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NASA NTRS2015

Integrated Vehicle and Trajectory Design of Small Spacecraft with Electric Propulsion for Earth and Interplanetary Missions

This paper investigates the feasibility of Earth-transfer and interplanetary mission architectures for miniaturized spacecraft using emerging small solar electric propulsion technologies. Emerging small SEP thrusters offer significant advantages relative to existing technologies and will enable U-class systems to perform trajectory maneuvers with significant Delta V requirements. The approach in this paper is unique because it integrates trajectory design with vehicle sizing and accounts for the system and operational constraints of small U-class missions. The modeling framework includes integrated propulsion, orbit, energy, and external environment dynamics and systems-level power, energy, mass, and volume constraints. The trajectory simulation environment models orbit boosts in Earth orbit and flyby and capture trajectories to interplanetary destinations. A family of small spacecraft mission architectures are studied, including altitude and inclination transfers in Earth orbit and trajectories that escape Earth orbit and travel to interplanetary destinations such as Mercury, Venus, and Mars. Results are presented visually to show the trade-offs between competing performance objectives such as maximizing available mass and volume for payloads and minimizing transfer time. The results demonstrate the feasibility of using small spacecraft to perform significant Earth and interplanetary orbit transfers in less than one year with reasonable U-class mass, power, volume, and mission durations.

Spangelo, Sara↗

DOE OSTI2018

Visualizing effective potentials and using the IBM-Q to study quantum field theory models in 0+1 dimensions

This work explores the utility of two novel techniques applied to studying quantum field theory, namely quantum computing and visualizing effective potentials. We studied the ground state properties of the anharmonic oscillator and the Wess-Zumino model using the variational quantum eigensolver algorithm. We performed calculations for three and four qubit systems using IBM’s open source quantum computing simulation software. Using effective potentials, we study a simple dark mat-ter system with a Higgs and dark Higgs like particle interacting through a porthole fermion.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

2025 Advances in NekRS: Supporting improved performance for nuclear applications

This report presents several 2025 advancements in NekRS, a high-fidelity spectral element CFD code developed at Argonne National Laboratory to support the NEAMS thermal-hydraulics program. The forthcoming v25 release consolidates several of these advances, adding new features for portability across heterogeneous GPU architectures, real-time in situ visualization, improved turbulence modeling, and conjugate heat transfer coupling. Over the past year, NekRS has demonstrated strong scalability and performance on DOE’s leading exascale platforms, including Aurora and Frontier, confirming its readiness for some of the largest and most complex simulations attempted to date. These achievements provide a powerful new platform for high-fidelity data generation, which in turn supports the development and validation of advanced closure models critical for reactor safety and design. Significant algorithmic innovations have also been introduced. A new global runtime h-refinement capability simplifies workflows by reducing mesh preparation burdens and enabling coarse-to-fine restarts. Building on this, a novel multigrid strategy was implemented to accelerate pressure and transport solves at scale, addressing long-standing bottlenecks in exascale CFD. Together, these developments improve both the efficiency and accessibility of high-fidelity simulations for reactor-relevant problems. Collectively, these enhancements represent a major step forward in simulation technology, positioning NekRS as a cornerstone of NEAMS efforts to enable accurate, efficient, and scalable high-fidelity analysis of advanced nuclear systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Microreactor Optimization Using Simulation And Economics (mouse)

