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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Simulation and Analysis of Opportunistic MSPA for Multiple Cubesat Deployments

We describe a software approach for simultaneous demodulation and decoding of multiple frequency- multiplexed spacecraft across multiple ground stations. The approach involves the use of a single ground antenna with wide enough aperture to receive multiple angularly adjacent spacecraft simultaneously. This technique uses a wide-band RF signal digitizer coupled with easily and cheaply duplicated software-receiver modules to independently process the frequency-channelized downlink signals from the spacecraft. This approach relaxes the need for realizable modems at each antenna, for example in the Deep-SpaceNetwork (DSN), and can also function as a delayed data retrieval method for cubesat missions with routine science data return. Thus, we hope that this solution can enable more efficient utilization of DSN assets. We concentrate on a simulation similar to the proposed Exploration Mission 1 (EM-1) mission from a geometric perspective. To that end, the simulated scenario involves ten secondary cubesats deployed and tracked for a span of four days (the modeled motion over the first four days of the mission does not include any Trajectory Correction Maneuvers (TCMs) that may be necessary as the cubesats approach the moon). Transmissions from the cubesats may be received through a combination of DSN ground sites based on visibility. The cubesats are assumed to utilize typical cubesat transmit powers and a waveform similar to that of the Iris radio. One cubesat is chosen as the “target” and is considered tracked by all ground-stations throughout the simulation (i.e., it is consistently at the center of the main lobe of each ground station antenna when the ground station is in view of the cubesat in terms of elevation angle). The simulation effort involves synthesizing a wideband signal that includes the ten cubesats across a large bandwidth due to each cubesat having its own center-frequency in X-band, near 8.4 GHz. Each signal is characterized by its own Doppler-frequency shift and free-space path-loss computed through the underlying geometry of the simulation as well as the cubesat transmit power. Finally, each cubesat signal experiences a unique antenna gain at each ground station due to the underlying antenna pattern and spacecraft-ground station geometry. We establish two interesting findings: First, the link-budget for the EM-1-like scenario is almost completely limited by the angle between the center of the antenna main beam and the cubesat, which means that the signal-to-noise ratio is wholly adequate for demodulation and decoding at the simulated bitrates unless the cubesat exits the main beam. Secondly, and fortunately due to the use of a software radio architecture, we show that it is possible to successfully receive signals from most cubesats for the entire 4-day simulation. Due to the signal-to-noise ratio being sufficient for demodulation even after the side-lobe’s 17dB reduction in SNR, the software radio can still demodulate such cubesats as long as the radio is capable of re-establishing carrier lock as the cubesats leave the main beam and enter the side-lobe. Considering that the target application utilizes offline processing, a loss of lock can be detected and lock can be re-established by iterating over the data. Extensive simulations demonstrate these results.

Abraham, Douglas S.↗
NASA NTRS2020

Multibody Simulation of REMORA CubeSat Docking to and Pushing a Spent Rocket Booster

This paper details the multibody simulation of three phases of critical importance to the feasibility of the REMORA CubeSat space debris mitigation concept: the final approach of the CubeSat to a spent rocket booster; the grappling of the spent rocket booster using a robotic arm; and the pushing of the spent rocket booster to divert its course from another on-orbit asset. The extension of a robotic mobility and manipulation modeling toolkit (M3TK) from multibody dynamics simulation of manipulators and ground vehicles to simulation of orbital robotics is outlined. This includes the identification of the appropriate parameters required to concisely and generically describe thruster loads, thruster mixing, spacecraft control, and spacecraft navigation for the purpose of on-orbit robotics simulation. A high-level spacecraft navigator commands maneuvers to target spacecraft states. A PID spacecraft controller takes the target states and calculates desired forces and torques. A thruster mixer solves a quadratic program to determine the optimal thruster firing times for the propulsion system. Pulse width modulated actuation of eight canted cold gas thrusters is used in the simulated approach to a rocket nozzle from a distance of 200 m. A five degree of freedom robotic arm is controlled to position a pair of pincers to grasp the rocket nozzle. Contact dynamics are used to accurately simulate the grasping of the rocket nozzle by the pincers. A similar, but separate simulation is performed to assess the ability of the REMORA CubeSat to push the large spent rocket booster. This diversion maneuver makes use of an additional, larger thruster, and pushes the rocket booster in excess of 400 m. Appropriate motor control gains on the robotic arm are found to be higher during the pushing phase than those which are appropriate during free motion; this increase promotes rigidity of the arm and allows it to properly direct the pushing force. Challenges encountered in time step selection for numerical stability of the simulation are also discussed.

