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At least 1,153 records · Page 64

Trajectory Simulation Using Multi Model Monte Carlo with Python (MXMCPy)

EDL (Entry, Descent and Landing) is the process from a vehicle approaching a surface to landing on it, such as a Mars rover approaching the planet before landing. POST2 (Program to Optimize Simulated Trajectories 2) is Langley’s primary EDL simulation tool and is used NASA-wide for simulations. POST2 can generate highly accurate results by running a precise, but time consuming, Monte Carlo (MC) simulation hundreds or thousands of times. Though POST2 can produce highly accurate results, it can take unrealistic time spans to generate these results, which has created a need to speed up the simulations. The new NASA software MXMCPy offers various ways to speed up the simulations while getting just as precise results. Instead of running high-precision POST2 simulations many times for traditional MC, MXMCPy can run fewer high-precision POST2 simulations and many less precise POST2 simulations and merge the results. MXMCPy contains 30+ different methods which will each suggest different allocations between model precision levels, which result in results of varying precision based on the POST2 simulation. I created Python and Bash code to automate the 5 steps of MXMCPy’s application to POST2. I also tested the precision of traditional Monte Carlo simulations to MXMCPy aided simulations and found that MXMCPy can achieve substantially more precise solutions at the same computer runtime. I learned Test Driven Development (TDD), a software programming workflow which involves writing computer-automated tests before writing the code which is being tested. These tests are ran every time the code is changed and they can find glitches in the code much quicker than a human can. This programming workflow saved me a lot of time because the automated tests could tell me exactly where the code had stopped working. I plan on using this software development method for future academic and professional software projects. I have greatly enjoyed my work at NASA, so I have been applying to NASA internships and Pathways positions. In addition, I plan on applying what I have learned about Test Driven Development to my computer science courses next semester

James Warner↗

Comparison between Hayabusa 2 Spectral Measurements and Simulations

Recent Hayabusa 2 spectral measurements are compared with state-of-the-art shock-layer radiation simulations resulting from the LAURA/HARA code suite. These simulations include coupled ablation, which accounts for the injection of ablation products into the flowfield, and coupled radiation, which accounts for radiative energy loss in the flowfield. To enable the cou- pled ablation simulations, a best-estimate model is developed for Hayabusa’s carbon-phenolic ablator based on available published information. The comparison between the simulations and measurements focuses on three atomic nitrogen lines, two atomic oxygen lines, one atomic hydrogen line, and the CN Violet band system. Parametric uncertainties are evaluated for these features using a recently developed capability in LAURA/HARA. These uncertainties capture the impact of flowfield and radiation modeling uncertainties on the observed radiation simulations, and include the impact of coupled radiation and ablation product emission. The resulting parametric uncertainties range from 50 to over 100% for the atomic lines, and 80% for CN Violet. Uncertainties in flowfield kinetics and non-Boltzmann modeling provide the dominant contribution to these uncertainties. For the atomic nitrogen and oxygen lines, com- parisons between the nominal simulations and measurements show agreement well within these simulation uncertainty bounds, with the measurements within 20% of the nominal simulation over most of the trajectory, and within 10% at peak emission. This excellent agreement is un- precedented for observed radiation measurements of atomic lines, where previous Stardust and Hayabusa 1 comparisons were significantly worse. The improved agreement for these Hayabusa 2 comparisons is both the result of improved measurement quality and enhanced flowfield and radiation modeling. For the ablation product emission from the 656 nm atomic hydrogen line, the agreement between measurements and simulations is within ±20% for all trajectory points except one outlier. This good comparison is surprising considering this species depends on the ablation rate and is shown to have strong wake contribution, which both contribute to the large ≈±70% parametric uncertainty. For the ablation product emission from CN Violet, the simulations over-predict the measurements by over a factor of two early in the trajectory, with the comparison improving later in the trajectory. This disagreement for CN Violet is consistent with the ≈±80% parametric uncertainty bounds evaluated for the simulations. To utilize the excellent agreement between the atomic line simulations and measurements in the assessment of the radiative heating margin for a future flight vehicle, the flowfield property binning (FPB) approach is applied. Using the Mars Sample Return (MSR) Earth Entry System (EES) as an example, the combination of the excellent Hayabusa comparisons and the FPB analysis justify nearly a 10% reduction in the radiative heating margin from an assumed baseline margin of 30%. This direct quantitative link between observed radiation measurements and the radia- tive heating margin of future flight vehicles demonstrates the value of these observed radiation measurements.

