Development and Validation of Passive Yaw in the Open-Source WEC-Sim Code.
Abstract not provided.
Forbush, Dominic↗
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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Hybrid-VPIC: An open-source kinetic/fluid hybrid particle-in-cell code
Hybrid-VPIC is an extension of the open-source high-performance particle-in-cell (PIC) code VPIC incorporating hybrid kinetic ion/fluid electron solvers. This paper describes the models that are available in the code and gives an overview of applications of the code to space and laboratory plasma physics problems. Particular choices in how the hybrid solvers were implemented are documented for reference by users. A few solutions for handling numerical complications particular to hybrid codes are also described. Finally, special emphasis is given to the computationally taxing problem of modeling mix in collisional high-energy-density regimes, for which more accurate electron fluid transport coefficients have been implemented for the first time in a hybrid PIC code.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
General Mission Analysis Tool (GMAT) Architectural Specification. Draft
Early in 2002, Goddard Space Flight Center (GSFC) began to identify requirements for the flight dynamics software needed to fly upcoming missions that use formations of spacecraft to collect data. These requirements ranged from low level modeling features to large scale interoperability requirements. In 2003 we began work on a system designed to meet these requirement; this system is GMAT. The General Mission Analysis Tool (GMAT) is a general purpose flight dynamics modeling tool built on open source principles. The GMAT code is written in C++, and uses modern C++ constructs extensively. GMAT can be run through either a fully functional Graphical User Interface (GUI) or as a command line program with minimal user feedback. The system is built and runs on Microsoft Windows, Linux, and Macintosh OS X platforms. The GMAT GUI is written using wxWidgets, a cross platform library of components that streamlines the development and extension of the user interface Flight dynamics modeling is performed in GMAT by building components that represent the players in the analysis problem that is being modeled. These components interact through the sequential execution of instructions, embodied in the GMAT Mission Sequence. A typical Mission Sequence will model the trajectories of a set of spacecraft evolving over time, calculating relevant parameters during this propagation, and maneuvering individual spacecraft to maintain a set of mission constraints as established by the mission analyst. All of the elements used in GMAT for mission analysis can be viewed in the GMAT GUI or through a custom scripting language. Analysis problems modeled in GMAT are saved as script files, and these files can be read into GMAT. When a script is read into the GMAT GUI, the corresponding user interface elements are constructed in the GMAT GUI. The GMAT system was developed from the ground up to run in a platform agnostic environment. The source code compiles on numerous different platforms, and is regularly exercised running on Windows, Linux and Macintosh computers by the development and analysis teams working on the project. The system can be run using either a graphical user interface, written using the open source wxWidgets framework, or from a text console. The GMAT source code was written using open source tools. GSFC has released the code using the NASA open source license.
Hughes, Steven P.↗
Numerical simulation of involute-plate research reactor flow behavior using RANS, LES and DNS
This paper investigates the flow behavior of involute-plate research reactors by performing Reynolds-Averaged Navier Stokes simulation (RANS), Large Eddy Simulation (LES) and Direct Numerical Simulation (DNS) of the channel flow between fuel plates. By modeling turbulence with different numerical approaches, this study provides data with three levels of fidelity. For the RANS simulation, three widely used turbulence models, i.e., k-ε, k-ω, Reynolds Stress Turbulence model (RST) are applied by using the commercial CFD code STAR-CCM +. For LES and DNS, the open-source CFD code, Nek5000, is used given its outstanding scalability on High Performance Computer (HPC) and high-order technique. The results from RANS simulations are compared with that from LES and DNS for benchmarking. Both macroscale parameters and turbulence statistics, such as velocity magnitude, lateral velocity and turbulence kinetic energy, are presented and analyzed. The results from RANS simulation achieve good agreement with LES and DNS on velocity and turbulence kinetic energy prediction. The RST turbulence model predicts the most similar flow pattern of lateral velocity as compared to LES and DNS. The Lambda-2 (λ2) criterion with a reasonable threshold is used to demonstrate the instantaneous vortices distribution in the involute channel from both LES and DNS calculation. The DNS simulation captures more detailed turbulence especially near the corner, which explains the discrepancy between LES and DNS results near the corner. The normalized RMS error are defined and calculated to assess the performance of those turbulence models. The RST model captures the anisotropic feature of turbulence, which enable it to outperform other turbulence models for predicting the flow behavior in an involute channel. Although some discrepancies are found between LES and DNS results in the corner, the overall deviations between LES and DNS are found to be small. In conclusion, given that the computational cost of DNS calculation is an order of magnitude higher, using LES data for benchmarking RANS model is a cost-effective approach.