Mukherjee, Rudranarayan↗
NASA NTRSDate not supplied

Overview of the Predictive Simulation Capability Element of the Plume Surface Interaction Project

As part of the Game Changing Development (GCD) Program, funded by NASA’s Space Technology Mission Directorate (STMD), the development of simulation capability for the prediction of extra-terrestrial Plume Surface Interaction (PSI) environments has been undertaken by the Fluid Dynamics Branch at NASA/MSFC. The GCD PSI Project, planned to be completed over a four year period, contains a Predictive Simulation Capability (PSC) Element focused on creating simulation capability for the reliable and accurate prediction of PSI in Martian (~650 Pa) and Lunar (vacuum) ambient environments. In addition to the PSC Element, the GCD Program also contains a companion Ground Testing Element for development of focused datasets for validation of predictive capability as well as a Flight-focused Instrumentation Element. This paper describes the PSC Element of the PSI Project as well as providing descriptions of recent accomplishments and remaining work. The overall structure of the PSC Element is broken down into four areas of focus. The first area is the Prediction of Plume Flow in low pressure environments. The development approach taken is the augmentation of the existing production-mode computational fluid dynamics (CFD) tool Loci/Chem, with targeted extensions necessary to accurately model rarefied conditions found in both Martian and Lunar applications. Production readiness and validation of predictive capability are the major objectives of this task. The second area is the effect of mixed continuum/rarefied flow on crater development and ejecta sheets. A new CFD application, Loci/GGFS (Gas Granular Flow Solver), is being developed which implements an Eulerian/Eulerian two-phase model of gas- and soil-phases in order to simulate the soil erosion, crater formation, and soil ejecta transport in a fully coupled simulation. This task seeks to verify Loci/GGFS is production-ready as well as perform validation studies to determine the degree of predictive capability achieved by Loci/GGFS. The third area is focused on the details and extension of particle phase modeling of soil. In this task, Discrete Element Modeling (DEM) techniques are used to perform direct simulations of complex soil particles under the action of forcing similar to that to be cause by PSI. The simulation results are then used to construct closures to the Eulerian model of the soil phase used by Loci/GGFS. The fourth area is gas-particle interaction modeling. In this task, experiments are being conducted as well as detailed simulation results are being studied to further understand the complexities of gas-particle interactions in dilute, intermediate, and high soil volume fraction regimes. Improved models of particle drag and the particle turbulent kinetic energy (PTKE) resulting from the interaction of gas flows within particle clouds are the objective of this task.

Jeff West↗
NASA NTRS2021

IQ Collaboratory. II. The Quiescent Fraction of Isolated, Low-mass Galaxies across Simulations and Observations

We compare three major large-scale hydrodynamical galaxy simulations (EAGLE, Illustris-TNG, and SIMBA) by forward modeling simulated galaxies into observational space and computing the fraction of isolated and quiescent low-mass galaxies as a function of stellar mass. Using SDSS as our observational template, we create mock surveys and synthetic spectroscopic and photometric observations of each simulation, adding realistic noise and observational limits. All three simulations show a decrease in the number of quiescent, isolated galaxies in the mass range M * = 10 9−10 M ꙩ , in broad agreement with observations. However, even after accounting for observational and selection biases, none of the simulations reproduce the observed absence of quiescent field galaxies below M * = 10 9 M ꙩ . We find that the low-mass quiescent populations selected via synthetic observations have consistent quenching timescales, despite an apparent variation in the late-time star formation histories. The effect of increased numerical resolution is not uniform across simulations and cannot fully mitigate the differences between the simulations and the observations. The framework presented here demonstrates a path toward more robust and accurate comparisons between theoretical simulations and galaxy survey observations, while the quenching threshold serves as a sensitive probe of feedback implementations.