Shock-Layer Radiative Heating↗

Differentiable hybrid neural network approach for enhancing reactor dynamics simulations

Reactor dynamics simulations provide essential insights into the time-dependent behavior of nuclear reactors under various operating conditions. However, high-fidelity simulations can be computationally intensive, requiring significant computational resources. Here, to address this challenge, this study employs a differentiable hybrid model that utilizes neural networks as a corrector to enhance the performance of a low-fidelity simulation, aligning its predictions with those of a high-fidelity simulation. Low-fidelity and high-fidelity simulations were obtained by adjusting the mesh size in the System Dynamics Analysis Tool. The differentiable hybrid model was trained in two approaches: time-step-wise and sequence-wise. It was then applied to simulate various transients in a molten salt reactor. Its performance was evaluated by comparing its responses to transients against those of the high-fidelity simulation. An additional approach was performed using a data-driven model to correct the low-fidelity simulation. In comparison, the differentiable hybrid model showed significant improvements in transient prediction, effectively addressing the limitations of the low-fidelity simulations. The results highlighted the robustness of the differentiable hybrid model in both training approaches. It delivered simulations that were at least 3.8 times faster than high-fidelity models. In the time-step-wise approach, it achieved at least a 39% improvement in accuracy. In the sequence-wise approach, it showed at least an 81% accuracy improvement over the full transient. This approach offers a promising path for improving computational efficiency without compromising accuracy in nuclear reactor simulations, making it suitable for real-time digital twin applications.

42 - ENGINEERING↗

Evaluation of Arctic Warming in Mid-Pliocene Climate Simulations

Palaeoclimate simulations improve our understanding of the climate, inform us about the performance of climate models in a different climate scenario, and help to identify robust features of the climate system. Here, we analyse Arctic warming in an ensemble of 16 simulations of the mid-Pliocene Warm Period (mPWP), derived from the Pliocene Model Intercomparison Project Phase 2 (PlioMIP2). The PlioMIP2 ensemble simulates Arctic (60–90∘ N) annual mean surface air temperature (SAT) increases of 3.7 to 11.6 ∘C compared to the pre-industrial period, with a multi-model mean (MMM) increase of 7.2 ∘C. The Arctic warming amplification ratio relative to global SAT anomalies in the ensemble ranges from 1.8 to 3.1 (MMM is 2.3). Sea ice extent anomalies range from −3.0 to −10.4×106 km2, with a MMM anomaly of −5.6×106 km2, which constitutes a decrease of 53 % compared to the pre-industrial period. The majority (11 out of 16) of models simulate summer sea-ice-free conditions (≤1×106 km2) in their mPWP simulation. The ensemble tends to underestimate SAT in the Arctic when compared to available reconstructions, although the degree of underestimation varies strongly between the simulations. The simulations with the highest Arctic SAT anomalies tend to match the proxy dataset in its current form better. The ensemble shows some agreement with reconstructions of sea ice, particularly with regard to seasonal sea ice. Large uncertainties limit the confidence that can be placed in the findings and the compatibility of the different proxy datasets. We show that while reducing uncertainties in the reconstructions could decrease the SAT data–model discord substantially, further improvements are likely to be found in enhanced boundary conditions or model physics. Lastly, we compare the Arctic warming in the mPWP to projections of future Arctic warming and find that the PlioMIP2 ensemble simulates greater Arctic amplification than CMIP5 future climate simulations and an increase instead of a decrease in Atlantic Meridional Overturning Circulation (AMOC) strength compared to pre-industrial period. The results highlight the importance of slow feedbacks in equilibrium climate simulations, and that caution must be taken when using simulations of the mPWP as an analogue for future climate change.

