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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

Investigation of multiple scattering effects in aerosols

The results are presented of investigations on the various aspects of multiple scattering effects on visible and infrared laser beams transversing dense fog oil aerosols contained in a chamber (4' x 4' x 9'). The report briefly describes: (1) the experimental details and measurements; (2) analytical representation of the aerosol size distribution data by two analytical models (the regularized power law distribution and the inverse modified gamma distribution); (3) retrieval of aerosol size distributions from multispectral optical depth measurements by two methods (the two and three parameter fast table search methods and the nonlinear least squares method); (4) modeling of the effects of aerosol microphysical (coagulation and evaporation) and dynamical processes (gravitational settling) on the temporal behavior of aerosol size distribution, and hence on the extinction of four laser beams with wavelengths 0.44, 0.6328, 1.15, and 3.39 micrometers; and (5) the exact and approximate formulations for four methods for computing the effects of multiple scattering on the transmittance of laser beams in dense aerosols, all of which are based on the solution of the radiative transfer equation under the small angle approximation.

Deepak, A.↗
NASA NTRS2017

Infrared Free Space Communication - The Autonomous Testing of Free Space Infrared Communication

Fiber optics has been a winning player in the game of high-speed communication and data transfer in cable connections. Yet, in free space RF has been the repeated choice of communication medium of the space industry. Investigating the benefits of free space optical communication over radio frequency is worthwhile. An increase in science data rate return capabilities could occur if optical communication is implemented. Optical communication systems also provide efficiencies in power, mass, and volume over RF systems1. Optical communication systems have been demonstrated from a satellite in orbit with the moon to earth, and resulted in the highest data rates ever seen through space (622Mbps)2. Because of these benefits, optical communication is far superior to RF. The HiDRA (High Data Rate Architecture) project is researching Passive Misalignment Mitigation of Dynamic Free Apace Optical Communication Links. The goal of this effort is to enable gigabit per second transmission of data in short range dynamic links (less than 100 meters). In practice this would enhance data rates between sites on the International Space Station with minimal size, weight, and power requirements. This paper will focus on an autonomous code and a hardware setup that will be used to fulfill the next step in the research being conducted. The free space optical communications pointing downfalls will be investigated. This was achieved by creating 5 python programs and a top-level code to automate this test.

Heldman, Christopher↗
DOE OSTI2025

High-Fidelity CFD Simulation of Mixed Convection and Forced Convection in a Pebble Bed Test Reactor Core

The Hermes low-power [35-MW(thermal)] reactor will be built and operated by Kairos Power LLC (KP) to demonstrate its fluoride salt-cooled high-temperature reactor (FHR) technology. In the KP FHR, the reactor core is composed of randomly packed pebbles with TRISO fuel particles inside with FLiBe flow upward through the core acting as a coolant. Previous numerical and experimental studies have been limited to either a small-size bed or to a lack of detailed measurements for heat transfer. Here, to address the lack of high-fidelity heat transfer data in a real-size FHR core, in this study, we simulated a pebble bed core with 34 374 pebbles randomly packed, similar to the Hermes reactor's size. The core radius was 14 times that of the pebble diameter, while the core height was 45 times. In this work, we were particularly interested in a mixed convection regime, where buoyancy is important. Therefore, we performed several large-eddy simulations at different Reynolds numbers (160 to 1000) with gravitational force included. The spectral element computational fluid dynamics code NekRS with graphics processing unit acceleration was used for this study. The low-Mach number approximation was applied to address property changes in the FLiBe and to account for buoyancy. A pure hexahedral mesh with 60 million elements was generated by the Voronoi cell method. At the polynomial order of 5, the total degrees of freedom was 7.5 billion. The developed case in this work is the first of its kind in terms of size and complexity. The local numerical data across the domain were obtained and compared with empirical correlations. After examining the data, we found the following conclusions. For pressure drop, the Reger correlation predicted less than a 5% error. On the other hand, for heat transfer, the Wakao correlation outperformed the others. Based on our findings, we recommend the use of the Wakao correlation for the Nusselt number calculation, and for pressure drop, the KTA (Kerntechnischer Ausschuss) correclation, among the available experimental correlations. In conclusion, the Reger direct numerical simulation-driven correlation for pressure drops should also be considered, given its best agreement with our calculations.