Claire M. Dickey↗
NASA NTRS2020

A ROS-based Simulator for Testing the Enhanced Autonomous Navigation of the Mars 2020 Rover

In order to achieve the ambitious objectives of the Mars 2020 (M2020) mission, in particular the ability to autonomously traverse more challenging terrains more efficiently, new surface mobility software was developed for Enhanced Navigation (ENav). That decision was made early in the project, before most of the new surface flight software (FSW) existed, which created a need for a separate framework where the new navigation algorithms could be quickly prototyped and tested, before more realistic FSW-based testbeds became available. The JPL robotics team chose the Robot Operating System [1] (ROS) as the environment in which to test the new ENav algorithms. This made it possible to write the algorithms in the C language required by the FSW, so they could be directly ported over to the flight module later on, while leveraging all the C++ libraries and tools provided by ROS for simulation and testing. The ENav algorithms were developed as a separate C library, and stubs were used to replace any FSW-specific code, such as Event Reporting (EVRs) and data products (DPs). A ROS simulator was developed to generate a rich set of varied 3D terrains representative of the candidate Mars landing sites and simulate the physics of the rover motion, the point cloud perceived by the rover’s stereo vision system, and the new thinking-while-driving (TWD) navigation logic which directs the rover to drive autonomously to user-specified waypoints. To simulate the rover motion and perception, a ROS node was developed that uses a software library called HyperDrive Sim (HDSim), which is a wrapper for the Rover Sequencing and Visualization Program [2] (RSVP). That library provides roverterrain settling, realistic slip modelling, and camera rendering capability based on the rover’s NavCam machine vision models. To simulate the navigation logic, a ROS node was created that initializes and runs the ENav algorithms in a way that mimics the FSW execution, while also providing the capability to load and replay data products, including re-running the recorded inputs through the ENav algorithms for testing. An engineering Graphical User Interface (GUI) was also developed to visualize various elements, such as the rover pose during the drive, the simulated and perceived terrain, the selected local and global paths to the goal, the evaluated candidate paths and the reasons why they were rejected, the keep-in and keep-out zones (KIOZs), etc. Finally, an advanced Monte Carlo (MC) framework that can run many simulations in parallel on the Cloud and automatically generate reports that capture the key ENav performance metrics was developed to evaluate the system in a statisticallymeaningful way. This paper provides an overview of the ROSbased simulator used for testing the M2020 ENav algorithms.

Toupet, Olivier↗
NASA NTRS2022

National Campaign (NC)-1 Strategic Conflict Management Simulation (X4) Community Based Rules