Microreactor Optimization Using Simulation and Economics (MOUSE) is a tool that integrates both nuclear microreactor design and reactor economics to provide comprehensive evaluations and optimizations. This tool enables stakeholders to explore the interplay between technical and economic variables, guiding them towards effective and competitive microreactor solutions. For the reactor core simulations, MOUSE leverages the OpenMC Monte Carlo Particle Transport Code to perform detailed core simulations for various microreactor designs. The included OpenMC models are 2D core designs of a Liquid Metal Thermal Microreactor (LMTR), a Gas-Cooled TRISO-Fueled Microreactor (GCMR), and a Heat Pipe Microreactor. Beyond core design, MOUSE includes simplified calculations for: - Calculating the masses of heat exchangers within the system. - Mechanical power of pumps. - Estimating the area occupied by various buildings within the nuclear plant. For the economic analysis, MOUSE provides detailed bottom-up cost estimates, encompassing a wide range of costs including preconstruction costs, direct costs, indirect costs, training costs, financial costs, operation & maintenance (O&M) costs, and fuel costs. These cost estimations are developed using data from the MARVEL project and additional literature sources, enabling the calculation of total capital costs and levelized cost of energy for both first-of-a-kind and nth-of-a-kind microreactors. MOUSE also enables analysis of the cost drivers and competitiveness in the electricity market. MOUSE allows users to modify a wide array of technical and economic parameters to evaluate different scenarios and their impacts. Examples of these parameters include: Fuels, coolants, or reflector materials Enrichment levels Control drum materials and geometry Fuel pin geometry and materials Moderator pin geometry and materials Reactor core and reflector dimensions Packing factor for the TRISO particles Nuclear reactor power and reactor burnup Number of sensors Shielding thickness Reactor vessel and guard vessel dimensions Operational staff requirements Number of emergency shutdowns Levelization period Interest rate Construction duration Since MOUSE is powered by the WATTS toolkit, it supports optimization studies, parametric analyses, and uncertainty calculations/propagation. The optimization techniques enable users to identify optimal design and economic configurations. The parametric analysis tools allow users to explore the sensitivity of various parameters, while uncertainty propagation helps quantify the impact of uncertainties on overall performance and cost. User Interface and Workflow: Currently, MOUSE is a command-line-based tool. Users can input various reactor design or economic parameters, modify the designs, run simulations, and visualize results through comprehensive data visualization and reporting capabilities. The typical workflow involves setting up the reactor model, defining economic parameters, running simulations, and analyzing the results to make informed decisions. By combining advanced design calculations with detailed economic modeling, MOUSE provides a robust framework for optimizing nuclear microreactor technologies, enhancing their competitiveness, and guiding stakeholders towards innovative and cost-effective solutions.

Hanna, Botros [Idaho National Laboratory (INL), Id↗

DOE OSTI2021

Transforming Energy through Computational Science: Computing for Clean Energy

This fact sheet discusses the opportunity space for NREL's computational science capabilities to address national clean energy objectives. Achieving a carbon-free power sector by 2035 as a step towards a decarbonized U.S. energy economy in 2050 will require major advances in power generation, autonomous energy systems, transportation, and buildings/communities. Development of integrated modeling approaches for complex energy systems will be essential for deployment. Success requires developments in optimization and control theory, complemented by machine learning (ML) and artificial intelligence (AI), all of which in turn need targeted investments in breadth and scale of computing. This document defines an opportunity space where: embracing computing can link established research and development (R&D) to a decarbonization agenda; pursuing emerging approaches can accelerate the pace of technology advancement across the portfolio; and leading by example could reduce the carbon footprint of computing worldwide.

advanced computing↗

DOE OSTI2016

Advanced Capability of Monte Carlo Transport and Depletion Calculation Program SuperMC for Fusion and Fission Applications

Since the advantages of high simulation accuracy and flexible geometry representation, the Monte Carlo methods have been broadly adopted in nuclear design and analysis of nuclear energy systems. However, great challenges exist for the current Monte Carlo methods including the calculation modeling of complex geometries, slow convergence of complex calculation, etc. Super Monte Carlo Simulation Program for Nuclear and Radiation Process (SuperMC), developed by FDS team, is a general purpose, intelligent and multi-functional program for the design and safety evaluation of nuclear systems, which is designed to perform the comprehensive neutronics calculation. The latest version of SuperMC can accomplish the transport calculation of n,{gamma} for criticality and shielding problems, depletion calculation of isotopes, and has been integrated with the functions of automatic modeling, visualization and cloud computing. The latest progress will be introduced in this paper. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Elevating SolTrace's Capabilities for the Next Generation of Concentrating Solar Analysis