Mixed Convection↗
DOE OSTI2025

Spectral proper orthogonal decomposition of active wake mixing dynamics in a stable atmospheric boundary layer

Recent advancements in the use of active wake mixing (AWM) to reduce wake effects on downstream turbines open new avenues for increasing power generation in wind farms. However, a better understanding of the fluid dynamics underlying AWM is still needed to make wake mixing a reliable strategy for wind farm flow control. In this work, a spectral proper orthogonal decomposition (SPOD) is used to analyze the dynamics of coherent flow structures that are induced in the wake through blade pitch actuation. The data are generated using the ExaWind software suite to perform large eddy simulations of an NREL 2.8 MW turbine operating in a stable atmospheric boundary layer. SPOD tracks the modal behavior of flow structures from their generation in the turbine induction field through their growth in the near-wake region and to their subsequent evolution and energy transfers in the far wake. SPOD is shown to be a useful tool in the context of AWM because it translates the wavenumber and frequency inputs to the turbine controller to structures in the wake. A decomposition of the radial shear stress flux in the wake is also developed using SPOD to measure the contribution of coherent flow structures to mean flow turbulent entrainment and wake recovery. The effectiveness of AWM is connected to its ability to excite inherent structures in the wake of the turbine that arise using baseline controls. The effects of AWM on blade loading are also analyzed by connecting the axial force along the blade to the SPOD analysis of the turbine induction field. Lastly, the performance of different AWM strategies is demonstrated in a two-turbine array.

17 WIND ENERGY↗
NASA NTRS2012

Mars Science Laboratory Drill

This drill (see Figure 1) is the primary sample acquisition element of the Mars Science Laboratory (MSL) that collects powdered samples from various types of rock (from clays to massive basalts) at depths up to 50 mm below the surface. A rotary-percussive sample acquisition device was developed with an emphasis on toughness and robustness to handle the harsh environment on Mars. It is the first rover-based sample acquisition device to be flight-qualified (see Figure 2). This drill features an autonomous tool change-out on a mobile robot, and novel voice-coil-based percussion. The drill comprises seven subelements. Starting at the end of the drill, there is a bit assembly that cuts the rock and collects the sample. Supporting the bit is a subassembly comprising a chuck mechanism to engage and release the new and worn bits, respectively, and a spindle mechanism to rotate the bit. Just aft of that is a percussion mechanism, which generates hammer blows to break the rock and create the dynamic environment used to flow the powdered sample. These components are mounted to a translation mechanism, which provides linear motion and senses weight-on-bit with a force sensor. There is a passive-contact sensor/stabilizer mechanism that secures the drill fs position on the rock surface, and flex harness management hardware to provide the power and signals to the translating components. The drill housing serves as the primary structure of the turret, to which the additional tools and instruments are attached. The drill bit assembly (DBA) is a passive device that is rotated and hammered in order to cut rock (i.e. science targets) and collect the cuttings (powder) in a sample chamber until ready for transfer to the CHIMRA (Collection and Handling for Interior Martian Rock Analysis). The DBA consists of a 5/8-in. (.1.6- cm) commercial hammer drill bit whose shank has been turned down and machined with deep flutes designed for aggressive cutting removal. Surrounding the shank of the bit is a thick-walled maraging steel collection tube allowing the powdered sample to be augured up the hole into the sample chamber. For robustness, the wall thickness of the DBA was maximized while still ensuring effective sample collection. There are four recesses in the bit tube that are used to retain the fresh bits in their bit box. The rotating bit is supported by a back-to-back duplex bearing pair within a housing that is connected to the outer DBA housing by two titanium diaphragms. The only bearings on the drill in the sample flow are protected by a spring-energized seal, and an integrated shield that diverts the ingested powdered sample from the moving interface. The DBA diaphragms provide radial constraint of the rotating bit and form the sample chambers. Between the diaphragms there is a sample exit tube from which the sample is transferred to the CHIMRA. To ensure that the entire collected sample is retained, no matter the orientation of the drill with respect to gravity during sampling, the pass-through from the forward to the aft chamber resides opposite to the exit tube.