Projected demand for transportation services in the urban environment has led to the development of several Concepts of Operation for Urban Air Mobility, or UAM. UAM is a concept for the transportation of people and goods in the metropolitan environment using small, efficient aircraft over short distances as part of an expanding multimodal transportation network. UAM will leverage emerging technologies including electric Vertical Takeoff and Landing (eVTOL) aircraft, increasing levels of automation and a new operational paradigm in dense airspace where a set of agreed-upon rules govern the procedures and interactions defining a cooperative environment in which operators are entrusted with a range of functions typically conducted by Air Traffic Control (ATC). These rules, proposed in the FAA NextGen Office’s UAM Concept of Operations [1], were originally termed Community Based Rules or Community Business Rules (CBRs), and will in the future termed Cooperative Operating Practices (COPs); this document uses the original term, CBR. CBRs are a set of rules, developed by the UAM community and (where necessary) approved by the FAA that govern the interactions between UAM entities and limit the need for ATC services including, but not limited to, separation control by ATC, addressing a fundamental challenge to scaling UAM operations. UAM community development of CBRs is anticipated to accelerate the adoption of new practices while retaining the regulatory authority of the FAA within required domains (e.g., NAS safety, security and equal access). However, there currently exists no agreed industry forum or defined procedures for CBR development. Investigation of best practices for the development of UAM CBRs was identified by NASA and the FAA NextGen Office as a research need. In collaboration with seven industry partners, NASA participated in a series of simulations that investigated elements of the envisioned UAM operations, with a primary focus on Strategic Conflict Management (SCM). The development and conduct of cooperative UAM simulations with seven industry partners provided a unique opportunity to investigate CBR development practices. Development of CBRs for the UAM SCM simulations was conducted in parallel with simulation capability development and was closely related to requirements definition for the simulations. As such, the CBR development effort presented herein had two objectives: explore CBR development practices in collaboration with the industry partners and develop an initial set of UAM CBRs to support simulation requirements definition and development. Consensus was achieved among NASA and the industry partners on 24 CBRs that were developed to support the cooperative simulation operations across five topic areas: General (related to test requirements), Operational Intent, Conformance Monitoring, Demand Capacity Balancing, and Airspace Constraint Management. Additional topic areas and CBRs were discussed but were deemed outside the scope of the simulation; these are included in the appendices. A collaborative, iterative process was employed for developing the CBRs engaging both NASA and Industry; because CBR development is envisioned to be community-driven, opportunities were sought that provided industry partners leadership roles in developing CBRs. The following key observations and recommendations may aid the UAM industry in future CBR development efforts: - The lack of a defined process proved challenging initially. Stakeholder engagement in the early stages of CBR development was intermittent and may have been due to the lack of a clear definition of roles and responsibilities of those involved in the effort. - Industry leadership of CBR topic areas proved successful. Discussions in these topic areas were engaging, with alternate viewpoints freely discussed and detailed CBRs resulting. This points to the importance of identifying the best-suited leadership in technical areas for CBR development. - Discussions within a CBR topic area were typically dominated by only a few participants. Whereas all industry partners contributed to CBR development, within each topic area, technical leadership was evident even when not formally established. This observation may indicate that smaller, focused groups may be more effective in initial CBR development than an open forum or large standards development effort (although both maybe required prior to FAA review and approval for some CBRs). - Identifying suitable forums for initial UAM CBR development and identifying the most effective industry participants and leadership will be crucial for successful CBR development. Although the operational need for UAM CBRs may not be immediate, establishing the forums and leadership to define the processes for CBR development is a prudent early step to UAM realization.

Community Based Rules↗
NASA NTRS2022

Influence of Vegetation on Simulation of the Water Balance and Hydrological Response to El Niño–Southern Oscillation in Western Tropical South America

Land surface models (LSMs) rely on vegetation parameters for use in hydrological and energy balance analysis, monitoring, and forecasting. This study examines the influence that vegetation representation in the Noah-Multiparameterization (Noah-MP) LSM has on hydrological simulations across the diverse climate zones of western tropical South America (WTSA), with specific consideration of hydrological variability associated with El Niño–Southern Oscillation (ENSO). The influence of model representation of vegetation on simulated hydrology is evaluated through three simulation experiments that use 1) satellite-derived constant MODIS; 2) satellite-derived time-varying MODIS; and 3) the Noah-MP dynamic leaf model. We find substantial differences in vegetation fields between these simulations, with the Noah-MP dynamic leaf model diverging significantly from satellite-derived vegetation fields in many ecoregions. Impacts on simulated hydrology were, however, found to be modest across climate zones, except for select extreme events. Also, although impacts on hydrology under ENSO-induced variability were small, we find that the Noah-MP dynamic leaf model simulates a positive relationship between rainfall and vegetation in humid ecoregions of WTSA, where satellite observations may indicate the opposite. The relatively small sensitivity of simulated hydrology to vegetation scheme suggests that the performance of hydrological monitoring and forecasting in WTSA that uses Noah-MP is largely unaffected by the choice of vegetation scheme, such that using a simple climatological default is generally no worse than adopting more complicated options. The presence of some differences between the time-varying and constant MODIS simulations for hydrologic extremes, however, indicates that time-varying MODIS configuration might be more suitable for hydrological hazards applications.