Palaeoclimate simulations↗

Development of the Artemis Distributed Simulation FOMs

The National Aeronautics and Space Administration (NASA) is formulating and developing the Artemis Program, a collaboration with domestic commercial and international partners that will establish a long term human presence on the Moon and extend human exploration beyond the Earth-Moon system ahead of exploring Mars. These Artemis partners are developing a portfolio of space and surface systems to support human missions to the lunar surface and beyond. The Artemis systems will provide the mobility, habitation, and logistics infrastructure that will support human exploration and foster robust scientific investigations. Each partner will contribute one or more elements to the Artemis Program with NASA having the overarching responsibility for defining the Artemis architecture and guiding the integration of this complex system of space systems. To successfully accomplish this audacious task, NASA will rely on the development and execution of many complex models and simulations. Many of these simulations will be provided by the Artemis partners. While each of these simulations will provide important insight into the characteristics and performance of an associated system, individually they will not provide insight into the integrated performance of the architecture and the system of systems working in concert to execute a given Artemis mission. To address this need, NASA is developing a distributed simulation capability called the Artemis Distributed Simulation (ADS). ADS’s distributed nature supports the complex aggregation of constituent Artemis element simulations. Artemis partner simulations will be able to join into an ADS-based distributed simulation and interact with other Artemis element simulations while limiting the exposure of proprietary designs and data. ADS is defining a distributed simulation capability built on international simulation interoperability standards, specifically the High Level Architecture (HLA) and the Space Reference Federation Object Model (SpaceFOM). While HLA and SpaceFOM provide the substantive necessary technology basis for ADS, additional common datatypes, message definitions, and execution protocols are required. These extensions constitute the ADS Federation Object Model (FOM). This paper describes the fundamental architectural elements of ADS and the FOM extensions needed to support the complex nature of the Artemis Program. This includes the examination of the ADS FOM modules, ADS base datatypes, ADS SpaceFOM Object Class extensions, new ADS Object Classes, and new ADS Interaction Classes.

HLA↗

Development of the Artemis Distributed Simulation FOMs

The National Aeronautics and Space Administration (NASA) is formulating and developing the Artemis Program, a collaboration with domestic commercial and international partners that will establish a long term human presence on the Moon and extend human exploration beyond the Earth-Moon system ahead of exploring Mars. These Artemis partners are developing a portfolio of space and surface systems to support human missions to the lunar surface and beyond. The Artemis systems will provide the mobility, habitation, and logistics infrastructure that will support human exploration and foster robust scientific investigations. Each partner will contribute one or more elements to the Artemis Program with NASA having the overarching responsibility for defining the Artemis architecture and guiding the integration of this complex system of space systems. To successfully accomplish this audacious task, NASA will rely on the development and execution of many complex models and simulations. Many of these simulations will be provided by the Artemis partners. While each of these simulations will provide important insight into the characteristics and performance of an associated system, individually they will not provide insight into the integrated performance of the architecture and the system of systems working in concert to execute a given Artemis mission. To address this need, NASA is developing a distributed simulation capability called the Artemis Distributed Simulation (ADS). ADS’s distributed nature supports the complex aggregation of constituent Artemis element simulations. Artemis partner simulations will be able to join into an ADS-based distributed simulation and interact with other Artemis element simulations while limiting the exposure of proprietary designs and data. ADS is defining a distributed simulation capability built on international simulation interoperability standards, specifically the High Level Architecture (HLA) and the Space Reference Federation Object Model (SpaceFOM). While HLA and SpaceFOM provide the substantive necessary technology basis for ADS, additional common datatypes, message definitions, and execution protocols are required. These extensions constitute the ADS Federation Object Model (FOM). This paper describes the fundamental architectural elements of ADS and the FOM extensions needed to support the complex nature of the Artemis Program. This includes the examination of the ADS FOM modules, ADS base datatypes, ADS SpaceFOM Object Class extensions, new ADS Object Classes, and new ADS Interaction Classes.

HLA↗

Quasi-brittle porous material: Simulated effect of stochastic air void structure on compressive strength

Highlights: • A simulation procedure to study the effect of porosity on the compressive strength of a quasi-brittle material is introduced • Based on the simulated results, the relationship between compressive strength and air void fraction (porosity) is presented. • A linear relationship was achieved between the cubic root of porosity and the simulated compressive strength. The effect of porosity comprised of spherical air voids on the compressive strength of quasi-brittle material was studied via simulations. The simulated porous structures were based on pore size distributions of two mortar samples measured by X-ray microtomography. While the simulation method set practical limits on the size of sample, the base of the statistics was established by simulating 128 small structures generated by sampling from pore structures of two mortars. By studying the application of the classical strength-porosity formulas to the simulated data, a new simple model was formed. A linear relationship was achieved between the cubic root of air void fraction (porosity) and the simulated compressive strength. The reasons for scattering of simulated strength around fitted trend remained unresolved in this study; no clear dependence on pore number or other distribution properties was observed. With the presented simulation approach, the dependence of compressive strength on porosity is achieved independently of disturbances that occur in experimental studies creating understanding of compressional behavior of low porosity materials.

