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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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At least 775 records · Page 43

Keeping LAMMPS cutting edge

Since its inception 30 years ago, LAMMPS has grown to be a world-class molecular dynamics code and a cornerstone of computational materials science research. This project aimed to keep LAMMPS at the forefront of molecular dynamics simulations by adapting LAMMPS to the latest developments in machine learning technology and hardware. Initially, the project set out to provide a unified implementation of active learning for efficient training data generation in LAMMPS, but the research trajectory pivoted to address more immediate and impactful opportunities. On the hardware side, recent record-breaking molecular dynamics simulations were developed on the Cerebras wafer-scale AI chip, and this project has developed an interface between LAMMPS and the hardware-specific molecular dynamics code to accelerate and simplify development and user adoption. On the software side, PyTorch’s Ahead-of-Time (AOT) compilation features promised increased performance for state-of-the-art equivariant neural network potentials, and this project laid the groundwork for their adoption in LAMMPS, resulting in a nearly 20x acceleration in extreme cases. Combined with a comprehensive benchmark study of LAMMPS across all current exascale systems, this project has reinforced LAMMPS’s role as a versatile, high-performance tool for current and future materials science applications.

36 MATERIALS SCIENCE↗

Rotating Rake Turbofan Duct Mode Measurement System

An experimental measurement system was developed and implemented by the NASA Glenn Research Center in the 1990s to measure turbofan duct acoustic modes. The system is a continuously rotating radial microphone rake that is inserted into the duct. This Rotating Rake provides a complete map of the acoustic duct modes present in a ducted fan and has been used on a variety of test articles: from a low-speed, concept test rig, to a full-scale production turbofan engine. The Rotating Rake has been critical in developing and evaluating a number of noise reduction concepts as well as providing experimental databases for verification of several aero-acoustic codes. More detailed derivation of the unique Rotating Rake equations are presented in the appendix.

Sutliff, Daniel L.↗

Integrated Modeling of Aerosol, Cloud, Precipitation and Land Processes at Satellite-Resolved Scales

With support from NASA's Modeling and Analysis Program, we have recently developed the NASA Unified-Weather Research and Forecasting model (NU-WRF). NU-WRF is an observation-driven integrated modeling system that represents aerosol, cloud, precipitation and land processes at satelliteresolved scales. "Satellite-resolved" scales (roughly 1e25 km), bridge the continuum between local (microscale), regional (mesoscale) and global (synoptic) processes. NU-WRF is a superset of the National Center for Atmospheric Research (NCAR) Advanced Research WRF (ARW) dynamical core model, achieved by fully integrating the GSFC Land Information System (LIS, already coupled to WRF), the WRF/ Chem enabled version of the Goddard Chemistry Aerosols Radiation Transport (GOCART) model, the Goddard Satellite Data Simulation Unit (G-SDSU), and custom boundary/initial condition preprocessors into a single software release, with source code available by agreement with NASA/GSFC. Full coupling between aerosol, cloud, precipitation and land processes is critical for predicting local and regional water and energy cycles.

Satellite-resolved↗

Assessing Uncertainties and Approximations in Solar Heating of the Climate System

In calculating solar radiation, climate models make many simplifications, in part to reduce computational cost and enable climate modeling, and in part from lack of understanding of critical atmospheric information. Whether known errors or unknown errors, the community's concern is how these could impact the modeled climate. The simplifications are well known and most have published studies evaluating them, but with individual studies it is difficult to compare. Here, we collect a wide range of such simplifications in either radiative transfer modeling or atmospheric conditions and assess potential errors within a consistent framework on climate-relevant scales. We build benchmarking capability around a solar heating code (Solar-J) that doubles as a photolysis code for chemistry and can be readily adapted to consider other errors and uncertainties. The broad classes here include: use of broad wavelength bands to integrate over spectral features; scattering approximations that alter phase function and optical depths for clouds and gases; uncertainty in ice-cloud optics; treatment of fractional cloud cover including overlap; and variability of ocean surface albedo. We geographically map the errors in W m -2 using a full climate re-creation for January 2015 from a weather forecasting model. For many approximations assessed here, mean errors are ~2 W m -2 with greater latitudinal biases and are likely to affect a model’s ability to match the current climate state. Combining this work with previous studies, we make priority recommendations for fixing these simplifications based on both the magnitude of error and the ease or computational cost of the fix.