South America↗
NASA NTRSDate not supplied

Validation of Fitness for Duty Standards Using Pre- and Post-Flight Capsule Egress and Suited Functional Performance Tasks in Simulated Reduced Gravity

The transition between gravity environments will involve one of the most complex, high-risk phases of exploration missions. The reduced functional capacity caused by physiological deconditioning adaptations in microgravity coupled with the stressors of re-entry into partial gravity environments will increase risks to crew, even with rigorous adherence to inflight countermeasures. Specifically, two high-risk scenarios may be required to be performed soon after gravity transitions: 1) nominal and/or emergency unassisted capsule egress task after return to Earth, and 2) planetary extravehicular activity (EVA) soon after landing on Mars or the Moon. Quantification of crewmember’s functional performance after long-duration spaceflight is necessary to inform concepts of operations for future exploration missions. The overarching aim of this study is to quantify post-landing functional performance with deconditioning after long-duration ISS missions. This study is broken down into two phases. Phase 1 includes a pilot study to assess the overall feasibility and demonstrate the capability to perform mission-like tasks shortly after landing. Phase 2, the Egress Fitness study, which is part of the Complement of Integrated Protocols for Human Exploration Research (CIPHER), uses a task-based approach to characterize functional performance in long-duration ISS crewmembers before flight and shortly after return to Earth. The pilot and full Egress Fitness study includes pre-flight and post-flight testing of simulated emergency egress out of a functional capsule mockup and a Mars gravity EVA simulation at the Active Response Gravity Offload System (ARGOS) facility. The EVA simulation tasks include suit donning, hatch egress, ladder descent, task board cable operations, baggage transfer over sand/rocky regolith, alignment with a rear entry port, and suit egress. The post-flight simulated capsule egress test occurs 1–4 h after landing and the planetary EVA simulation occurs 18–36 h after landing. The full CIPHER Egress Fitness study has additional pre-flight sessions, longer EVA tasks that include traverse and geology sampling, and post-flight sessions on R+1, 4, and 8 to characterize the timeframe of recovery. The Pilot Egress Fitness study has completed baseline and post-flight testing on four crewmembers. All subjects were able to complete the post-flight simulated planetary EVA; three subjects were able to complete the postflight capsule egress simulation. CIPHER study data collection is ongoing. This study will quantify post-landing functional performance in operationally relevant simulations to help inform future planetary concepts of operations shortly after landing.

egress↗
NASA NTRSDate not supplied

Cardiovascular Responses to Simulated Spaceflight: Molecular Signatures and Surrogate Outputs to Measure CVD Risk

During extended space missions beyond low Earth orbit, astronauts will encounter prolonged periods of weightlessness and low dose space radiation. Previous studies have shown that exposure to small doses of high LET radiation (< 50 cGy) can lead to both short-term and long-term alterations in heart function, structure and underlying molecular mechanisms. In this study, we aim to identify the molecular signature associated with the cardiovascular response to simulated galactic cosmic radiation (5-ion GCR) alone or in combination with simulated weightlessness at time intervals relevant to mission length and recovery. Additionally, we aim to determine whether sex impacts cardiovascular responses to these spaceflight factors. Our overarching goal is to enhance our understanding of the cardiovascular risks associated with extended space missions and the clinical endpoints they suggest. We hypothesize that exposure to simulated space radiation leads to enduring alterations in the transcriptome, redox signaling and cytokine environment of cardiovascular tissue, some which have known links with reduced cardiovascular performance, aging, and increased risk of cardiovascular disease (CVD). Furthermore, we posit that simulated space radiation exposure in combination with simulated microgravity exacerbates cardiovascular deficits compared to single factor exposure. Female and male C57BL/6J mice, aged 23-24 weeks, were exposed to a single dose of 5, 15, or 50 cGy of 5-ion GCR, or sham-treated (0 cGy). Euthanasia was performed at 14 days and ~4 months post-irradiation. Hearts, aorta and blood plasma were collected shortly thereafter. RNA-sequencing of left ventricles at ~4 months post-GCR exposure revealed sex differences in the heart transcriptome with a few genes showing radiation-dependent changes in expression levels. Notably, some of the differentially expressed genes in 15 and 50 cGy GCR groups are known to play roles in the development of CVD. Analysis of protein levels of a subset of inflammatory cytokines in the heart indicated sex differences but no differences between sham and 50 cGy groups. Results also showed correlations among differentially expressed genes and a subset of inflammatory cytokines, with some correlations altered by GCR exposure. These findings suggest that GCR exposure can modify protein and gene networks linked to inflammation and CVD progression. In the aorta, telomere lengths were comparable across treatment groups sexes. Mitochondrial copy number is a biomarker for mitochondrial function with decreased copy numbers associated with cardiometabolic disease traits. Mitochondrial copy numbers of aorta also showed no sex nor dose differences. In a second study, mice underwent one week of simulated microgravity by hindlimb unloading (HU) and then exposed to a single dose of 15 cGy of 5-ion GCR. HU was conducted for an additional two weeks following GCR exposure. Single factor exposure groups (HU or GCR only) also were included in the study. Euthanasia was then performed and the same tissues were collected. Protein levels of select inflammatory cytokines in the heart showed sex-dependent differences in expression. In the aorta, telomere lengths and mitochondrial copy number also showed sex differences. In summary, our results indicate differences between sexes in biomarkers related to cardiovascular health. Exposure to 5-ion GCR or HU, alone or in combination, did not result in changes in most of the cardiovascular biomarkers that were examined. However, in the heart, simulated space radiation at doses of 15 and 50 cGy led to long-term alterations in the expression levels of a small group of genes known to be associated with the progression of CVD. The long-term transcriptomic changes resulting from exposure to simulated space radiation should be carefully investigated to mitigate adverse cardiovascular events during and after deep space missions. Our results also highlight the importance of sex-specific strategies in monitoring and maintaining cardiovascular health during and after deep space missions.