Okon, Avi B.↗
DOE OSTI2025

Similarity Metric for Data Optimization and Efficient Training of Reactive Machine Learning Force Fields for Hydrocarbon Radiolysis

Radiolysis is a common approach to sterilize polymers, chemically modify them for upcycling, and accelerate their decomposition for recycling purposes. Reactive molecular dynamics (MD) simulations provide a powerful tool to generate atomic-level trajectories of the reactive processes and quantify radiolytic chemical degradation pathways. For this, machine learning (ML) surrogate models for reactive force fields with quantum mechanical accuracy are now widely used, which require ML training data sets that can provide information on atomic environments for target chemical systems. However, radiolysis chemistry can be highly complex and diverse, which poses significant challenges for generating training data to parametrize ML models. In this regard, we developed a method for optimizing the training data set using a cosine similarity metric to help guide training set selection for radiolysis of polyethylene, a model hydrocarbon polymer, as well as to enhance the transferability of our reactive ML force field (MLFF) to a variety of molecular and polymeric systems. Our approach performs atom-by-atom comparisons between local atomic environments to pinpoint important data points associated with rare and localized events, such as radiolysis damage within structures. We apply this approach to train the Chebyshev Interaction Model for Efficient Simulation (ChIMES) MLFF model, which expresses the atomic interaction potentials in terms of linear combinations of many-body Chebyshev polynomials. We first show that our method can reduce our training set size by ∼70% while improving overall accuracy compared to more standard MD model fitting approaches. We then validate our optimum model against diverse hydrocarbon simulation data, including simple alkanes and systems with unsaturated carbon bonds, over a wide range of thermodynamic conditions. Finally, we use our ChIMES model to perform MD simulations of radiolytic damage with large-scale systems that help avoid system size effects. Overall, our approach yields an MD force field that retains most of the accuracy of the underlying quantum method while yielding many orders of improvement in computational efficiency. In conclusion, our efforts will have impact on future hydrocarbon polymer radiolysis studies, where the chemical details of the polymer–radiation interactions can have a strong effect on the resulting products observed in experiments.

Hydrocarbons↗
NASA NTRS2014

How Dusty Is Alpha Centauri? Excess or Non-excess over the Infrared Photospheres of Main-sequence Stars

Context. Debris discs around main-sequence stars indicate the presence of larger rocky bodies. The components of the nearby, solar-type binary Centauri have metallicities that are higher than solar, which is thought to promote giant planet formation. Aims. We aim to determine the level of emission from debris around the stars in the Cen system. This requires knowledge of their photospheres.Having already detected the temperature minimum, Tmin, of CenA at far-infrared wavelengths, we here attempt to do the same for the moreactive companion Cen B. Using the Cen stars as templates, we study the possible eects that Tmin may have on the detectability of unresolveddust discs around other stars. Methods.We used Herschel-PACS, Herschel-SPIRE, and APEX-LABOCA photometry to determine the stellar spectral energy distributions in thefar infrared and submillimetre. In addition, we used APEX-SHeFI observations for spectral line mapping to study the complex background around Cen seen in the photometric images. Models of stellar atmospheres and of particulate discs, based on particle simulations and in conjunctionwith radiative transfer calculations, were used to estimate the amount of debris around these stars. Results. For solar-type stars more distant than Cen, a fractional dust luminosity fd LdustLstar 2 107 could account for SEDs that do not exhibit the Tmin eect. This is comparable to estimates of fd for the Edgeworth-Kuiper belt of the solar system. In contrast to the far infrared,slight excesses at the 2:5 level are observed at 24 m for both CenA and B, which, if interpreted as due to zodiacal-type dust emission, wouldcorrespond to fd (13) 105, i.e. some 102 times that of the local zodiacal cloud. Assuming simple power-law size distributions of the dustgrains, dynamical disc modelling leads to rough mass estimates of the putative Zodi belts around the Cen stars, viz.4106 M$ of 4 to 1000 msize grains, distributed according to n(a) a3:5. Similarly, for filled-in Tmin emission, corresponding Edgeworth-Kuiper belts could account for103 M$ of dust. Conclusions. Our far-infrared observations lead to estimates of upper limits to the amount of circumstellar dust around the stars CenA and B.Light scattered andor thermally emitted by exo-Zodi discs will have profound implications for future spectroscopic missions designed to searchfor biomarkers in the atmospheres of Earth-like planets. The far-infrared spectral energy distribution of Cen B is marginally consistent with thepresence of a minimum temperature region in the upper atmosphere of the star. We also show that an Cen A-like temperature minimum mayresult in an erroneous apprehension about the presence of dust around other, more distant stars.

