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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Acceleration of Thermochemistry Solves in MOOSE and Pronghorn

This work focuses on the development and implementation of strategies to accelerate thermochemical calculations within MOOSE-based multiphysics simulations, particularly for applications in MSRs. We highlight the inherent complexity of nuclear materials, which require a multiscale approach to accurately model their behavior across various physical domains, including mechanical, chemical, and thermal phenomena. Thermochemical equilibrium calculations are crucial for predicting material properties and enhancing the fidelity of these simulations. The integration of Thermochimica, a Gibbs energy minimizer, into MOOSE allows for the direct minimization of Gibbs energy at every point on the mesh. However, the computational cost of such integration is significant. To address this, we explored acceleration strategies such as multi-threading support and the use of a thermodynamic ValueCache to reduce redundant calculations. Additionally, we investigated modifications to Thermochimica to enable phase constraints and improve its coupling with phase-field models, which are essential for simulating microstructural evolution and corrosion in MSR. These efforts aim to optimize the computational efficiency and accuracy of multiphysics simulations, thereby supporting the development of reliable and efficient nuclear materials for next-generation reactor technologies.

36 - MATERIALS SCIENCE↗
NASA NTRS1971

Evaluation of acoustic testing techniques for spacecraft systems

External acoustic environments, structural responses, noise reductions, and the internal acoustic environments have been predicted for a typical shroud/spacecraft system during lift-off and various critical stages of flight. Spacecraft responses caused by energy transmission from the shroud via mechanical and acoustic paths have been compared and the importance of the mechanical path has been evaluated. Theoretical predictions have been compared extensively with available laboratory and in-flight measurements. Equivalent laboratory acoustic fields for simulation of shroud response during the various phases of flight have been derived and compared in detail. Techniques for varying the time-space correlations of laboratory acoustic fields have been examined, together with methods for varying the time and spatial distribution of acoustic amplitudes. Possible acoustic testing configurations for shroud/spacecraft systems have been suggested and trade-off considerations have been reviewed. The problem of simulating the acoustic environments versus simulating the structural responses has been considered and techniques for testing without the shroud installed have been discussed.

Cockburn, J. A.↗
DOE OSTI2024

Phase-field modeling of crack growth under coupled creep-fatigue

Crack growth under coupled creep-fatigue strongly influences service life of metallic components operating at high temperatures. However, there lack numerical models that enable direct simulations of crack growth and plasticity development under coupled creep-fatigue. Here, in this study, a unified phase-field model is developed for simulating crack growth under fatigue, creep, and coupled creep-fatigue. This model is able to reproduce the Paris laws for both brittle and ductile materials in pure fatigue mode, which shows that the degradation rate due to cyclic stress in ductile materials is generally larger than that in brittle materials. Fatigue simulations with different yield strengths demonstrate that plasticity facilitates crack growth in typical ductile materials. High-throughput simulations are performed under coupled creep-fatigue conditions, with varying hold-stress levels and hold-time. By analyzing crack growth rate under different hold-time, a creep-fatigue interaction term is obtained. Simulation results demonstrate that the creep-fatigue interaction is caused by smaller stress gradient and enhanced degradation rate ahead of the crack tips under coupled creep-fatigue, compared to the situation of pure fatigue. This work reveals the origin of different Paris-law exponents in brittle and ductile materials and demonstrates how the interplay between creep and fatigue affects crack growth.

36 MATERIALS SCIENCE↗
NASA NTRS2023

Breaking Wave Field Statistics With A Multi-Layer Model

The statistics of breaking wave fields are characterised within a novel multi-layer framework, which generalises the single-layer Saint-Venant system into a multi-layer and non-hydrostatic formulation of the Navier–Stokes equations. We simulate an ensemble of phase-resolved surface wave fields in physical space, where strong nonlinearities, including directional wave breaking and the subsequent highly rotational flow motion, are modelled, without surface overturning. We extract the kinematics of wave breaking by identifying breaking fronts and their speed, for freely evolving wave fields initialised with typical wind wave spectra. The Λ(c) distribution, defined as the length of breaking fronts (per unit area) moving with speed c to c + dc following Phillips (J. Fluid Mech., vol. 156, 1985, pp. 505–531), is reported for a broad range of conditions. We recover the Λ(c) ∝ c−6 scaling without wind forcing for sufficiently steep wave fields. A scaling of Λ(c) based solely on the root-mean-square slope and peak wave phase speed is shown to describe the modelled breaking distributions well. The modelled breaking distributions are in good agreement with field measurements and the proposed scaling can be applied successfully to the observational data sets. The present work paves the way for simulations of the turbulent upper ocean directly coupled to a realistic breaking wave dynamics, including Langmuir turbulence, and other sub-mesoscale processes.