cardiovascular↗
NASA NTRS2024

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

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

Agricultural Model Intercomparison and Improvement↗
DOE OSTI2024

Buffer-IPyC separation process in TRISO fuel particles simulated with Bison code

During High Temperature Gas-cooled Reactor (HTGR) operation, tristructural isotropic (TRISO) coated-particle fuel undergoes irradiation-induced changes in morphology and thermomechanical properties. Experimental results from the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program show, among other things, the mechanism of gap formation between the buffer and inner pyrolytic carbon (IPyC) layers, which could be explored further via computational simulations using the Bison code. Two simulation models were developed, the debonding restricted model, where no gap formation between buffer and IPyC layers is permitted, and the debonding enabled model, where the gap between those layers is created. The inputs of the simulated models are based on the irradiation conditions from the AGR-1 experiment. The research included simulations on spherical and aspherical fuel types. Under the specific temperatures and fluences of the AGR-1 irradiation experiment, and the Bison simulations, it was concluded that the most common scenario is a gap formation along the buffer-IPyC interface, while the least possible scenario is the situation where there is no gap formation at the buffer-IPyC junction. The computational results confirmed that the sphericity of the fuel influences the thickness of the gap that occurs at the buffer-IPyC junction, in a way that with increasing aspect ratio the gap thickness increases. The results obtained for spherical and aspherical fuel are nearly identical. Finally, performed simulations match conclusions observed from the AGR-1 experiment, which as such shows that the Bison code is a good computational method for simulating the TRISO fuel. Future simulations will include the validation of performed research and comparison of the results between Bison and PARFUME codes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

The Importance of Being Adaptable: An Exploration of the Power and Limitations of Domain Adaptation for Simulation-Based Inference with Galaxy Clusters