36 MATERIALS SCIENCE↗

Transmission-and-Distribution Dynamic Co-simulation Framework for Distributed Energy Resource Frequency Response

The rapid deployment of distributed energy resources (DERs) in distribution networks has made it challenging to balance the transmission system and stabilize frequency. DERs have the ability to provide frequency regulation services; however, existing frequency dynamic simulation tools - which were developed mainly for the transmission system - lack the capability to simulate distribution network dynamics with high penetrations of DERs. Although electromagnetic transient simulation tools can simulate distribution network dynamics, the computation efficiency limits their use for large-scale transmission-and-distribution (T&D) co-simulation. This paper presents an efficient open-source T&D dynamic co-simulation framework for DER frequency response based on the HELICS platform and off-the-shelf T&D simulators. The challenge of synchronizing the simulation time between the transmission network and the DERs in the distribution network is solved through the detailed modeling of DERs in frequency dynamic models while DER power flow models are also preserved in the distribution networks, thereby respecting local voltage constraints when dispatching DER power for frequency response. DER frequency response (primary and secondary) is simulated in case studies to validate the proposed framework. Last, the accuracy of the proposed co-simulation model is benchmarked, and a large T&D system simulation (2k transmission and 1M distribution nodes) is presented to demonstrate the efficiency and effectiveness of the overall framework.

24 POWER TRANSMISSION AND DISTRIBUTION↗

SU-F-I-79: Validation of a Monte Carlo Radiographic Simulation

Purpose: To validate a radiographic simulation in order to estimate patient dose due to clinically-used radiography protocols. Methods: A Monte Carlo simulation was created to simulate a radiographic x-ray beam using GEANT4. Initial validation was performed according to a portion of TG 195. Computational NURBS-based phantoms were used simulate patients of varying ages and sizes. The deposited energy in the phantom is output by the simulation. The exposure in air from a clinically used radiography unit was measured at 100 cm for various tube potentials. 10 million photons were simulated with 1 cubic centimeter of air located 100 cm from the source, and the total absorbed dose was noted. The normalization factor was determined by taking a ratio of the measured dose in air to the simulated dose in air. Dose to individual voxels is calculated using the energy deposition map along with the voxelized and segmented phantom and the normalization factor. Finally, the effective dose is calculated using the ICRP methodology and tissue weighting factors. Results: This radiography simulation allows for the calculation and visualization of the energy deposition map within a voxelized phantom. The ratio of exposure, measured using an ionization chamber, to air in the simulation was determined. Since the simulation output is calibrated to match the exposure of a given clinical radiographic x-ray tube, the dose map may be visualized. This will also allow for absorbed dose estimation in specific organs or tissues as well as a whole body effective dose estimation. Conclusion: This work indicates that our Monte Carlo simulation may be used to estimate the radiation dose from clinical radiographic protocols. This will allow for an estimate of radiographic dose from various examinations without the use of traditional methods such as thermoluminescent dosimeters and body phantoms.

60 APPLIED LIFE SCIENCES↗

WE-H-BRA-04: Biological Geometries for the Monte Carlo Simulation Toolkit TOPASNBio