Jiarong Wu↗
NASA NTRS1993

Models of Neptune's smooth recurrent radio emission

The quantitative response of the Planetary Radio Astronomy (PRA) instrument to a wave with polarization ellipse of arbitrary shape and orientation, arriving at the antennas from any direction, can be determined. This capability is used to model the time variation of intensity and circular polarization over a range of radio frequencies for proposed radio-source locations and emission characteristics at Neptune. At frequencies below 400 kHz the observed variation of intensity, polarization, and phase are closely simulated in an offset tilted dipole magnetic field by conjugate sources at midlatitude with filled emission cones. The phase of emission at higher frequencies is reproduced by sources at lower latitude. Modeled wide-cone emission does not reach the spacecraft at the observed phase nor have the polarization sense observed before closest approach. Source-surface maps of apparent polarization for the period before closest approach when instrumental response is especially sensitive to source location is presented. The method is capable of extension to more realistic models of the magnetic field.

Sawyer, Constance↗
DOE OSTI2021

Influence of Wetting on Viscous Fingering Via 2D Lattice Boltzmann Simulations

We present simulations of two-phase flow using the Rothman and Keller colour gradient Lattice Boltzmann method to study viscous fingering when a “red fluid” invades a porous model initially filled with a “blue” fluid with different viscosity. We conducted eleven suites of 81 numerical experiments totalling 891 simulations, where each suite had a different random realization of the porous model and spanned viscosity ratios in the range $$M\in [0.01,100]$$ M ϵ [ 0.01 , 100 ] and wetting angles in the range $$\theta _w\in [180^\circ ,0^\circ ]$$ θ w ϵ [ 180 ° , 0 ° ] to allow us to study the effect of these parameters on the fluid-displacement morphology and saturation at breakthrough (sweep). Although sweep often increased with wettability, this was not always so and the sweep phase space landscape, defined as the difference in saturation at a given wetting angle relative to saturation for the non-wetting case, had hills, ridges and valleys. At low viscosity ratios, flow at breakthrough is localized through narrow fingers that span the model. After breakthrough, the flow field continues to evolve and the saturation continues to increase albeit at a reduced rate, and eventually exceeds 90% for both non-wetting and wetting cases. The existence of a complicated sweep phase space at breakthrough, and continued post-breakthrough evolution suggests the hydrodynamics and sweep is a complicated function of wetting angle, viscosity ratio and time, which has major potential implications to Enhanced Oil Recovery by water flooding, and hence, on estimates of global oil reserves. Validation of these results via experiments is required to ensure they translate to field studies.

Engineering↗
DOE OSTI2022

Investigation of the Self-Assembly Behavior of Statistical Bottlebrush Copolymers via Self-Consistent Field Theory Simulations

Bottlebrush copolymers, a class of high-density side-chain-grafted copolymers with high molecular weights, have recently attracted extensive research attention due to the dramatic reduction of chain entanglement in these copolymers, unique self-assembly behaviors, and distinctive physical properties. In this study, we employ self-consistent field theory simulations to systemically investigate the phase behavior of statistical bottlebrush copolymers A-stat-B, an intriguing subclass of bottlebrush copolymers with random or alternating sequences of A and B side chains. We find that a broader variety of ordered mesophases can be stabilized in the melts of these copolymers relative to the more extensively studied bottlebrush block copolymers. In particular, we observe that these statistical copolymers can stabilize sphere phases over a larger range of species volume fractions than their diblock and tetrablock counterparts but require much higher segregation strength to achieve this. The sphere and hexagonally packed cylinder phases formed by conformationally symmetric statistical bottlebrush copolymers possess interesting discrete core–shell structures with the backbone and lower volume fraction side-chain species forming shells and cores, respectively. Moreover, we uncover a new strategy of stabilizing the Frank–Kasper phase A15 by introducing conformational asymmetry through different side-chain lengths and also observe deflection of order–order phase boundaries and significant mixing between the backbones and short side chains as conformational asymmetry is introduced.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Scaling laws for two-dimensional dendritic crystal growth in a narrow channel