metallicities↗
DOE OSTI2023

Uncertainty-driven dynamics for active learning of interatomic potentials

Machine learning (ML) models, if trained to data sets of high-fidelity quantum simulations, produce accurate and efficient interatomic potentials. Active learning (AL) is a powerful tool to iteratively generate diverse data sets. In this approach, the ML model provides an uncertainty estimate along with its prediction for each new atomic configuration. If the uncertainty estimate passes a certain threshold, then the configuration is included in the data set. Here we develop a strategy to more rapidly discover configurations that meaningfully augment the training data set. The approach, uncertainty-driven dynamics for active learning (UDD-AL), modifies the potential energy surface used in molecular dynamics simulations to favor regions of configuration space for which there is large model uncertainty. The performance of UDD-AL is demonstrated for two AL tasks: sampling the conformational space of glycine and sampling the promotion of proton transfer in acetylacetone. The method is shown to efficiently explore the chemically relevant configuration space, which may be inaccessible using regular dynamical sampling at target temperature conditions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Critical Role of Anion–Solvent Interactions for Dynamics of Solvent-in-Salt Solutions

Most polar solvent molecules are unstable toward electrode materials used in Li-based batteries. Solid electrolytes and ionic liquids are far more stable; however, they have relatively low conductivity, and therefore electrical energy storage devices based on them would suffer from low power. Solvent-in-salt (SIS) systems combine chemical stability with relatively high conductivity. Here, we show how the nature of the employed anion affects the structure and dynamics of SIS systems. The transport of ions in lithium bis(fluorosulfonyl)imide (Li-FSI) systems was determined to be always faster than that in lithium bis(trifluoromethanesulfonyl)imide (Li-TFSI) systems. Moreover, we found that viscosity does not solely control conductivity and that the lower conductivity of TFSI – solutions is related to their stronger interaction with the solvent. This restricts solvent dynamics and slows down ion motions compared to that of FSI – . Interestingly, the TFSI–solvent interaction also leads to better charge separation (weaker ion–ion correlations) and a higher transference number for Li. Finally, our results suggest that the ability to tune the solvent network formed around the anions may further improve electrolyte conductivity and Li transference number for safer and more efficient energy storage devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2002

Propulsive Small Expendable Deployer System (ProSEDS)

The Propulsive Small Expendable Deployer System (ProSEDS) space experiment will demonstrate the use of an electrodynamic tether propulsion system to generate thrust in space by decreasing the orbital altitude of a Delta 11 Expendable Launch Vehicle second stage. ProSEDS, which is planned on an Air Force GPS Satellite replacement mission in June 2002, will use the flight proven Small Expendable Deployer System (SEDS) to deploy a tether (5 km bare wire plus 10 km non-conducting Dyneema) from a Delta 11 second stage to achieve approx. 0.4N drag thrust. ProSEDS will utilize the tether-generated current to provide limited spacecraft power. The ProSEDS instrumentation includes Langmuir probes and Differential Ion Flux Probes, which will determine the characteristics of the ambient ionospheric plasma. Two Global Positioning System (GPS) receivers will be used (one on the Delta and one on the endmass) to help determine tether dynamics and to limit transmitter operations to occasions when the spacecraft is over selected ground stations. The flight experiment is a precursor to the more ambitious electrodynamic tether upper stage demonstration mission, which will be capable of orbit raising, lowering and inclination changes-all using electrodynamic thrust. An immediate application of ProSEDS technology is for the removal of spent satellites for orbital debris mitigation. In addition to the use of this technology to provide orbit transfer and debris mitigation it may also be an attractive option for future missions to Jupiter and any other planetary body with a magnetosphere.