58 GEOSCIENCES↗

Nek5000 developments in support of industry and the NRC

This year, the Nuclear Energy Advanced Modeling Simulation program (NEAMS) thermal-hydraulics verification and validation (V&V) work has focused in three areas of Nek5000 V&V-driven development. First, in a close collaborative effort with the U. S. Nuclear Regulatory Commission (NRC) staff, we have continued V&V efforts for the HYMERES-2 project using the OECD/NEA sponsored testing in the PSI PANDA facility. This year’s focus of ANL-NRC collaboration involves Nek5000 setups and validation for a range of problems relevant to and including the HYMERES-2 benchmark from PSI. The primary outcome of this year efforts is a more efficient geometry and inlet modeling simplification after a careful sensitivity study of the inlet profiles and pipe geometries. The resulting modeling choice of a short recycling/fully-developed turbulent inlet is within the experimental uncertainty estimate. This finding simplifies the next step of the cross-V&V HYMERES-2 project. In addition, the ANL team continue to provide assistance to the NRC staff in the form of Nek5000 application support in general and on the use of the HPC platforms of ALCF and INL in particular. This supports the NRC’s assessment of Nek5000 for use with the NRC Blue CRAB code suite. Second, we have implemented and tested more robust model of URANS, namely the k – τ model, a variant of the k-ω model, along with other improvements to RANS Nek5000 modeling in general. Because of its demonstrated robustness and stability, the k – τ model is the only RANS model that has been implemented in the new GPU version of the Nek5000 code, nekRS. Lastly, we report the initial implementation of Jacobian-free Newton Krylov approach to the direct Newton method for steady fluid solvers aimed at acceleration of RANS modeling and at IC improvement for LES campaigns. Also leveraging the Exascale Computing Project (ECP) ANL/CEED & SMR team’s software development effort to support NEAMS problems at large scale of the advanced computing architectures, NekRS, a GPU variant of Nek5000, built on top of kernels from libParanumal using OCCA for portability, has been successfully run on the full system of Summit (4608 nodes, 27648 GPUs).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

PATOKA: Simulating Electromagnetic Observables of Black Hole Accretion

Abstract The Event Horizon Telescope (EHT) has released analyses of reconstructed images of horizon-scale millimeter emission near the supermassive black hole at the center of the M87 galaxy. Parts of the analyses made use of a large library of synthetic black hole images and spectra, which were produced using numerical general relativistic magnetohydrodynamics fluid simulations and polarized ray tracing. In this article, we describe the PATOKA pipeline, which was used to generate the Illinois contribution to the EHT simulation library. We begin by describing the relevant accretion systems and radiative processes. We then describe the details of the three numerical codes we use, iharm , ipole , and igrmonty , paying particular attention to differences between the current generation of the codes and the originally published versions. Finally, we provide a brief overview of simulated data as produced by PATOKA and conclude with a discussion of limitations and future directions.

79 ASTRONOMY AND ASTROPHYSICS↗

Incoherent scatter radar observations of irregular structure in mid-latitude sporadic E layers

The basic experiments used phase-coded pulses to record electron density profiles with a resolution of 600 m in range and 300 m in horizontal extent, while scanning in azimuth. Data from incoherent scatter radar were compared with simultaneous ionosonde observations. Observations of sporadic E layers by incoherent scatter radar were discussed in terms of the effects of the neutral wind system acting on metallic ions. Several features were noted in the data, which support the wind shear mechanism of layer formation. The sporadic E layers often contained a pronounced small-scale structure, especially at times when partially transparent echoes were observed by the ionosonde. Under specific conditions, the ions in a meteor trail can be converged by a shear in the neutral wind into a relatively small irregularity at the center of a sporadic E layer.

Miller, K. L.↗

Effect of subcooling on the on-orbit pressurization rate of cryogenic propellant tankage

The SOLA-ECLIPSE code is being developed to enable prediction of the behavior of cryogenic propellants in spacecraft tankage. A brief description of the formulations used for modeling heat transfer and for determining thermodynamic state is presented. Code performance is verified through comparison to experimental data for the self-pressurization of scale model liquid hydrogen tanks. SOLA-ECLIPSE is used to examine the effect of initial subcooling of the liquid phase on the self-pressurization rate of an on-orbit full scale liquid hydrogen tank typical for a chemical propulsion Orbital Transfer Vehicle. The computational predictions show that even small amounts of subcooling will significantly decrease the self-pressurization rate. Further, if the cooling is provided by a Thermodynamic Vent System, it is concluded that small levels of subcooling will maximize propellant conservation.