DNS↗
MONTE CARLO CROSS SECTION LOOKUP KERNEL FOR THE CEREBRAS WSE-2 IN CSL
This is a small kernel that was used to collect data for an upcoming paper. We would like to have the code be open source so that the reviewers (and then readers) of the paper can see the whole code, and can reproduce/verify our results. This is not a fully featured application, it cannot produce any useful simulation results, it just executes a small abstracted kernel using synthetic data. The purpose of the kernel is to understand the basic performance characteristics of an HPC kernel on novel AI accelerator architectures. The main kernel is written in the CSL coding language for use with the Cerebras WSE-2 AI accelerator. The kernel represented is the Monte Carlo cross section lookup kernel, which is a small kernel used by the Monte Carlo neutral particle transport algorithm. There is also a baseline kernel written in CUDA that we will include in the repository to form a basis for comparing the WSE-2 to GPU.
Tramm, John↗
RAM-SCB Runs on Request at CCMC
The Ring current–Atmosphere interactions Model (RAM) with Self-Consistent magnetic (B) field (SCB) combines a large-scale kinetic model of ring current plasma with a three-dimensional (3-D) force-balanced model of the terrestrial magnetic field. RAM-SCB simulates the evolution of major ion species (H + , O + , and He + by default) and electrons as a function of azimuth, radial distance, energy, and pitch angle. Simulation outputs include the Dst index, and pressure and differential flux of the modeled species, thus providing benefit as a science code and to inform surface charging hazard within the model domain. Version 2.2 of this open-source simulation code has now—as of 8 August 2023—been made available for Runs-On-Request via the Community Coordinated Modeling Center.
79 ASTRONOMY AND ASTROPHYSICS↗
Standards, dissemination, and best practices in systems biology
In this study, the reproducibility of scientific research is crucial to the success of the scientific method. Here, we review the current best practices when publishing mechanistic models in systems biology. We recommend, where possible, to use software engineering strategies such as testing, verification, validation, documentation, versioning, iterative development, and continuous integration. In addition, adhering to the Findable, Accessible, Interoperable, and Reusable modeling principles allows other scientists to collaborate and build off of each other’s work. Existing standards such as Systems Biology Markup Language, CellML, or Simulation Experiment Description Markup Language can greatly improve the likelihood that a published model is reproducible, especially if such models are deposited in well-established model repositories. Where models are published in executable programming languages, the source code and their data should be published as open-source in public code repositories together with any documentation and testing code. For complex models, we recommend container-based solutions where any software dependencies and the run-time context can be easily replicated.
59 BASIC BIOLOGICAL SCIENCES↗
Phoebe: a high-performance framework for solving phonon and electron Boltzmann transport equations
Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors, and energy conversion devices. Computational modeling can accurately predict material properties but, in order to be reliable, requires accurate descriptions of electron and phonon states and their interactions. While first-principles methods are capable of describing the energy spectrum of each carrier, using them to compute transport properties is still a formidable task, both computationally demanding and memory intensive, requiring integration of fine microscopic scattering details for estimation of macroscopic transport properties. To address this challenge, we present Phoebe—a newly developed software package that includes the effects of electron–phonon, phonon–phonon, boundary, and isotope scattering in computations of electrical and thermal transport properties of materials with a variety of available methods and approximations. This open source C++ code combines MPI-OpenMP hybrid parallelization with GPU acceleration and distributed memory structures to manage computational cost, allowing Phoebe to effectively take advantage of contemporary computing infrastructures. We demonstrate that Phoebe accurately and efficiently predicts a wide range of transport properties, opening avenues for accelerated computational analysis of complex crystals.