The application of deep machine learning methods in astronomy has exploded in the last decade, with new models showing remarkably improved performance on benchmark tasks. Not nearly enough attention is given to understanding the models' robustness, especially when the test data are systematically different from the training data, or "out of domain." Domain shift poses a significant challenge for simulation-based inference, where models are trained on simulated data but applied to real observational data. In this paper, we explore domain shift and test domain adaptation methods for a specific scientific case: simulation-based inference for estimating galaxy cluster masses from X-ray profiles. We build datasets to mimic simulation-based inference: a training set from the Magneticum simulation, a scatter-augmented training set to capture uncertainties in scaling relations, and a test set derived from the IllustrisTNG simulation. We demonstrate that the Test Set is out of domain in subtle ways that would be difficult to detect without careful analysis. We apply three deep learning methods: a standard neural network (NN), a neural network trained on the scatter-augmented input catalogs, and a Deep Reconstruction-Regression Network (DRRN), a semi-supervised deep model engineered to address domain shift. Although the NN improves results by 17% in the Training Data, it performs 40% worse on the out-of-domain Test Set. Surprisingly, the Scatter-Augmented Neural Network (SANN) performs similarly. While the DRRN is successful in mapping the training and Test Data onto the same latent space, it consistently underperforms compared to a straightforward Yx scaling relation. These results serve as a warning that simulation-based inference must be handled with extreme care, as subtle differences between training simulations and observational data can lead to unforeseen biases creeping into the results.

Ntampaka, Michelle [Baltimore, Space Telescope Sci↗
DOE OSTI2025

Python Library for Monte Carlo Simulations with Ab Initio and Machine-Learned Interatomic Potentials

There is a growing need in the simulation community for software that provides a transparent, reproducible, usable, and extensible (TRUE) Monte Carlo (MC) simulation framework employing energies from ab initio methods and machine-learning interatomic potentials (MLIPs). We introduce a Python library (ASE-MC) that adds Monte Carlo functionality to the Atomic Simulation Environment (ASE) package. Now, we can combine the powerful tools used to build systems and perform ab initio and MLIP in ASE with MC simulation algorithms to sample the configurational space with a concise Python script. After presenting the design philosophy, we demonstrate the flexibility of our approach using selected examples. These example simulations include liquid water described with a message-passing MLIP in the canonical and isothermal–isobaric ensembles, sampling the characteristic dihedral angle of biphenyl and comparing an MLIP to first-principles calculations, and a grand canonical Monte Carlo simulation of ammonia adsorption on Pt(111). These examples showcase the main features of the software, which include flexibility in the choice of ab initio or MLIP engine, ab initio or MLIP grand canonical MC with cavity bias insertions and deletions, the ability to add custom MC moves to the move set, and how users can condense complex MC workflows into a single Python script. Finally, this library serves as a framework for reproducible Monte Carlo simulations, facilitating easy reproduction of the work and application to new systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

HERO WEC V1.0 2024 - WEC-Sim Detailed Simulation Runs and Summary Data

This dataset includes results from simulations of NREL's hydraulic and electric reverse osmosis wave energy converter (HEREO WEC). Simulation runs include 135 wave cases that were based on the updated WEC-Sim model, which is linked below. The data represented in this repository is based on an updated WEC-Sim model using laboratory data to tune and refine the original WEC-Sim model for the V1.0 HERO WEC. The 135 wave cases represent waves with the following wave height and wave period ranges: - Significant Wave Height: 0.25 - 3.75m in 0.25m increments - Wave Period: 5 - 13 sec in 1 sec increments Each run was simulated using a Pierson-Moskowitz irregular wave spectrum with a 100 second ramp time, a total simulation time of 3,100 seconds, and a simulation time-step of 0.005s. A reference table has been included to map each multi condition run (MCR) case with each wave condition. Summary data set includes a spreadsheet and image files with matrices that are associated with data from simulation runs. All matrices cover the same significant wave height and wave periods from the simulation runs, in the same increments. The following matrices are included: - Power Abs: The average absorbed power from the WEC (calculated from anchor reaction force and heave velocity) - Power Hyd: The average hydraulic power output at pump (calculated from pump output flow and pressure) - Power - Hyd ROi: The average hydraulic power measured at the RO system inlet (calculated from RO system pressure and flow (pre-accumulator)) - Flow - Pump out: The average flowrate measured at the pump outlet - Flow - Perm: The average permeate (clean water) production - Flow - RO (pre): The average flowrate measured at the inlet of the RO system before the accumulators - Flow - RO (post): The average flowrate measured after the accumulator bank in the RO system - Pressure - RO: The average pressure measured at the inlet of the RO system This data set has been developed by the National Renewable Energy Laboratory, operated by the Alliance for Sustainable Energy, LLC, for the U.S. Department of Energy (DOE) under Contract No. DE-AC36-08GO28308. Funding provided by the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Water Power Technologies Office.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Sensitivity of Simulations of Double-detonation Type Ia Supernovae to Integration Methodology