Hochstein, J. I.↗

Measurement of the UH-60A Hub Large Rotor Test Apparatus Control System Stiffness

This purpose of this report is to provides details of the measurement of the control system stiffness of the UH-60A rotor hub mounted on the Large Rotor Test Apparatus (UH-60A/LRTA). The UH-60A/LRTA was used in the 40- by 80-Foot Wind Tunnel to complete the full-scale wind tunnel test portion of the NASA / ARMY UH-60A Airloads Program. This report describes the LRTA control system and highlights the differences between the LRTA and UH-60A aircraft. The test hardware, test setup, and test procedures are also described. Sample results are shown, including the azimuthal variation of the measured control system stiffness for three different loadings and two different dynamic actuator settings. Finally, the azimuthal stiffness is converted to fixed system values using multi-blade transformations for input to comprehensive rotorcraft prediction codes.

Large Rotor Test Apparatus↗

PATOKA: Simulating Electromagnetic Observables of Black Hole Accretion

The Event Horizon Telescope (EHT) has released analyses of reconstructed images of horizon-scale millimeter emission near the supermassive black hole at the center of the M87 galaxy. Parts of the analyses made use of a large library of synthetic black hole images and spectra, which were produced using numerical general relativistic magnetohydrodynamics fluid simulations and polarized ray tracing. In this article, we describe the PATOKA pipeline, which was used to generate the Illinois contribution to the EHT simulation library. We begin by describing the relevant accretion systems and radiative processes. We then describe the details of the three numerical codes we use, iharm, ipole, and igrmonty, paying particular attention to differences between the current generation of the codes and the originally published versions. Finally, we provide a brief overview of simulated data as produced by PATOKA and conclude with a discussion of limitations and future directions.

supermassive black holes↗

Leveraging Qubit Loss Detection in Fault-Tolerant Quantum Algorithms

Qubit loss errors constitute a dominant source of noise in many quantum hardware systems, particularly in neutral-atom quantum computers. We develop a theoretical framework to effectively detect and correct loss errors in logical algorithms and leverage such loss information in decoding. Considering general quantum error correction codes and logical circuits, we introduce a delayed-erasure decoder for experimentally motivated error models which leverages information from delayed loss detection to accurately correct loss errors, even when the precise moment of the error is unknown. Using this decoder, we identify strategies for detecting and correcting loss errors based on the logical circuit structure. For deep circuits prior to logical measurement, we explore methods to integrate loss detection into syndrome extraction with minimal overhead, identifying optimal strategies depending on the qubit loss fraction in the noise and hardware capabilities. In contrast, we find that many key algorithmic subroutines involve frequent gate teleportation, shortening the circuit depth before logical measurement and naturally replacing qubits with no additional experimental overhead. We simulate this setting using a toy model algorithm for small-angle synthesis and find a significant performance improvement as the loss fraction increases. These results provide a path forward for advancing large-scale fault-tolerant quantum computation in systems with loss error detection.

atoms↗

Development and Experimental Validation of a Heat Transfer Model for Spilled Molten Salt Pools

A spill of radionuclide-bearing molten salt is one of the major postulated events that needs to be analyzed for liquid fluorine salt-cooled high-temperature reactor (FHR) or molten salt reactor licensing purposes. In this postulated event, radioactive source term materials (RSTMs) in the molten salt are discharged from the reactor vessel to the reactor building. The release of RSTMs from the spilled salt pool to the gas space in the reactor building is expected to be controlled by the cooling behavior of the spilled salt, including the growth and shrinkage of the solid crust on the surface of the spilled salt pool. This paper presents a simulation model for spilled salt pool heat transfer and validation efforts. The validation data come from two molten salt spill tests that were performed recently: the PELE2 test by the Rapid Experimental Laboratory of Kairos Power LLC (KP) and the Argonne salt cooling test conducted by Argonne National Laboratory. The former was a large-scale test involving kilograms of molten spilled FLiNaK salt, and the latter was a relatively smaller-scale test targeting various processes associated with a salt spill event. Both tests generated valuable data sets that can be used to assess salt cooling and validate evaluation models. This paper provides a new one-dimensional model that can simulate the cooling process of a spilled salt pool as well as the thermal responses of heat structures, such as the stainless steel liner and the concrete below the salt. The model has been implemented as part of KP-SAM code, which is a branch of the systems code SAM specific to KP FHR. In conclusion, the simulation results of the model are compared with the data of the PELE2 and Argonne tests, and reasonable agreements are observed between the model and test data.