SolTrace is an open-source Monte Carlo ray tracing software developed at NREL. SolTrace can characterize concentrating solar thermal (CST) collector optical performance and is CST technology agnostic. Shown in Fig. 1, SolTrace is a foundational tool in NREL's CST system and component modeling suite. SolTrace's generic surface elements can flexibly model novel collector and receiver designs to predict spatial and temporal flux distributions - critical to understand for CST component design, performance prediction, and system integration. Since its initial development, SolTrace has over 1,650 references on Google Scholar, over 9,800 downloads since 2017, and has served the CST research and development community as a benchmark of 3rd party verification. SolTrace provides users with many options for defining surface shape and boundaries. However, SolTrace provides limited documentation which can result in a steep learning curve for new users. Additionally, SolTrace lacks the computational performance required to evaluate optical performance of a CST system over the course of a year and/or iteratively over design parameters in a timely manner. To address this, we are working towards a new release of SolTrace that enables increased computational throughput by implementing ray tracing acceleration structures and enabling GPU parallelization. Additionally, we are working to improve SolTrace's usability, accessibility, and maintainability by (1) automating solar position time-dependent simulation processes, (2) creating general CST collector templates of grouped elements, (3) updating the user interface to better visualize model inputs and outputs, and (4) creating a user support network through forums, "how to" videos, and documentation.

14 SOLAR ENERGY↗

DOE OSTI2026

Model Data Archive for Manuscript Titled "Evaluation of a Coupled Surface–Subsurface Hydrologic Model Using Dense Water‑Level Sensors in a Mixed Urban–Rural Watershed"

This archive provides scripts, input files, and datasets used for the implementation and evaluation of a fully coupled surface–subsurface hydrologic model in the Neches River Basin, southeast Texas. The study uses the Advanced Terrestrial Simulator (ATS) to simulate coupled surface–subsurface hydrologic processes over a mixed urban–rural watershed and evaluates model performance using a dense network of 136 in situ water-level sensors, nine U.S. Geological Survey (USGS) stream gauges, and SSEBop-derived evapotranspiration estimates during the period October 2014–June 2024. The workflow is implemented primarily in Python 3 using the Watershed Workflow package. The Jupyter notebooks can be executed using open-source software such as Anaconda JupyterLab or Visual Studio Code. Other data files include TXT, CSV, XML, SHP, TIF, NetCDF, HDF5, and ExodusII files, which can be processed using the provided Python scripts. ATS input files are provided in XML format and can be edited using any commonly used text editor. This archive contains: *Scripts and input files used to generate the ATS model setup, including watershed discretization, mesh generation, parameter mapping, and model configuration. *Jupyter notebooks used for preprocessing observational data, evaluating streamflow, water levels, and evapotranspiration, computing performance metrics, and generating the figures presented in the manuscript. *ATS simulation outputs and processed observational datasets, including OneRain and DD6 water-level sensors, USGS streamflow observations, GIS data, and supporting spatial datasets used throughout the study.

Dense water-level sensor network↗

NASA NTRS1996

A Parametric Study of a Plug Nozzle, Using the Liquid Propellant Program (LPP) Code

The Liquid Propellant Program (LPP) computer code is a super-set of the industry standard Two Dimensional Kinetics (TDK) computer code. The TDK code uses a two dimensional method of characteristics solution with fully coupled finite rate kinetics for axially symmetric nozzles. The chemical reactions are modeled with a generalized reaction package that include three dimensional body efficiencies and four reaction rate forms. The code performs optional solutions for frozen or equilibrium flow. TDK evaluates discrete shocks, both attached or induced. The Transonic module models variable mixture ratio profiles from the combustion chamber injector. The Mass Addition Boundary Layer module (MABL) calculates the boundary parameters with the same chemistry options, and includes transpiration or tangential slot injection of gas at the wall. The LPP upgrades include: planar nozzle, scarfed nozzles, plug nozzles, and scramjet nozzle configurations. The code evaluates both upper and lower wall flow simulation, and includes the interaction with the external flow. The MABL module evaluates equilibrium radiation heat transfer for both upper and lower walls. In addition, LPP code models combustion effects due to injector inefficiencies with the Spray Combustion Analysis Program (SCAP) module. The LPP package provides extensive post plotting capabilities for flow visualization. The LPP is sufficiently fast and robust to provide performance predictions for extensive parametric studies and sufficiently accurate to provide flow field and performance solutions for detailed studies.