Abstract We study the coupling of hydrodynamics and reactions in simulations of the double-detonation model for Type Ia supernovae. When assessing the convergence of simulations, the focus is usually on spatial resolution; however, the method of coupling the physics together as well as the tolerances used in integrating a reaction network also play an important role. In this paper, we explore how the choices made in both coupling and integrating the reaction portion of a simulation (operator/Strang splitting versus the simplified spectral deferred corrections method we introduced previously) influences the accuracy, efficiency, and nucleosynthesis of simulations of double detonations. We find no need to limit reaction rates or reduce the simulation time step to the reaction timescale. The entire simulation methodology used here is GPU-accelerated and made freely available as part of the Castro simulation code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1962

Use of Carbon Arc Lamps as Solar Simulation in Environmental Testing

This report covers work done by the authors on the solar simulator for the six-foot diameter space simulator presently in use at JPL. The space simulator was made by modifying an existent vacuum chamber and uses carbon arc lamps for solar simulation. All Ranger vehicles flown to date have been tested in this facility. The report also contains a series of appendixes covering various aspects of space-simulation design and use. Some of these appendixes contain detailed analyses of space-simulator design criteria. Others cover the techniques used in studying carbon-arc lamps and in applying them as solar simulation.

SUNFLOWER POWER SYSTEM↗
DOE OSTI2026

Performance assessment of PHITS simulations for the inverse-kinematic p( 7 Li,n) 7 Be reaction based on fast-neutron measurements with a diamond detector

The inverse-kinematics p( 7 Li,n) 7 Be reaction produces forward-focused neutron emission, offering enhanced usable flux and reduced shielding requirements. Reliable simulation of such neutron fields is essential for the development of compact accelerator-based neutron sources. In this study, a PHITS-based simulation framework for the reaction was experimentally assessed using fast-neutron measurements. Forward-directed neutrons were measured with a diamond neutron detector and quantitatively compared with simulations with newly prepared IK-Frag cross-section file based on the proton-induced reaction data in ENDF/B-VIII.1, TENDL-2023, and JENDL-4.0/HE. Measurements and simulations were performed for incident 7 Li 3+ energies ranging from 15.0 to 25.0 MeV using a 50 μm-thick polypropylene target. For all conditions, the PHITS-based simulation framework reproduced the deposited energy spectra at the correct order of magnitude. The comparison of deposited energy spectra in the diamond detector showed high correlation coefficients across all investigated energies, indicating reasonable agreement in spectral shape between simulations and measurements. This work represents an initial step toward establishing a benchmark for PHITS simulations of the inverse kinematic reaction between an incident lithium-ion and a proton target.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Scalable quantum simulations of scattering in scalar field theory on 120 qubits

Simulations of collisions of fundamental particles on a quantum computer are expected to have an exponential advantage over classical methods and promise to enhance searches for new physics. Furthermore, scattering in scalar field theory has been shown to be bounded-error quantum polynomial time (BQP) complete, making it a representative problem for which quantum computation is efficient. As a step toward large-scale quantum simulations of collision processes, scattering of wave packets in one-dimensional scalar field theory is simulated using 120 qubits of IBM’s Heron superconducting quantum computer ibm_fez. Variational circuits compressing vacuum preparation, wave packet initialization, and time evolution are determined using classical resources. By leveraging physical properties of states in the theory, such as symmetries and locality, the variational quantum algorithm constructs scalable circuits that can be used to simulate arbitrarily large system sizes. A new strategy is introduced to mitigate errors in quantum simulations, which enables the extraction of meaningful results from circuits with up to 4924 two-qubit gates and two-qubit gate depths of 103. The effect of interactions is clearly seen, and is found to be in agreement with classical matrix product state simulations. Finally, the developments that will be necessary to simulate high-energy inelastic collisions on a quantum computer are discussed.

quantum circuits↗