heat transfer model↗

A Simple, Scalable Large Deformation Solid Mechanics Implementation in the MOOSE Framework

This article describes a large deformation solid mechanics solver implemented as part of the freely available and open source MOOSE finite element simulation framework. The article documents the choices made in developing the solid mechanics framework and describes novel formulations for the gradient operator and constitutive modeling framework made to simplify implementations of different coordinate systems, stabilized gradient operators, and different constitutive model inputs and outputs. In the process, the article describes a new formulation that casts objective integration of the Cauchy stress as a linear transformation of the small stress rate. Finally, the article presents key implementation details and examines the parallel efficiency of the solid mechanics solver implemented in MOOSE. The implementation retains a good weak scaling efficiency beyond 1,000 parallel processes. The article includes a discussion of the factors limiting the parallel efficiency of implicit, large deformation solid mechanics codes on current high-performance computers, with the main current limitation being the scalability of the algebraic multigrid methods used to solve the linearized equilibrium equations.

Applied computing → Computer-aided design↗

Development of a Grid-Independent Geos-Chem Chemical Transport Model (v9-02) as an Atmospheric Chemistry Module for Earth System Models

The GEOS-Chem global chemical transport model (CTM), used by a large atmospheric chemistry research community, has been re-engineered to also serve as an atmospheric chemistry module for Earth system models (ESMs). This was done using an Earth System Modeling Framework (ESMF) interface that operates independently of the GEOSChem scientific code, permitting the exact same GEOSChem code to be used as an ESM module or as a standalone CTM. In this manner, the continual stream of updates contributed by the CTM user community is automatically passed on to the ESM module, which remains state of science and referenced to the latest version of the standard GEOS-Chem CTM. A major step in this re-engineering was to make GEOS-Chem grid independent, i.e., capable of using any geophysical grid specified at run time. GEOS-Chem data sockets were also created for communication between modules and with external ESM code. The grid-independent, ESMF-compatible GEOS-Chem is now the standard version of the GEOS-Chem CTM. It has been implemented as an atmospheric chemistry module into the NASA GEOS- 5 ESM. The coupled GEOS-5-GEOS-Chem system was tested for scalability and performance with a tropospheric oxidant-aerosol simulation (120 coupled species, 66 transported tracers) using 48-240 cores and message-passing interface (MPI) distributed-memory parallelization. Numerical experiments demonstrate that the GEOS-Chem chemistry module scales efficiently for the number of cores tested, with no degradation as the number of cores increases. Although inclusion of atmospheric chemistry in ESMs is computationally expensive, the excellent scalability of the chemistry module means that the relative cost goes down with increasing number of cores in a massively parallel environment.

CTM↗

Reliable voltage scaled links for compressed data

Systems, apparatuses, and methods for reliably transmitting data over voltage scaled links are disclosed. A computing system includes at least first and second devices connected via a link. In one implementation, if a data block can be compressed to less than or equal to half the original size of the data block, then the data block is compressed and sent on the link in a single clock cycle rather than two clock cycles. If the data block cannot be compressed to half the original size, but if the data block can be compressed enough to include error correction code (ECC) bits without exceeding the original size, then ECC bits are added to the compressed block which is sent on the link at a reduced voltage. The ECC bits help to correct for any errors that are generated as a result of operating the link at the reduced voltage.