36 MATERIALS SCIENCE↗
The Random Ray Method Versus Multigroup Monte Carlo: The Method of Characteristics in OpenMC and SCONE
The Random Ray Method (TRRM) is a recently developed approach to solving neutral particle transport problems based on the Method of Characteristics. While the method previously has been implemented only in closed-source or limited-functionality codes, this work describes its implementation in two open-source Monte Carlo codes: OpenMC and SCONE. The random ray implementations required small modifications to the existing Multigroup Monte Carlo (MGMC) solvers, offering a rare venue for redundant, fine-grained, "apples-to-apples" speed and accuracy comparisons between transport methods. To this end, TRRM and MGMC solvers are evaluated against each other using each code's native capabilities on reactor eigenvalue problems with different degrees of energy discretization. On the C5G7 benchmark (featuring only seven energy groups), TRRM achieves a maximum pin power error comparable to or lower than that of MGMC for a given run time. On a problem with 69 energy groups, MGMC is found to scale more efficiently, obtaining a lower pin power error for a given run time. However, the defining difference between the two transport methods is found to be their vastly different uncertainty distributions. Specifically, TRRM is found to maintain similar levels of accuracy and uncertainty throughout the simulation domain whereas MGMC can exhibit orders-of-magnitude greater errors in areas of the problem that feature low neutron flux. For instance, TRRM provided an up to 373 times speed advantage compared with MGMC for computing the flux in low-flux regions in the moderator surrounding the C5G7 core.
42 ENGINEERING↗
Modeling Z-Pinches with the FLASH code
Z-Pinches occur when large amounts of current are run axially through a cylindrical conducting material, and the magnetic pressure causes said material to implode radially to its z-axis. They are useful concepts in a large range of physics and fields like fusion. Simulating these experiments are important to not only national laboratories but also in the private sector as well. FLASH is an open source MHD code that is a useful option for modeling these experiments. However, the physics needed to be verified against an actual theory. Using a paper written by S.A Slutz, Z-Pinch experiments were run with FLASH based on the parameters described in the paper, and then results were validated against the theory presented. This verified that FLASH, although has some discrepancies in the theory due to a difference in physics calculations, remains a powerful tool for modeling Z-Pinch experiments not only on the scale of the Z-Machine from Sandia National Laboratory, but also at the scale of the proposed Next Generation Pulsed Power (NGPP) machine.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
The case for free and open source software in research and scholarship
Free and open source software (FOSS) is any computer program released under a licence that grants users rights to run the program for any purpose, to study it, to modify it, and to redistribute it in original or modified form. Here, our aim is to explore the intersection between FOSS and computational reproducibility. We begin by situating FOSS in relation to other ‘open’ initiatives, and specifically open science, open research, and open scholarship. In this context, we argue that anyone who actively contributes to the research process today is a computational researcher, in that they use computers to manage and store information. We then provide a primer to FOSS suitable for anyone concerned with research quality and sustainability—including researchers in any field, as well as support staff, administrators, publishers, funders, and so on. Next, we illustrate how the notions introduced in the primer apply to resources for scientific computing, with reference to the GNU Scientific Library as a case study. We conclude by discussing why the common interpretation of ‘open source’ as ‘open code’ is misplaced, and we use this example to articulate the role of FOSS in research and scholarship today.
97 MATHEMATICS AND COMPUTING↗
Priority-enabled Load Balancing for Dispersed Computing
Opportunistic managed access to local in-network compute resources can improve the performance of distributed applications and reduce the dependence on shared network resources. Instead of backhauling application data to a centralized cloud data center for processing, networked services may be adaptively and continuously dispersed into shared compute resources that are closer to the source of need. While this approach has several benefits, support for mission-aware access to computation is often an afterthought, and is implemented as a brittle extension over traditional load-balancer solutions.In this work, we investigate the design of two priority-aware resource allocation strategies and two load-balancing dispatching strategies as first class citizens in an open-source dispersed computing middleware. We present a control theoretic analysis of these load-balancing primitives to identify weaknesses and strengths in our design, and recommend future directions. In parallel, we prototype two priority-aware allocation algorithms to validate our priority predictions. In initial experiments our prototype shows substantial gains in processing prioritized load. Finally, we make our source-code and experimental configurations open source.