Here, we investigate analytically and computationally the dynamics of two-dimensional needle crystal growth from the melt in a narrow channel. Our analytical theory predicts that, in the low supersaturation limit, the growth velocity $\textit{V}$ decreases in time $\textit{t}$ as a power law $V ~t^{–2/3}$, which we validate by phase-field and dendritic-needle-network simulations. Simulations further reveal that, above a critical channel width $Λ ≈ 5l_D$, where $l_D$ is the diffusion length, needle crystals grow with a constant $V < V_s$, where $V_s$ is the free-growth needle crystal velocity, and approaches $V_s$ in the limit $Λ \gg l_D$.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electric field control of chirality

Polar textures have attracted substantial attention in recent years as a promising analog to spin-based textures in ferromagnets. Here, using optical second-harmonic generation–based circular dichroism, we demonstrate deterministic and reversible control of chirality over mesoscale regions in ferroelectric vortices using an applied electric field. The microscopic origins of the chirality, the pathway during the switching, and the mechanism for electric field control are described theoretically via phase-field modeling and second-principles simulations, and experimentally by examination of the microscopic response of the vortices under an applied field. The emergence of chirality from the combination of nonchiral materials and subsequent control of the handedness with an electric field has far-reaching implications for new electronics based on chirality as a field-controllable order parameter.

36 MATERIALS SCIENCE↗
DOE OSTI2023

On formulations for modeling pressurized cracks within phase-field methods for fracture

Over the past few decades, the phase-field method for fracture has seen widespread appeal due to the many benefits associated with its ability to regularize a sharp crack geometry. Along the way, several different models for including the effects of pressure loads on the crack faces have been developed. Further, this work investigates the performance of these models and compares them to a relatively new formulation for incorporating crack-face pressure loads. It is shown how the new formulation can be obtained either by modifying the trial space in the traditional variational principle or by postulating a new functional that is dependent on the rates of the primary variables. The key differences between the new formulation and existing models for pressurized cracks in a phase-field setting are highlighted. Model-based simulations developed with discretized versions of the new formulation and existing models are then used to illustrate the advantages and differences. In order to analyze the results, a domain form of the J-integral is developed for diffuse cracks subjected to pressure loads. Results are presented for a one-dimensional cohesive crack, steady crack growth, and crack nucleation from a pressurized enclosure.

42 ENGINEERING↗
DOE OSTI2024

Focused Ion Beam Tomography of Alloy 617 Corroded in Molten Chloride Salt

Materials qualification of reactor structural materials is a critical step in rapid implementation of advanced nuclear reactor technologies, particularly to assess the corrosion performance in these designs. Accelerated qualification of reactor structural materials requires incorporating powerful computational toolsets, such as phase field modelling in the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, to predict the evolution of structural materials due to corrosion. Accordingly, computational toolsets will require experimental data generated at appropriate length scales to validate accuracy. Focused ion beam (FIB) provides a high degree of control over manipulation of materials for analytical purposes, including capturing data on the evolution in the microstructure and elemental composition of materials at the mesoscale, an appropriate length scale for phase field modelling of intergranular diffusion phenomena using the MOOSE framework. For instance, the FEI Helios G4 UX dual beam plasma FIB microscope at the Irradiated Materials Characterization Laboratory (IMCL) is capable of backscatter diffraction (EBSD) and energy-dispersive x-ray spectroscopy (EDS) documenting the evolution in the microstructure and elemental composition, respectively. The Helios can perform EDS and EBSD three-dimensionally (3D) using tomography, which is then combined using different software packages to visualize 3D volumes correlating elemental composition to microstructural data. The purpose of this investigation was to develop a streamlined characterization and data processing workflow for 3D tomography studies on the FEI Helios G4 plasma FIB. The investigation is segmented into three parts: 1) Optimizing the data collection workflow, 2) identifying appropriate data processing and visualization software (i.e. DREAM.3D, MIPAR, and VGStudioMax), and 3) establishing an infrastructure for public release. The optimization of the data collection workflow is in collaboration with members of the U220 department to setup formal training on the tomography operation of the G4, through ThermoFisher Scientific, and exploring DREAM.3D, MIPAR, and VGStudioMax data processing/visualization software packages. VGStudioMax currently demonstrates the most promise for future use. Optimization of the data collection and processing workflow is still ongoing. A collaboration with INL High Performance Computing (HPC) established an open-source license for expediting the public release of FIB tomography datasets through HPC. FIB tomography data generated by the G4 will provide comprehensive data for validating 3D phase field mesoscale modelling tools within the MOOSE framework for accelerated qualification of reactor structural materials.