Purpose: New advances in radiation therapy are most likely to come from the complex interface of physics, chemistry and biology. Computational simulations offer a powerful tool for quantitatively investigating radiation interactions with biological tissue and can thus help bridge the gap between physics and biology. The aim of TOPAS-nBio is to provide a comprehensive tool to generate advanced radiobiology simulations. Methods: TOPAS wraps and extends the Geant4 Monte Carlo (MC) simulation toolkit. TOPAS-nBio is an extension to TOPAS which utilizes the physics processes in Geant4-DNA to model biological damage from very low energy secondary electrons. Specialized cell, organelle and molecular geometries were designed for the toolkit. Results: TOPAS-nBio gives the user the capability of simulating biological geometries, ranging from the micron-scale (e.g. cells and organelles) to complex nano-scale geometries (e.g. DNA and proteins). The user interacts with TOPAS-nBio through easy-to-use input parameter files. For example, in a simple cell simulation the user can specify the cell type and size as well as the type, number and size of included organelles. For more detailed nuclear simulations, the user can specify chromosome territories containing chromatin fiber loops, the later comprised of nucleosomes on a double helix. The chromatin fibers can be arranged in simple rigid geometries or within factual globules, mimicking realistic chromosome territories. TOPAS-nBio also provides users with the capability of reading protein data bank 3D structural files to simulate radiation damage to proteins or nucleic acids e.g. histones or RNA. TOPAS-nBio has been validated by comparing results to other track structure simulation software and published experimental measurements. Conclusion: TOPAS-nBio provides users with a comprehensive MC simulation tool for radiobiological simulations, giving users without advanced programming skills the ability to design and run complex simulations.

60 APPLIED LIFE SCIENCES↗

TH-CD-207A-08: Simulated Real-Time Image Guidance for Lung SBRT Patients Using Scatter Imaging

Purpose: To develop a comprehensive Monte Carlo-based model for the acquisition of scatter images of patient anatomy in real-time, during lung SBRT treatment. Methods: During SBRT treatment, images of patient anatomy can be acquired from scattered radiation. To rigorously examine the utility of scatter images for image guidance, a model is developed using MCNP code to simulate scatter images of phantoms and lung cancer patients. The model is validated by comparing experimental and simulated images of phantoms of different complexity. The differentiation between tissue types is investigated by imaging objects of known compositions (water, lung, and bone equivalent). A lung tumor phantom, simulating materials and geometry encountered during lung SBRT treatments, is used to investigate image noise properties for various quantities of delivered radiation (monitor units(MU)). Patient scatter images are simulated using the validated simulation model. 4DCT patient data is converted to an MCNP input geometry accounting for different tissue composition and densities. Lung tumor phantom images acquired with decreasing imaging time (decreasing MU) are used to model the expected noise amplitude in patient scatter images, producing realistic simulated patient scatter images with varying temporal resolution. Results: Image intensity in simulated and experimental scatter images of tissue equivalent objects (water, lung, bone) match within the uncertainty (∼3%). Lung tumor phantom images agree as well. Specifically, tumor-to-lung contrast matches within the uncertainty. The addition of random noise approximating quantum noise in experimental images to simulated patient images shows that scatter images of lung tumors can provide images in as fast as 0.5 seconds with CNR∼2.7. Conclusions: A scatter imaging simulation model is developed and validated using experimental phantom scatter images. Following validation, lung cancer patient scatter images are simulated. These simulated patient images demonstrate the clinical utility of scatter imaging for real-time tumor tracking during lung SBRT.

60 APPLIED LIFE SCIENCES↗

Evaluation of Turbulence and Dispersion in Multiscale Atmospheric Simulations over Complex Urban Terrain during the Joint Urban 2003 Field Campaign

Abstract This paper evaluates the representation of turbulence and its effect on transport and dispersion within multiscale and microscale-only simulations in an urban environment. These simulations, run using the Weather Research and Forecasting Model with the addition of an immersed boundary method, predict transport and mixing during a controlled tracer release from the Joint Urban 2003 field campaign in Oklahoma City, Oklahoma. This work extends the results of a recent study through analysis of turbulence kinetic energy and turbulence spectra and their role in accurately simulating wind speed, direction, and tracer concentration. The significance and role of surface heat fluxes and use of the cell perturbation method in the numerical simulation setup are also examined. Our previous study detailed the model development necessary for our multiscale simulations, examined model skill at predicting wind speeds and tracer concentrations, and demonstrated that dynamic downscaling from mesoscale to microscale through a sequence of nested simulations can improve predictions of transport and dispersion relative to a microscale-only simulation forced by idealized meteorology. Here, predictions are compared with observations to assess qualitative agreement and statistical model skill at predicting wind speed, wind direction, tracer concentration, and turbulent kinetic energy at locations throughout the city. We also investigate the scale distribution of turbulence and the associated impact on model skill, particularly for predictions of transport and dispersion. Our results show that downscaled large-scale turbulence, which is unique to the multiscale simulations, significantly improves predictions of tracer concentrations in this complex urban environment. Significance Statement Simulations of atmospheric transport and mixing in urban environments have many applications, including pollution modeling for urban planning or informing emergency response following a hazardous release. These applications include phenomena with spatial scales spanning from millimeters to kilometers. Most simulations resolve flow only within the urban area of interest, omitting larger scales of turbulence and regional influences. This study examines a method that resolves both the small and large-scale flow features. We evaluate simulation accuracy by comparing predictions with observations from an experiment involving the release of a tracer gas in Oklahoma City, Oklahoma, with emphasis on correctly modeling turbulent fluctuations. Our results demonstrate the importance of resolving large-scale flow features when predicting transport and dispersion in urban environments.