Dunn, Stuart S.↗

NASA NTRS1981

Pilot/vehicle model analysis of visual and motion cue requirements in flight simulation

The optimal control model for pilot/vehicle analysis is used to explore the effects of a CGI visual system and motion system dynamics on helicopter hover simulation fidelity. This is accomplished by expanding the perceptual aspects of the model to include motion sensing and by relating CGI parameters to information processing parameters of the model. Simulator fidelity is examined by comparing predicted performance and workload for flight with that predicted for various simulator configuration. The results of the analysis suggest that simulator deficiencies or a reasonable nature (by current standards) can result in substantial performance and/or workload infidelity. Both CGI and motion system effects are significant for this task. There is also a distinct interaction between the two sources of pilot cues. In particular, the presence of motion reduces the sensitivity to CGI limitations.

Lancraft, R.↗

DOE OSTI2018

ADMS Evaluation Platform

Deploying an ADMS or looking to optimize its value? NREL offers a low-cost, low-risk evaluation platform for assessing ADMS performance. The National Renewable Energy Laboratory (NREL) has developed a vendor-neutral advanced distribution management system (ADMS) evaluation platform and is expanding its capabilities. The platform uses actual grid-scale hardware, large-scale distribution system models, and advanced visualization to simulate realworld conditions for the most accurate ADMS evaluation and experimentation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2015

Using High Performance Computing to Support Water Resource Planning

In recent years, decision support modeling has embraced deliberation-withanalysis— an iterative process in which decisionmakers come together with experts to evaluate a complex problem and alternative solutions in a scientifically rigorous and transparent manner. Simulation modeling supports decisionmaking throughout this process; visualizations enable decisionmakers to assess how proposed strategies stand up over time in uncertain conditions. But running these simulation models over standard computers can be slow. This, in turn, can slow the entire decisionmaking process, interrupting valuable interaction between decisionmakers and analytics.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

TH-A-18C-01: Design Optimization of Segmented Scintillators for Megavoltage Cone- Beam CT

Purpose: Active matrix flat-panel imagers incorporating thick, segmented scintillators for megavoltage cone-beam CT (MV CBCT) imaging have demonstrated strong potential for facilitating soft-tissue visualization at low, clinically practical doses. In order to identify scintillator design parameters that optimize performance for this purpose, a modeling technique which includes both radiation and optical effects and which lends itself to computationally practical implementation has been developed and explored. Methods: A hybrid modeling technique, based on Monte Carlo event-by-event simulation of radiation transport and separate determination of optical effects, was devised as an alternative to computationally prohibitive event-by- event simulations of both radiation and optical transport. The technique was validated against empirical results from a previously reported 1.13 cm thick, 1.016 mm element-to-element pitch BGO scintillator prototype. Using this technique, the contrast-to-noise ratio (CNR) and spatial resolution performance of numerous scintillator designs, with thicknesses ranging from 0.5 to 6 cm and pitches ranging from 0.508 to 1.524 mm, were examined. Results: CNR and spatial resolution performance for the various scintillator designs demonstrate complex behavior as scintillator thickness and pitch are varied - exhibiting a clear trade-off between these two imaging metrics up to a thickness of ~3 cm. Based on these results, an optimization map highlighting those regions of design that provide a balance between these metrics was created. The map indicates that, for a given set of optical parameters, scintillator thickness and pitch can be judiciously chosen to maximize performance without resorting to thicker, more costly scintillators. Conclusion: Modeling radiation and optical effects in thick, segmented scintillators through use of a hybrid modeling technique provides a practical way to gain insight as to how to optimize the performance of such devices for radiotherapy imaging. Assisted by such modeling, the development of practical designs should greatly facilitate low-dose, soft tissue visualization through MV CBCT imaging. This project was supported in part by NIH grant R01 CA051397.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRSDate not supplied