Curtis, Leslie↗
DOE OSTI2023

Helical Fins for Concentrated Solar Receivers: Design Optimization and Entropy Analysis

Concentrated solar power (CSP) with thermal energy storage (TES) has the potential to achieve grid parity. This can be realized by operating CSP systems at temperatures above 700 °C with high-efficiency sCO 2 power cycles. However, operating CSP systems at such temperatures poses several challenges, among which the design of solar receivers to accommodate increased thermal loads is critical. To this end, this work explores and optimizes various swirl-inducing internal fin designs for solar receiver tubes. These fin designs not only improve the thermal performance of receiver tubes but also levelize temperature unevenness caused by non-uniform thermal loading. In this work, the geometric parameters of the fin designs are optimized to maximize the Nusselt number with a constraint on the friction factor. This optimization, however, is computationally intensive, requiring hundreds of simulation calls to computational fluid dynamics (CFD) models. Here, to circumvent this problem, surrogate models are used to approximate the simulation outputs needed during the optimization. In addition, this study also examines the fin designs from an entropy generation perspective. To this end, the entropy contributions from thermal and viscous effects are quantitatively compared while varying the operational Reynolds number.

14 SOLAR ENERGY↗
NASA NTRS2000

Propulsive Small Expendable Deployer System (ProSEDS)

The Propulsive Small Expendable Deployer System (ProSEDS) space experiment will demonstrate the use of an electrodynamic tether propulsion system to generate thrust in space by decreasing the orbital altitude of a Delta II Expendable Launch Vehicle (ELV) second stage. ProSEDS, which is planned to fly in 2001, will use the flight proven Small Expendable Deployer System (SEDS) to deploy a tether (5km bare wire plus 10 km spectra or dyneema) from a Delta II second stage to achieve approximately 0.4N drag thrust. ProSEDS will utilize the tether-generated current to provide limited spacecraft power. The ProSEDs instrumentation includes a Langmuir probe and Differential Ion Flux Probe, which will determine the characteristics of the ambient ionospheric plasma. Two Global Positioning System (GPS) receivers will be used (one on the Delta and one on the endmass) to help determine tether dynamics and to limit transmitter operations to occasions when the spacecraft is over selected ground stations, The flight experiment is a precursor to the more ambitious electrodynamic tether upper stage demonstration mission, which will be capable of orbit raising, lowering and inclination changes-all using electrodynamic thrust. An immediate application of ProSEDS technology is for the deorbit of spent satellites for orbital debris mitigation. In addition to the use of this technology to provide orbit transfer and debris mitigation it may also be an attractive option for future missions to Jupiter and any other planetary body with a magnetosphere.

Ballance, Judy↗
DOE OSTI2026

Pursuing Heteroleptic Ligand Design Principles for Photoactive Fe Complexes with Ultrafast X-ray Emission and Variable-Temperature Optical Spectroscopies

Understanding the key parameters that govern the photophysical and photochemical properties of transition metal complexes is essential for the development of efficient photosensitizers for photocatalytic applications. Achieving this objective necessitates clear and detailed investigations of their electronic excited states, for which time-resolved metal Kβ X-ray emission spectroscopy (XES) has proven highly effective. Here, we present a time-resolved Fe Kβ XES study of a heteroleptic Fe(II) polypyridyl carbene complex, [Fe(phen) 2 (C 4 H 10 N 4 )] 2+ (1; phen = 1,10-phenanthroline), utilizing both the valence-to-core and Kβ mainline spectral regions, complemented by variable-temperature transient optical absorption (VT-TA) spectroscopy. Detailed analysis of the time-resolved Kβ XES data, supported by density functional theory (DFT) calculations and an Eyring analysis of the VT-TA data, reveals parallel excited state relaxation dynamics that support an assignment of the long-lived excited state to a triplet metal-centered state. Placing these results in the context of prior studies of heteroleptic Fe(II) polypyridyl cyanide complexes motivated a series of DFT calculations to investigate the effects of ligand structural flexibility and arrangement. These calculations reinforce the experimentally derived conclusion that constraining structural flexibility with multidentate ligands significantly impacts the excited state relaxation dynamics. Furthermore, our study emphasizes that the arrangement of strong field ligands in heteroleptic complexes substantially affects the energy of Jahn–Teller active triplet metal-centered states in low-spin d 6 metal complexes. Together, these findings provide synthetic design principles for extending metal-to-ligand charge transfer excited state lifetimes of heteroleptic Fe complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Factors shaping the evolution of electronic documentation systems

