through the development and/or use of data exchange standards, 2) modular and flexible program construction through the use of object-oriented programming, 3) integrated multiple fidelity analysis (zooming) techniques that capture the appropriate physics at the appropriate fidelity for the engine systems, 4) multidisciplinary coupling techniques and finally 5) high performance parallel and distributed computing. The current state of development in these five area focuses on air breathing gas turbine engines and is reported in this paper. However, many of the technologies are generic and can be readily applied to rocket based systems and combined cycles currently being considered for low-cost access-to-space applications. Recent accomplishments include: (1) the development of an industry-standard engine cycle analysis program and plug 'n play architecture, called NPSS Version 1, (2) A full engine simulation that combines a 3D low-pressure subsystem with a 0D high pressure core simulation. This demonstrates the ability to integrate analyses at different levels of detail and to aerodynamically couple components, the fan/booster and low-pressure turbine, through a 3D computational fluid dynamics simulation. (3) Simulation of all of the turbomachinery in a modern turbofan engine on parallel computing platform for rapid and cost-effective execution. This capability can also be used to generate full compressor map, requiring both design and off-design simulation. (4) Three levels of coupling characterize the multidisciplinary analysis under NPSS: loosely coupled, process coupled and tightly coupled. The loosely coupled and process coupled approaches require a common geometry definition to link CAD to analysis tools. The tightly coupled approach is currently validating the use of arbitrary Lagrangian/Eulerian formulation for rotating turbomachinery. The validation includes both centrifugal and axial compression systems. The results of the validation will be reported in the paper. (5) The demonstration of significant computing cost/performance reduction for turbine engine applications using PC clusters. The NPSS Project is supported under the NASA High Performance Computing and Communications Program.
2D/1D approximations to the 3D neutron transport equation. I: Theory
A new class of '2D/1D' approximations is proposed for the 3D linear Boltzmann equation. These approximate equations preserve the exact transport physics in the radial directions x and y and diffusion physics in the axial direction z. Thus, the 2D/1D equations are more accurate approximations of the 3D Boltzmann equation than the conventional 3D diffusion equation. The 2D/1D equations can be systematically discretized, to yield accurate simulation methods for 3D reactor core problems. The resulting solutions will be more accurate than 3D diffusion solutions, and less expensive to generate than standard 3D transport solutions. In this paper, we (i) show that the simplest 2D/1D equation has certain desirable properties, (ii) systematically discretize this equation, and (iii) derive a stable iteration scheme for solving the discrete system of equations. In a companion paper [1], we give numerical results that confirm the theoretical predictions of accuracy and iterative stability. (authors)
Immortal rays: Rethinking random ray neutron transport on GPU architectures
The Random Ray Method (TRRM) is a recently developed adaptation of the Method of Characteristics for neutral particle transport simulations. TRRM has demonstrated excellent performance on 3D nuclear reactor benchmark problems using CPU-based compute systems. When porting to GPU-based systems, however, new performance challenges arise that are unique to processors targeting massive fine-grained parallelism. For smaller problems, or for large problems that are domain decomposed across many computational nodes, the problem size per node has insufficient parallelism to saturate GPU node resources, thus greatly limiting speedup. In this study, we report on a newly developed “immortal ray” variant of TRRM. Here, the immortal ray technique exposes significantly more fine-grained parallelism by fundamentally reformulating the numerical details of ray discretization, resulting in performance tradeoffs with significant overall benefit on GPUs. For very small 2D simulation problems we found the new immortal ray variant allowed for up to a 4.4x speedup when run on a single GPU. For larger 3D simulation problems we found the new variant improved strong scaling by 3x when run on the Summit supercomputer.
Simulation of pellet ELM triggering in low-collisionality, ITER-like discharges
3D nonlinear, as well as 2D linear M3D-C1 simulations are used to model ELM triggering by small pellets in DIII-D discharges in the ITER relevant, peeling-limited pedestal stability regime. A critical pellet size threshold is found in both experiment and modeling depending on pedestal conditions, pellet velocity and injection direction. Using radial injection at the outboard midplane, the threshold is determined by M3D-C1 for multiple time slices of a DIII-D low-collisionality discharge that has pellet ELM triggering. Experimental observations show that a larger pellet size than the standard 1.3 mm diameter is necessary for ELM triggering; 1.8 mm pellets triggered several ELMs in cases where a smaller pellet failed. The M3D-C1 simulations are in good agreement with these observations. While the 2D linear simulations give insight into the change of growth rates for various toroidal modes with pellet size, the 3D nonlinear simulations apply a pellet ablation model that mimics the actual injection with good match to the experiment. The 3D nonlinear simulation confirms the pellet ELM triggering for a pellet size larger than the threshold found by the linear simulations.