42 ENGINEERING↗

LADEE Multi-Domain Simulation

The Lunar Atmosphere Dust Environment Explorer (LADEE) was a small explorer class spacecraft that was launched on Sept 7, 2013 and that was de-orbited and successfully impacted the Moons surface on April 17, 2014 after completing all of the mission objectives. The low-cost rapidly prototyped hardware design used for the spacecraft was extend to the development of the software base. To achieve this goal, a Model Based Design approach was utilized to develop the onboard flight software, and out of this development a model based multipurpose simulator was created of the LADEE spacecraft and its mission environment. This simulator extended the traditional function of propagating the vehicle's kinematic and rotational states and included the electrical and thermal states propagation. Traditionally, these domains are handled by domain specific high fidelity simulations that use the states histories from other domains as input. By reducing the fidelity and abstracting the relevant features being monitored and controlled by the flight software, it was possible to model the coupling across these domains resulting in more accurate overall system behavior. A faster than real-time workstation (WSIM) version of the LADEE simulator was used to develop and test the software control algorithms in the Simulink environment. To maximize the performance of the simulation, modeling knobs were introduced to reduce the resolution of the some of the domains models when the effects of that domain were not significant for the scope of that simulation. The automatic code generation feature in Simulink was used to port the simulation to several real-time environments to support Processor-in-the-Loop (PIL) and Hardware-in-the-Loop (HIL) testing, verification and validation. The real-time environment required that the design of each of the domain models be deterministic as possible in the time required to perform all of the calculations to update its states. The simulation interface was designed to be compatible with the command interface employed by the LADEE mission operation team. The WSIM, PIL, and HIL simulators thus used a common interface and thus were used for flight software testing, for mission operations personnel training (nominal and off-nominal operations) prior to the mission and to perform command sequence verification during the mission. This presentation will look at the modeling strategies used to create a common interface to the simulator and to model and couple multiple domains within the simulation, the results of those strategies, and the lessons learned.

Multi-Domain↗

CFD 2030 Grand Challenge: CFD-in-the-Loop Monte Carlo Flight Simulation for Space Vehicle Design