The main goal is to prepare the space station technical and managerial structure for likely changes in the creation, capture, transfer, and utilization of knowledge. By anticipating advances, the design of Space Station Project (SSP) information systems can be tailored to facilitate a progression of increasingly sophisticated strategies as the space station evolves. Future generations of advanced information systems will use increases in power to deliver environmentally meaningful, contextually targeted, interconnected data (knowledge). The concept of a Knowledge Base Management System is emerging when the problem is focused on how information systems can perform such a conversion of raw data. Such a system would include traditional management functions for large space databases. Added artificial intelligence features might encompass co-existing knowledge representation schemes; effective control structures for deductive, plausible, and inductive reasoning; means for knowledge acquisition, refinement, and validation; explanation facilities; and dynamic human intervention. The major areas covered include: alternative knowledge representation approaches; advanced user interface capabilities; computer-supported cooperative work; the evolution of information system hardware; standardization, compatibility, and connectivity; and organizational impacts of information intensive environments.

Dede, Christopher J.↗
NASA NTRS1991

Composite load spectra for select space propulsion structural components

The work performed to develop composite load spectra (CLS) for the Space Shuttle Main Engine (SSME) using probabilistic methods. The three methods were implemented to be the engine system influence model. RASCAL was chosen to be the principal method as most component load models were implemented with the method. Validation of RASCAL was performed. High accuracy comparable to the Monte Carlo method can be obtained if a large enough bin size is used. Generic probabilistic models were developed and implemented for load calculations using the probabilistic methods discussed above. Each engine mission, either a real fighter or a test, has three mission phases: the engine start transient phase, the steady state phase, and the engine cut off transient phase. Power level and engine operating inlet conditions change during a mission. The load calculation module provides the steady-state and quasi-steady state calculation procedures with duty-cycle-data option. The quasi-steady state procedure is for engine transient phase calculations. In addition, a few generic probabilistic load models were also developed for specific conditions. These include the fixed transient spike model, the poison arrival transient spike model, and the rare event model. These generic probabilistic load models provide sufficient latitude for simulating loads with specific conditions. For SSME components, turbine blades, transfer ducts, LOX post, and the high pressure oxidizer turbopump (HPOTP) discharge duct were selected for application of the CLS program. They include static pressure loads and dynamic pressure loads for all four components, centrifugal force for the turbine blade, temperatures of thermal loads for all four components, and structural vibration loads for the ducts and LOX posts.

Newell, J. F.↗
NASA NTRS2019

Fully-polarimetric millimeter-wave spectrometers for measurement of Earth's magnetic field

Earth’s ionosphere responds dynamically over a wide range of temporal and spatial scales to changes in the magnetosphere and solar wind from above, and to neutral atmospheric dynamics from below. Determining the dynamics and coupling of Earth's magnetosphere, ionosphere, and atmosphere by vector magnetic field measurements at all altitudes is essential, as the field plays a major role in controlling the distribution of ionospheric plasma. It is difficult to measure the magnetic B-field, either locally or globally, at the altitudes of the upper mesosphere and lower thermosphere (UMLT) where the transfer of energy and momentum between the plasma and neutral components of the system occur. The 118-GHz imaging magnetometer will measure all four Stokes parameters as a function of frequency about the Zeeman-split center of the 118-GHz molecular oxygen line. We are developing an array of fully-polarimetric millimeterwave radiometer/spectrometers operating near 118 GHz. These low cost, low power, low mass polarimetric 118 GHz millimeter-wave array receivers do not require cooling to meet the sensitivity requirements. With digital spectrometers we will be able to integrate the complete end-to-end system. This work will enable a second generation small satellite mission with an off-nadir viewing instrument comprised of 120 such receivers (arranged so that each spot on the Earth is observed simultaneously by four receivers each) that will globally map the magnetic field in the mesosphere at 42-76 km altitude at a horizontal resolution ~100 km with 1-sigma error of 40-120 nT, in typical mesospheric temperature conditions.