Three-dimensional single-shot ptychography
Here we introduce three-dimensional single-shot ptychography (3DSSP). 3DSSP leverages an additional constraint unique to the single-shot geometry to deconvolve multiple 2D planes of a 3D object. Numeric simulations and analytic calculations demonstrate that 3DSSP reconstructs multiple planes in an extended 3D object with a minimum separation consistent with the depth of field for a conventional microscope. We experimentally demonstrate 3DSSP by reconstructing orthogonal hair strands axially separated by 5 mm. 3DSSP provides a pathway towards volumetric imaging of dynamically evolving systems on ultrafast timescales.
Evaluating Retrieval Algorithm Climate Stability: Estimating 3D Optical Thickness Bias Distributions by Cloud Type
Detecting climate trends on large spatiotemporal scales requires accurate, stable measurements and stable retrieval algorithms. We strive to estimate how time-variant retrieval algorithm biases may impact trend detection. Here we focus on the 3D cloud optical thickness (τc) bias, which is among the largest in passive cloud retrieval algorithms. If this bias is time dependent, a possibility with potential decadal changes in cloud morphology, it may obscure genuine trends in τc. Although previous studies have evaluated the cloud- and sun-view geometry-dependent 3D τc bias on small spatial scales, before our current study none have evaluated the stability of this well-known bias on climate-relevant large spatiotemporal scales. These studies must estimate large scale distributions of the 3D τc bias by cloud type and estimate how cloud type amount may change between two climate states. We employ a novel approach to estimate large scale distributions of 3D τc using a proxy of the bias that quantifies the departure of clouds from satisfying the 1D radiative transfer assumption used in passive τc retrievals. This existing globally-distributed proxy is an angular consistency metric that was developed using fused Moderate-Resolution Imaging Spectroradiometer (MODIS) and Multi-angle Imaging Spectroradiometer (MISR) measurements. Calculating the 3D τc bias and the proxy, for known cloud fields enables us to establish statistical relationships between these two quantities, which can be used to calculate large-scale distributions of the 3D τc bias. This approach limits the number of 3D radiative transfer simulations required to only those needed to estimate a statistical relationship between the 3D τc bias for known cloud fields and a proxy of the bias. It is likely that future studies will be needed to evaluate retrieval algorithm bias stability for other geophysical variables as the community develops climate data records from satellite observations and their retrievals. This must be done in addition to monitoring and correcting measurement errors and uncertainties and understanding their impact on retrieved essential climate variables.
Overview of TAE technologies’ HHFW project on LAPD
Simulation survey performed at TAE Technologies, has demonstrated that high harmonic fast wave (HHFW) heating is a promising scenario to heat core electrons of FRC plasma. To prepare the proposed experimental study of HHFW antenna-plasma coupling and wave propagation on LAPD machine at UCLA, a high-power-capable 4-strap antenna has been calculated and designed through collaboration among TAE, ORNL, ASIPP, and UCLA. This antenna was mechanically designed and fabricated by ASIPP and it has been installed recently on LAPD. Meanwhile, by using the Petra-M code, a newly developed generic electromagnetic simulation tool for modeling RF wave propagation, the RF-SciDAC team starts 3D full wave simulations. Detailed information on antenna electromagnetic simulations and mechanical design, as well as preliminary experimental results of wave propagation study with the newly installed phased- array antenna, will be presented in this paper.REFE
Parallel implementation of three-dimensional molecular dynamic simulation for laser-cluster interaction
The objective of this article is to report the parallel implementation of the 3D molecular dynamic simulation code for laser-cluster interactions. The benchmarking of the code has been done by comparing the simulation results with some of the experiments reported in the literature. Scaling laws for the computational time is established by varying the number of processor cores and number of macroparticles used. The capabilities of the code are highlighted by implementing various diagnostic tools. To study the dynamics of the laser-cluster interactions, the executable version of the code is available from the author.
Modeling the Impact of Drizzle and 3D Cloud Structure on Remote Sensing of Effective Radius
Remote sensing of cloud particle size with passive sensors like MODIS is an important tool for cloud microphysical studies. As a measure of the radiatively relevant droplet size, effective radius can be retrieved with different combinations of visible through shortwave infrared channels. MODIS observations sometimes show significantly larger effective radii in marine boundary layer cloud fields derived from the 1.6 and 2.1 pm channel observations than for 3.7 pm retrievals. Possible explanations range from 3D radiative transport effects and sub-pixel cloud inhomogeneity to the impact of drizzle formation on the droplet distribution. To investigate the potential influence of these factors, we use LES boundary layer cloud simulations in combination with 3D Monte Carlo simulations of MODIS observations. LES simulations of warm cloud spectral microphysics for cases of marine stratus and broken stratocumulus, each for two different values of cloud condensation nuclei density, produce cloud structures comprising droplet size distributions with and without drizzle size drops. In this study, synthetic MODIS observations generated from 3D radiative transport simulations that consider the full droplet size distribution will be generated for each scene. The operational MODIS effective radius retrievals will then be applied to the simulated reflectances and the results compared with the LES microphysics.