Paulos, Aaron↗
A Comparison of GPU-Accelerated Multiphase CFD Solvers on the Polaris Supercomputer: Part 1
This report is in support of the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program sponsored by the U.S. Department of Energy (USDOE). With INCITE-level resources, one project, titled BubblyFlow, was granted computational resources for the 2025 calendar year on the Polaris supercomputer at the Argonne Leadership Computing Facility (ALCF). The project aims to conduct simulations to understand the fundamental characteristics of turbulent bubbly flow phenomena in nature. Staff at the ALCF and Argonne’s Computational Science division, along with collaborators at the City College of New York and University of Illinois at Chicago, helped a summer student to assess the accuracy and performance of two high performance computing (HPC) codes. Both codes, ImExLBM and FluTAS, are fundamentally different in their mathematical and numerical modeling. However, both may be used to solve the same physical problem. The collaboration sought to better understand the differences between both codes in terms of accuracy and efficiency. This would ultimately help the BubblyFlow project better utilize resources and establish a knowledge-base of code capabilities in future simulation campaigns. We compare ImExLBM and FluTAS, two high-performance multiphase computational fluid dynamics (CFD) solvers, in terms of physical fidelity, time-to-solution, and parallel efficiency. We validate ImExLBM (Implicit-Explicit Lattice Boltzmann Method) against a canonical benchmark and assess it’s performance relative to FluTAS (Fluid Transport Accelerated Solver), a well-established open-source CFD code.
97 MATHEMATICS AND COMPUTING↗
A Practical Guide to Writing a Radiative Transfer Code
Using our decades-long experience in radiative transfer (RT) code development for Earth science, we endeavor to reduce the knowledge gap of bringing RT from theory to code quickly. Despite numerous classic and recent literature, it is still hard to develop anRT code from scratch within a few weeks. It is equally hard to understand, not to mention modify, an existing “monster” RT code, for which the developer is either located remotely or has retired. Following the format of “Numerical Recipes” by Press et al., we collocate in this paper small pieces of necessary theory with corresponding small pieces of RT code. These are arranged in an order that is natural for code development, which is often opposite of the natural order for laying out the theoretical basis. We focus on the transfer of unpolarized monochromatic solar radiation in a plane-parallel atmosphere over a reflecting surface. Both the surface and the atmosphere are homogeneous (uniform) at all directions. The multiple scattering is numerically solved using the deterministic method of Gauss-Seidel iterations. Except for the presented Python-Numba open-source RT code gsit, the paper does not report any new scientific results, but rather serves as an academic demonstration. If development time is an issue or the reader is familiar with basic concepts of RT theory, we recommend proceeding directly to Sec.3 “RT code development.
multiple light scattering↗
Development and Validation of Physics-Based Sub-Models of High-Pressure Supercritical Fuel Injection at Diesel Conditions Insert
The project sought to develop and validate accurate, physics-based, numerical submodels and implement them in computational fluid dynamics (CFD) software codes to enable accurate predictions of diesel sprays at pressures higher than the current systems. The combined experimental-computational effort has four main objectives: (1) acquire spatially and temporally resolved scalar measurements of fuel-oxidizer mixing in the near field of the fuel jet, (2) develop software modules to calculate thermo-physical properties of diesel surrogates and their mixtures with oxidizer of interest in real-gas operating regime, (3) integrate the real-fluid model into a commercial and an open-source CFD code to simulate fuel-air mixing in high-pressure diesel sprays, and (4) assess the robustness, accuracy, and uncertainty of the integrated CFD solvers in computing diesel sprays. Project accomplishments are consistent with the original goals of the project. Although we acquired spatially and temporally resolved scalar measurements, they were limited to refractive index difference and not to thermodynamic properties such as temperature and equivalence ratio. However, we successfully developed the theoretical background needed to acquire such measurements at diesel conditions and demonstrated the capability of the RSD for scalar measurements in a canonical turbulent jet flow replicating features of the diesel jet. Additional work will be needed to implement these procedures at high-pressure, high-temperature engine-like conditions of the CPFR. Mainly, we did not anticipate the need to find the liquid boundary and its statistical features or the state relationships between refractive index and thermodynamic properties, assuming the widely known Dale-Gladstone equation would suffice. Still, efforts devoted to these tasks were essential to fulfil the goals of the project and serves as the foundation on which many of the conclusions and key contributions of this project are based. Further assessment and application of the developed CFD codes is recommended to fully realize the benefits of this research.