Mannucci, Anthony↗
DOE OSTI2020

Progress Toward Simulating Departure from Nucleate Boiling at High-Pressure Applications with Selected Wall Boiling Closures

Recently, a Eulerian-based two-fluid computational fluid dynamics (CFD) framework with a wall heat flux partitioning approach has been intensively investigated for departure from nucleate boiling (DNB) simulation under the U.S. Department of Energy–funded Consortium for Advanced Simulation of Light Water Reactors (CASL) program. Understanding of the DNB characteristics over a range of pressurized water reactor–like operating conditions and accurate prediction of boiling crisis in the nuclear power system have been grand challenges because of the large impact of DNB on reactor safety and operational economics. The ultimate goal of this task in the CASL program is to introduce a robust multiphase CFD–based DNB modeling framework that is capable of characterizing an entire boiling history in which the wall boiling mode experiences the following through multiple stages of heat transfer mode: (1) single-phase convective heat transfer, (2) nucleate boiling heat transfer, and (3) identification of the departure of nucleate boiling. To validate the CASL boiling model, we have benchmarked simulated DNB over three different flow channel configurations (pipe flow, 5 × 5 fuel bundle with mixing vane tests, and 5 × 5 fuel bundle without mixing vane tests) against experimental measurements, and the validation result with open literature is reported. The DNB detection criteria in the simulation are checked by monitoring the peak wall temperature, wall dryout factor, and net energy balance. In addition to the DNB performance test, some preliminary sensitivity results on closure model selection are reported to address the prediction capability of local void profile against measurements. The boiling simulation tested in this study exhibits a maximum deviation of 24% from the measured DNB value in a high-pressure (i.e., 138 bars) subcooled pipe flow test. The ranges of operating conditions are as follows: 1650 to 2650 kg/m 2 ·s for mass flux and 8.5 to 96 K for subcooled inlet temperature. The deviation is even reduced to 7% when the subcooled temperature is less than 40 K. Besides accuracy, base practice guidelines for DNB detection criteria are tested by monitoring three simulation variables: (1) maximum wall temperature, (2) wall dryout factor (i.e., K-value), and (3) energy balance. Numerical robustness of DNB simulation is largely achieved in most of the validation test except for a few high subcooled test cases.

42 ENGINEERING↗
DOE OSTI2026

Atomistic Simulation of Glasses and Amorphous Materials: Challenges and Opportunities for the Next Decade

Atomistic simulations have become indispensable tools for understanding glass structure, dynamics, and properties, yet persistent challenges limit their predictive power. This perspective examines three interconnected issues, namely glass formation procedures, interatomic potential development, and machine learning applications, which emerged from the 5th International Workshop on Challenges of Atomistic Simulations of Glasses and Amorphous Materials. We identify convergent community priorities for (i) standardized validation protocols, (ii) curated benchmark datasets with complete metadata, and (iii) open repositories for glasses. A systematic was forward is provided by a hierarchical validation framework for assessing the structural fidelity, property prediction, and behavioral realism of simulation techniques. Looking ahead, transformative advances are promised by the fusion of classical techniques with machine learning based approaches, for instance, by integrating swap Monte Carlo with machine-learning (ML) potentials, leveraging foundation models through transfer learning, and finetuning ML potentials with experimental data. Progress depends on the community committing to validated models, reproducible protocols, and sustained data sharing.

Krishnan, N. M. Anoop↗