Developing New Tools for Modeling Rocket Plume-Surface Interactions

With NASA’s goal to land the next human on the lunar surface in the next few years, it has become vitally important that we have a better understanding of how future landing spacecraft will interact with the unique properties of regolith¬¬––the layer of loose, unconsolidated dust and rock on the lunar surface¬¬––which can cause hazards like visual obstructions, particulate clouds, and cratering of the landing zone. Researchers from the Fluid Dynamics Branch at NASA’s Marshall Space Flight Center are performing plume-surface interaction (PSI) simulations between lander engine plumes and unprepared regolith surfaces, and have developed new tools to provide predictive PSI environments for various NASA projects and missions, including the Human Lander System (HLS), Commercial Lunar Payload Services (CLPS), and future Mars landers. These tools allow the researchers to determine how to best meet the simulation and time requirements for each project by varying model fidelity. The highest fidelity tool is the Gas Granular Flow Solver (Loci/GGFS) that models gas-particle multi-phase interactions to predict regolith cratering and ejection of particles into the immediate surroundings of the lander. At its highest fidelity, it can model microscopic regolith particle interactions with a particle size/shape distribution that statistically replicates actual regolith, however, to be most effective with today’s computing resources, it is currently run using only one to three equivalent particle sizes/shapes. The team also incorporated engineering models into their software suite to create production-ready hybrid tools with reduced fidelity. At the lowest fidelity, the computational fluid dynamics (CFD) code Loci/CHEM+DIGGEM can predict crater depth over time by relating local CFD-predicted surface shear stresses to a model of erosion mass flux.

plume surface interaction↗

NASA NTRS1997

Visual Computing Environment

The Visual Computing Environment (VCE) is a NASA Lewis Research Center project to develop a framework for intercomponent and multidisciplinary computational simulations. Many current engineering analysis codes simulate various aspects of aircraft engine operation. For example, existing computational fluid dynamics (CFD) codes can model the airflow through individual engine components such as the inlet, compressor, combustor, turbine, or nozzle. Currently, these codes are run in isolation, making intercomponent and complete system simulations very difficult to perform. In addition, management and utilization of these engineering codes for coupled component simulations is a complex, laborious task, requiring substantial experience and effort. To facilitate multicomponent aircraft engine analysis, the CFD Research Corporation (CFDRC) is developing the VCE system. This system, which is part of NASA's Numerical Propulsion Simulation System (NPSS) program, can couple various engineering disciplines, such as CFD, structural analysis, and thermal analysis. The objectives of VCE are to (1) develop a visual computing environment for controlling the execution of individual simulation codes that are running in parallel and are distributed on heterogeneous host machines in a networked environment, (2) develop numerical coupling algorithms for interchanging boundary conditions between codes with arbitrary grid matching and different levels of dimensionality, (3) provide a graphical interface for simulation setup and control, and (4) provide tools for online visualization and plotting. VCE was designed to provide a distributed, object-oriented environment. Mechanisms are provided for creating and manipulating objects, such as grids, boundary conditions, and solution data. This environment includes parallel virtual machine (PVM) for distributed processing. Users can interactively select and couple any set of codes that have been modified to run in a parallel distributed fashion on a cluster of heterogeneous workstations. A scripting facility allows users to dictate the sequence of events that make up the particular simulation.

Lawrence, Charles↗

DOE OSTI2025

Streaming Data in HPC Workflows Using ADIOS

The “IO Wall” problem, in which the gap between computation rate and data access rate grows continuously, poses significant problems to scientific workflows which have traditionally relied upon using the filesystem for intermediate storage between workflow stages. One way to avoid this problem in scientific workflows is to stream data directly from producers to consumers and avoiding storage entirely. However, the manner in which this is accomplished is key to both performance and usability. This paper presents the Sustainable Staging Transport, an approach which allows direct streaming between traditional file writers and readers with few application changes. SST is an ADIOS “engine”, accessible via standard ADIOS APIs, and because ADIOS allows engines to be chosen at run-time, many existing file-oriented ADIOS workflows can utilize SST for direct application-to-application communication without any source code changes. This paper describes the design of SST and presents performance results from various applications that use SST, for feeding model training with simulation data with substantially higher bandwidth than the theoretical limits of Frontier’s file system, for strong coupling of separately developed applications for multiphysics multiscale simulation, or for in situ analysis and visualization of data to complete all data processing shortly after the simulation finishes.