42 ENGINEERING↗

Numerical simulation of coupled THM behaviour of full-scale EBS in backfilled experimental gallery in the Horonobe URL

Bentonite-based engineered barrier system (EBS) is a key component of many repository designs for the geological disposal of high-level radioactive waste. Given the complexity and interaction of the phenomena affecting the barrier system, coupled thermo-hydro-mechanical (THM) numerical analyses are a potentially useful tool for a better understanding of their behaviour. In this context, a Task (the Horonobe EBS experiment) was undertaken to study, using numerical analyses, the thermo-hydro-mechanical (and thermo-hydro) interactions in bentonite based engineered barriers within the international cooperative project DECOVALEX 2023. One full-scale in-situ experiment and four laboratory experiments, largely complementary, were selected for modelling. The Horonobe EBS experiment is a temperature-controlled non-isothermal experiment combined with artificial groundwater injection. The Horonobe EBS experiment consists of the heating and cooling phases. Six research teams performed the THM or TH (depended on research team approach) numerical analyses using a variety of computer codes, formulations and constitutive laws. Finally, for each experiment, the basic features of the analyses are described and the comparison between calculations and laboratory experiments and field observations are presented and discussed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

SPIN or LURCH : a Comparative Assessment of Model Checking and Stochastic Search for Temporal Properties in Procedural Code

The difficulty of how to test large systems, such as the one on board a NASA robotic remote explorer (RRE) vehicle, is fundamentally a search issue: the global state space representing all possible has yet to be solved, even after many decades of work. Randomized algorithms have been known to outperform their deterministic counterparts for search problems representing a wide range of applications. In the case study presented here, the LURCH randomized algorithm proved to be adequate to the task of testing a NASA RRE vehicle. LURCH found all the errors found by an earlier analysis of a more complete method (SPIN). Our empirical results are that LURCH can scale to much larger models than standard model checkers like SMV and SPIN. Further, the LURCH analysis was simpler than the SPIN analysis. The simplicity and scalability of LURCH are two compelling reasons for experimenting further with this tool.

verification↗

Findings from the Supersonic Qualification Program of the Mars Science Laboratory Parachute System

In 2012, the Mars Science Laboratory Mission (MSL) will deploy NASA's largest extra-terrestrial parachute, a technology integral to the safe landing of its advanced robotic explorer on the surface. The supersonic parachute system is a mortar deployed 21.5 m disk-gap-band (DGB) parachute, identical in geometric scaling to the Viking era DGB parachutes of the 1970's. The MSL parachute deployment conditions are Mach 2.3 at a dynamic pressure of 750 Pa. The Viking Balloon Launched Decelerator Test (BLDT) successfully demonstrated a maximum of 700 Pa at Mach 2.2 for a 16.1 m DGB parachute in its AV4 flight. All previous Mars deployments have derived their supersonic qualification from the Viking BLDT test series, preventing the need for full scale high altitude supersonic testing. The qualification programs for Mars Pathfinder, Mars Exploration Rover, and Phoenix Scout Missions were all limited to subsonic structural qualification, with supersonic performance and survivability bounded by the BLDT qualification. The MSL parachute, at the edge of the supersonic heritage deployment space and 33% larger than the Viking parachute, accepts a certain degree of risk without addressing the supersonic environment in which it will deploy. In addition, MSL will spend up to 10 seconds above Mach 1.5, an aerodynamic regime that is associated with a known parachute instability characterized by significant canopy projected area fluctuation and dynamic drag variation. This aerodynamic instability, referred to as "area oscillations" by the parachute community has drag performance, inflation stability, and structural implications, introducing risk to mission success if not quantified for the MSL parachute system. To minimize this risk and as an alternative to a prohibitively expensive high altitude test program, a multi-phase qualification program using computation simulation validated by subscale test was developed and implemented for MSL. The first phase consisted of 2% of fullscale supersonic wind tunnel testing of a rigid DGB parachute with entry-vehicle to validate two high fidelity computational fluid dynamics (CFD) tools. The computer codes utilized Large Eddy Simulation and Detached Eddy Simulation numerical approaches to accurately capture the turbulent wake of the entry vehicle and its coupling to the parachute bow-shock. The second phase was the development of fluid structure interaction (FSI) computational tools to predict parachute response to the supersonic flow field. The FSI development included the integration of the CFD from the first phase with a finite element structural model of the parachute membrane and cable elements. In this phase, a 4% of full-scale supersonic flexible parachute test program was conducted to provide validation data to the FSI code and an empirical dataset of the MSL parachute in a flight-like environment. The final phase is FSI simulations of the full-scale MSL parachute in a Mars type deployment. Findings from this program will be presented in terms of code development and validation, empirical findings from the supersonic testing, and drag performance during supersonic operation.

EDL↗