33 ADVANCED PROPULSION SYSTEMS↗
Cloud Property Retrieval and 3D Radiative Transfer
Cloud thickness and photon mean-free-path together determine the scale of "radiative smoothing" of cloud fluxes and radiances. This scale is observed as a change in the spatial spectrum of cloud radiances, and also as the "halo size" seen by off beam lidar such as THOR and WAIL. Such of beam lidar returns are now being used to retrieve cloud layer thickness and vertical scattering extinction profile. We illustrate with recent measurements taken at the Oklahoma ARM site, comparing these to the-dependent 3D simulations. These and other measurements sensitive to 3D transfer in clouds, coupled with Monte Carlo and other 3D transfer methods, are providing a better understanding of the dependence of radiation on cloud inhomogeneity, and to suggest new retrieval algorithms appropriate for inhomogeneous clouds. The international "Intercomparison of 3D Radiation Codes" or I3RC, program is coordinating and evaluating the variety of 3D radiative transfer methods now available, and to make them more widely available. Information is on the Web at: http://i3rc.gsfc.nasa.gov/. Input consists of selected cloud fields derived from data sources such as radar, microwave and satellite, and from models involved in the GEWEX Cloud Systems Studies. Output is selected radiative quantities that characterize the large-scale properties of the fields of radiative fluxes and heating. Several example cloud fields will be used to illustrate. I3RC is currently implementing an "open source" 3d code capable of solving the baseline cases. Maintenance of this effort is one of the goals of a new 3DRT Working Group under the International Radiation Commission. It is hoped that the 3DRT WG will include active participation by land and ocean modelers as well, such as 3D vegetation modelers participating in RAMI.
Cahalan, Robert F.↗
Evaluating wind speed and power forecasts for wind energy applications using an open-source and systematic validation framework
Building on the verification and validation work developed under the Second Wind Forecast Improvement Project, this work exhibits the value of a consistent procedure to evaluate wind power forecasts. We established an open-source Python code base tailored for wind speed and wind power forecast validation, WE-Validate. The code base can evaluate model forecasts with observations in a coherent manner. To demonstrate the systematic validation framework of WE-Validate, we designed and hosted a forecast evaluation benchmark exercise. We invited forecast providers in industry and academia to participate and submit forecasts for two case studies. We then evaluated the submissions with WE-Validate. Our findings suggest that ensemble means have reasonable skills in time series forecasting, whereas they are often inferior to single ensemble members in wind ramp forecasting. Adopting a voting scheme in ramp forecasting that allows ensemble members to detect ramps independently leads to satisfactory skill scores. Throughout this document, we also emphasize the importance of using statistically robust and resistant metrics as well as equitable skill scores in forecast evaluation.
17 WIND ENERGY↗
GJ 229B: Solving the Puzzle of the First Known T Dwarf with the APOLLO Retrieval Code
GJ 229B was the first T dwarf to be discovered in 1995, and its spectrum has been more thoroughly observed than that of most other brown dwarfs. Yet a full spectroscopic analysis of its atmosphere has not been done with modern techniques. This spectrum has several peculiar features, and recent dynamical estimates of GJ 229B’s mass and orbit have disagreed widely, both of which warrant closer investigation. With a separation of tens of astronomical units from its host star, GJ 229B falls near the border of the planet and stellar population formation regimes, so its atmosphere could provide clues to formation processes for intermediate objects of this type. In an effort to resolve these questions, we performed retrievals on published spectra of GJ 229B over a wide range of wavelengths (0.5–5.1 μm) using the open-source APOLLO code. Based on these retrievals, we present a more precise mass estimate of 41.6 ± 3.3MJ and an effective temperature estimate of 869 +5 −7 K, which are more consistent with evolutionary models for brown dwarfs and suggest an older age for the system of >1.0 Gyr. We also present retrieved molecular abundances for the atmosphere, including replicating the previously observed high CO abundance, and discuss their implications for the formation and evolution of this object. This retrieval effort will give us insight into how to study other brown dwarfs and directly imaged planets, including those observed with JWST and other next-generation telescopes.
Alex R Howe↗