Podhorszki, Norbert [ORNL] (ORCID:000000019647542X↗

DOE OSTI2016

SU-G-IeP4-09: Method of Human Eye Aberration Measurement Using Plenoptic Camera Over Large Field of View

Purpose: The measurement based on Shack-Hartmann wave-front sensor(WFS), obtaining both the high and low order wave-front aberrations simultaneously and accurately, has been applied in the detection of human eyes aberration in recent years. However, Its application is limited by the small field of view (FOV), slight eye movement leads the optical bacon image exceeds the lenslet array which result in uncertain detection error. To overcome difficulties of precise eye location, the capacity of detecting eye wave-front aberration over FOV much larger than simply a single conjugate Hartmann WFS accurately and simultaneously is demanded. Methods: Plenoptic camera’s lenslet array subdivides the aperture light-field in spatial frequency domain, capture the 4-D light-field information. Data recorded by plenoptic cameras can be used to extract the wave-front phases associated to the eyes aberration. The corresponding theoretical model and simulation system is built up in this article to discuss wave-front measurement performance when utilizing plenoptic camera as wave-front sensor. Results: The simulation results indicate that the plenoptic wave-front method can obtain both the high and low order eyes wave-front aberration with the same accuracy as conventional system in single visual angle detectionand over FOV much larger than simply a single conjugate Hartmann systems. Meanwhile, simulation results show that detection of eye aberrations wave-front in different visual angle can be achieved effectively and simultaneously by plenoptic method, by both point and extended optical beacon from the eye. Conclusion: Plenoptic wave-front method possesses the feasibility in eye aberrations wave-front detection. With larger FOV, the method can effectively reduce the detection error brought by imprecise eye location and simplify the eye aberrations wave-front detection system comparing with which based on Shack-Hartmann WFS. Unique advantage of the plenoptic method lies in obtaining wave-front in different visual angle simultaneously, which provides an approach in building up 3-D model of eye refractor tomographically. Funded by the key Laboratory of High Power Laser and Physics, CAS Research Project of National University of Defense Technology No. JC13-07-01; National Natural Science Foundation of China No. 61205144.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Direct numerical simulation of supercritical oxy-methane mixing layers with CO 2 substituted counterparts

Direct numerical simulations (DNS) of temporally developing, three dimensional, CH 4 /CO 2 , CH 4 /O 2 and CO 2 /O 2 mixing layers, are conducted at a supercritical pressure of 300 atm. To effectively model the supercritical regime, the employed formulation includes the compressible form of the governing equations, the cubic Peng-Robinson equation of state and a generalized formulation for heat and mass flux vectors derived from non-equilibrium thermodynamics and fluctuation theory. A linear inviscid stability analysis is also performed for each case, to determine its most unstable wavelength. Flow visualizations reveal the presence of high density gradient magnitude regions for all three mixing layers, with conditional averages indicating increased presence of heavier fluid species within these regions. No significant departures are observed from perfect gas behavior, with compressibility factors very close to unity for all three mixing cases. Applicability of presumed probability density function methods (PDF) is examined for the three supercritical mixing layers. An a priori analysis is also conducted to investigate various simplifying assumptions employed in modeling various subgrid scale (SGS) flux models. Two additional terms are identified in the large eddy simulations (LES) equations, the gradient of SGS contribution of pressure in the momentum equation and the gradient of SGS contribution of heat flux in energy equation, whose magnitudes are similar and comparable with their respective resolved terms. The performance of the scale similarity model to represent these additional terms is investigated. Lastly, the performance of Smagorinsky, gradient and scale similarity models are also investigated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