Flight qualification of space vehicles is markedly different from those typically employed for aircraft. The concept of an extensive flight test campaign for a space vehicle does not exist, and vehicle designers must look to alternative techniques for demonstrating robust and reliable performance of their vehicles prior to operational flight. A space vehicle may undergo only a handful of flight tests in its development cycle, with each flight representing a drastically different flight phase or flight configuration. For instance, NASA’s Space Launch System (SLS) launch vehicle and Orion spacecraft will only see a total of four flight demonstrations before flying a crew on its first operational mission, and each flight demonstrates a unique vehicle configuration and/or set of flight conditions. The SLS will be flown only one time before it becomes operational (Artemis 1). The Orion spacecraft Crew Module (CM) will have been tested twice, once on a Delta IV launch vehicle (Exploration Flight Test 1) and once as a fully integrated system with the SLS launch vehicle (Artemis 1). The Orion Launch abort system will have been tested twice, once in a pad abort scenario (Pad Abort 1) and once in an inflight abort scenario (Ascent Abort 2) on a modified Peacekeeper booster. Both of these latter tests involve only a boiler plate CM, not a functional Orion spacecraft. Thus, unlike aircraft, there is very little opportunity for engineers to assess and evaluate their preflight predictions. Instead, space vehicle designers rely on Monte Carlo flight simulations with detailed dispersions of predicted nominal flight behavior to determine how robust their design is to errors and uncertainties in the flight conditions their vehicle may encounter. These Monte Carlo analyses entail thousands of trajectory simulations to demonstrate that the vehicle can meet design requirements at a specified level of reliability. From an aerodynamics and aerothermodynamics perspective, these trajectory simulations are fueled by an extensive aerodynamic database that covers the complete range of expected flight conditions, vehicle configurations, and flight attitudes expected in a given mission. Today, these databases amount to a table of engineering parameters that can be quickly interrogated by the trajectory simulator. The aerodynamic and aerothermodynamic databases are assembled via a series of ground tests, empirical and analytical analysis, physics-based computational analysis, applicable past flight performance data, and in some cases, engineering judgment. These databases generally take years to assemble for a new space vehicle system and in the case of SLS/Orion, over a decade of test and analysis have been expended to develop the extensive databases required to cover the myriad of configurations and potential flight conditions required for the system. Recently, it has been proposed that Computational Fluid Dynamic (CFD) and computing capability may be reaching a point where it is foreseeable that CFD could be integrated directly into the production trajectory simulation tools used to design NASA’s space vehicles. To demonstrate this, NASA has embarked on two demonstrations of this type of capability, one where six degree of freedom flight trajectory simulation equations are embedded in an existing CFD solver and another where a production CFD solver is loosely coupled with a production trajectory simulation tool. These efforts represent an initial demonstration of a future approach to flight trajectory simulation, but they are a far cry from the capability required to perform a full-up CFD-in-the-loop Monte Carlo trajectory simulation. Therefore, this represents a viable grand challenge for computational methods addressing space vehicle design and development. The final paper/presentation will discuss the many hurdles, beyond simply raw computational power, to realizing this grand challenge and how they map directly to the CFD Vision 2030 ojectives. Among these are the wide range of flight conditions, including accelerating/decelerating flight, encountered by a space vehicle during launch and/or entry. The vehicle can also encounter numerous configuration changes, some of which can be quite drastic, during the course of its flight, so robust, automated geometry modeling, grid generation, and adaptation will play a huge role in reaching this goal. Multiply this by 1000’s of trajectory simulations occurring simultaneously in a given Monte Carlo analysis, and the problem readily scales to absorb virtually any size of supercomputer envisioned today. The concept of CFD-in-the-loop Monte Carlo trajectory simulation poses a formidable challenge for emerging and future computing systems, and it has the potential to shave years off the development cycle for aerodynamic and aerothermodynamic performance predictions as compared to today’s space vehicle design approach.

CFD 2030↗

Multiple RANS Scheme for the CFD Simulation of PWR

Though best-estimate system codes have been well established, the assumptions for the simplification of the conservation equations will be invalid when 3D effects play an important role in the object. The inner domain of PWR can create high 3D effects because of the disturbance of mixing vanes and the complex distribution of flow resistance. With the finest mesh to study the flow and heat transfer process of a nuclear reactor, a CFD simulation can give a perfect understanding of the physical processes in a whole reactor. However, more than 10 thousands of subchannels exist in a typical pressurized water reactor (PWR). These subchannels are narrow, comprising complex spacer grids and mixing vanes. The need of both the computational resources and the simulation time is great, which is not good for the simulation efficiency. However, the efficiency is critical for the CFD simulation of a PWR. It is meaningless if the simulation does not end. To improve the efficiency, one approach is to well consider the turbulence model used in a CFD simulation, because some models are complex and require great computing resources and time. On the contrary, some models are simple, but are also suitable to reflect the physical status in a PWR. Furthermore, the effects of the typical structures of PWR should also be clarified. They are closely related to the flow mechanism. The CFD simulation may be simplified by such effects. The objective of this research is to study the flow characteristics affected by the turbulence models and typical structures. The authors then design a scheme based on the regularities of the flow characteristics to improve the efficiency of the CFD simulation for PWR. By this research, we found: 1) The mixing vanes, a typical structure of a PWR, make the anisotropic eddy viscosity cannot be ignored for the region with short distance downstream of this structure; 2) Outside of this region, the RANS models, regardless of whether they are isotropic or anisotropic, can obtain similar results. To improve the simulation efficiency, a CFD scheme is designed by the hybrid application of multiple RANS models (MRANS). In this scheme, the major domain with low anisotropic viscosity uses the turbulence model which requires the least time. The difference is just little in the comparison with a simulation using the anisotropic RANS model for the whole computational domain. The MRANS scheme thus will be significant to improve the efficiency of the CFD simulation for a whole PWR.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Constant-depth circuits for dynamic simulations of materials on quantum computers