Comparison of JET AVDE disruption data with M3D simulations and implications for ITER
Nonlinear 3D MHD asymmetric vertical displacement disruption simulations have been performed using JET equilibrium reconstruction initial data. There were several experimentally measured quantities compared with the simulation. These include vertical displacement, halo current, toroidal current asymmetry, and toroidal rotation. The experimental data and the simulations are in reasonable agreement. Also compared was the correlation of the toroidal current asymmetry and the vertical displacement asymmetry. The Noll relation between asymmetric wall force and vertical current moment is verified in the simulations. Also verified is the toroidal flux asymmetry. Though, JET is a good predictor of ITER disruption behavior, JET and ITER can be in different parameter regimes, and extrapolating from JET data can overestimate the ITER wall force.
A study of the early-stage evolution of relativistic electron-ion shock using three-dimensional particle-in-cell simulations
We report the results of a 3D particle-in-cell simulation carried out to study the early-stage evolution of the shock formed when an unmagnetized relativistic jet interacts with an ambient electron-ion plasma. Full-shock structures associated with the interaction are observed in the ambient frame. When open boundaries are employed in the direction of the jet, the forward shock is seen as a hybrid structure consisting of an electrostatic shock combined with a double layer, while the reverse shock is seen as a double layer. The ambient ions show two distinct features across the forward shock: a population penetrating into the shocked region from the precursor region and an accelerated population escaping from the shocked region into the precursor region. This behavior is a signature of a combination of an electrostatic shock and a double layer. Jet electrons are seen to be electrostatically trapped between the forward and reverse shock structures showing a ring-like distribution in a phase-space plot, while ambient electrons are thermalized and become essentially isotropic in the shocked region. The magnetic energy density grows to a few percent of the jet kinetic energy density at both the forward and the reverse shock transition layers in a rather short time scale. We see little disturbance of the jet ions over this time scale.
3D Modeling of Ultrasonic Wave Interaction with Disbonds and Weak Bonds
Ultrasonic techniques, such as the use of guided waves, can be ideal for finding damage in the plate and pipe-like structures used in aerospace applications. However, the interaction of waves with real flaw types and geometries can lead to experimental signals that are difficult to interpret. 3-dimensional (3D) elastic wave simulations can be a powerful tool in understanding the complicated wave scattering involved in flaw detection and for optimizing experimental techniques. We have developed and implemented parallel 3D elastodynamic finite integration technique (3D EFIT) code to investigate Lamb wave scattering from realistic flaws. This paper discusses simulation results for an aluminum-aluminum diffusion disbond and an aluminum-epoxy disbond and compares results from the disbond case to the common artificial flaw type of a flat-bottom hole. The paper also discusses the potential for extending the 3D EFIT equations to incorporate physics-based weak bond models for simulating wave scattering from weak adhesive bonds.
3D Modeling Engine Representation Summary Report
Computers have been used for 3D modeling and simulation, but only recently have computational resources been able to give realistic results in a reasonable time frame for large complex models. This summary report addressed the methods, techniques, and resources used to develop a 3D modeling engine to represent risk analysis simulation for advanced small modular reactor structures and components. The simulations done for this evaluation were focused on external events, specifically tsunami floods, for a hypothetical nuclear power facility on a coastline.
Emergence of Unstable Focused Flow Induced by Variable‐Density Flows in Vertical Fractures
Abstract Fluids with different densities often coexist in subsurface fractures and lead to variable‐density flows that control subsurface processes such as seawater intrusion, contaminant transport, and geologic carbon sequestration. In nature, fractures have dip angles relative to gravity, and density effects are maximized in vertical fractures. However, most studies on flow and transport through fractures are often limited to horizontal fractures. Here, we study the mixing and transport of variable‐density fluids in vertical fractures by combining three‐dimensional (3D) pore‐scale numerical simulations and visual laboratory experiments. Two miscible fluids with different densities are injected through two inlets at the bottom of a fracture and exit from an outlet at the top of the fracture. Laboratory experiments show the emergence of an unstable focused flow path, which we term a “runlet.” We successfully reproduce the unstable runlet using 3D numerical simulations and elucidate the underlying mechanisms triggering the runlet. Dimensionless number analysis shows that the runlet instability arises due to the Rayleigh‐Taylor instability (RTI), and flow topology analysis is applied to identify 3D vortices that are caused by the RTI. Even under laminar flow regimes, fluid inertia is shown to control the runlet instability by affecting the size and movement of vortices. Finally, we confirm the emergence of a runlet in rough‐walled fractures. Since a runlet dramatically affects fluid distribution, residence time, and mixing, the findings in this study have direct implications for the management of groundwater resources and subsurface applications.