Abstract Dynamic simulation of materials is a promising application for near-term quantum computers. Current algorithms for Hamiltonian simulation, however, produce circuits that grow in depth with increasing simulation time, limiting feasible simulations to short-time dynamics. Here, we present a method for generating circuits that are constant in depth with increasing simulation time for a specific subset of one-dimensional (1D) materials Hamiltonians, thereby enabling simulations out to arbitrarily long times. Furthermore, by removing the effective limit on the number of feasibly simulatable time-steps, the constant-depth circuits enable Trotter error to be made negligibly small by allowing simulations to be broken into arbitrarily many time-steps. For an N -spin system, the constant-depth circuit contains only $\mathcal {O}(N^{2})$ O ( N 2 ) CNOT gates. Such compact circuits enable us to successfully execute long-time dynamic simulation of ubiquitous models, such as the transverse field Ising and XY models, on current quantum hardware for systems of up to 5 qubits without the need for complex error mitigation techniques. Aside from enabling long-time dynamic simulations with minimal Trotter error for a specific subset of 1D Hamiltonians, our constant-depth circuits can advance materials simulations on quantum computers more broadly in a number of indirect ways.

Materials simulation↗

Iterative sampling of expensive simulations for faster deep surrogate training

Deep neural network (DNN) surrogates of expensive physics simulations are enabling a rapid change in the way that common experimental design and analysis tasks are approached. Surrogate models allow simulations to be performed in parallel and separately from downstream tasks, thereby enabling analyses that would be impossible with the simulation in-the-loop; surrogates based on DNNs can effectively emulate diverse non-scalar data of the types collected in fusion and laboratory-astrophysics experiments. The challenge is in training the surrogate model, for which large ensembles of physics simulations must be run, preferably without wasting computational effort on uninteresting simulations. Here, in this paper, we present an iterative sampling scheme that can preferentially propose simulations in interesting regions of parameter space without neglecting unexplored regions, allowing high-quality and wide-ranging surrogate models to be trained using 2–3 times fewer simulations compare to space-filling designs. Our approach uses an explicit importance function defined on the simulation output space, balanced against a measure of simulation density which serves as a proxy for surrogate accuracy. It is easy to implement and can be tuned to find interesting simulations early in the study, allowing surrogates to be trained quickly and refined as new simulations become available; this represents an important step towards the routine generation of deep surrogate models quickly enough to be truly relevant to experimental work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Uncertainty and feasibility of dynamical downscaling for modeling tropical cyclones for storm surge simulation

This paper presents a modeling study conducted to evaluate the uncertainty of a regional model in simulating hurricane wind and pressure fields, and the feasibility of driving coastal storm surge simulation using an ensemble of region model outputs produced by 18 combinations of three convection schemes and six microphysics parameterizations, using Hurricane Katrina as a test case. Simulated wind and pressure fields were compared to observed H*Wind data for Hurricane Katrina and simulated storm surge was compared to observed high-water marks on the northern coast of the Gulf of Mexico. The ensemble modeling analysis demonstrated that the regional model was able to reproduce the characteristics of Hurricane Katrina with reasonable accuracy and can be used to drive the coastal ocean model for simulating coastal storm surge. Results indicated that the regional model is sensitive to both convection and microphysics parameterizations that simulate moist processes closely linked to the tropical cyclone dynamics that influence hurricane development and intensification. The Zhang and McFarlane (ZM) convection scheme and the Lim and Hong (WDM6) microphysics parameterization are the most skillful in simulating Hurricane Katrina maximum wind speed and central pressure, among the three convection and the six microphysics parameterizations. Error statistics of simulated maximum water levels were calculated for a baseline simulation with H*Wind forcing and the 18 ensemble simulations driven by the regional model outputs. The storm surge model produced the overall best results in simulating the maximum water levels using wind and pressure fields generated with the ZM convection scheme and the WDM6 microphysics parameterization.

Yang, Zhaoqing↗