Copeland-Johnson, Trishelle↗
DOE OSTI2022

Magnetic field dependent thermodynamic properties of square and quadrupolar artificial spin ice

Applied magnetic fields are an important tuning parameter for artificial spin ice (ASI) systems, as they can drive phase transitions between different magnetic ground states or tune through regimes with high populations of emergent magnetic excitations (e.g., monopole-like quasiparticles). Here, using simulations supported by experiments, we investigate the thermodynamic properties and magnetic phases of square and quadrupolar ASI as a function of applied in-plane magnetic fields. Monte Carlo simulations are used to generate field-dependent maps of the magnetization, the magnetic specific heat, the thermodynamic magnetization fluctuations, and the magnetic order parameters, all under equilibrium conditions. These maps reveal the diversity of magnetic orderings and the phase transitions that occur in different regions of the phase diagrams of these ASIs, and are experimentally supported by magnetooptical measurements of the equilibrium “magnetization noise” in thermally active ASIs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1997

Mars Global Surveyor: Aerobraking and Observations Support Using a Mars Global Circulation Model

This is a Final Report for a Joint Research Interchange (JRI) between NASA Ames Research Center and San Jose State University, Department of Meteorology. Using a global atmospheric circulation model for Mars, the focus of this JRI has been to provide support for the Mars Global Surveyor (MGS) spacecraft aerobraking activities and interpretation guidance of preliminary observations. The primary atmospheric model applied in this investigation has been a high-top version of the NASA Ames Mars general circulation model (MGCM). Comparisons with an atmospheric model designed primarily for engineering purposes (Mars-GRAM) has also been carried out. From a suite of MGCM simulations, we have assessed plausible spatial and temporal variability in atmospheric density at high altitudes (e.g., 70-110 km) for seasonal dates and locations during Phase I aerobraking. Diagnostic tools have been developed to analyze circulation fields from the MGCM simulations, and these tools have been applied in the creation of a Mars climate catalogue database. Throughout Phase I aerobraking activities, analysis products have been provided to the MGS aerobraking atmospheric advisory group (AAG). Analyses of circulation variability at the coupling level between the MGCM and a Mars thermospheric global circulation model (MTGCM) has also been assessed. Finally, using a quasi-geostrophic dynamical formulation with the MGCM simulations, diagnosis of breaking planetary (Rossby) waves in Mars' middle atmosphere has been carried out. Titles of papers presented at scientific workshops and seminars, and a publication in the scientific literature are provided.

Hollingsworth, Jeffery L.↗
NASA NTRS1997

Mars Global Surveyor: Aerobraking and Observations Support Using a Mars Global Circulation Model

This is a Final Report for a Joint Research Interchange (JRI) between NASA Ames Research Center and San Jose State University, Department of Meteorology. Using a global atmospheric circulation model for Mars, the focus of this JRI has been to provide support for the Mars Global Surveyor (MGS) spacecraft aerobraking activities and interpretation guidance of preliminary observations. ne primary atmospheric model applied in this investigation has been a high-top version of the NASA Ames Mars general circulation model (MGCM). Comparisons with an atmospheric model designed primarily for engineering purposes (Mars-GRAM) has also been carried out. From a suite of MGCM simulations, we have assessed plausible spatial and temporal variability in atmospheric density at high altitudes (e.g., 70-110 km) for seasonal dates and locations during Phase 1 aerobraking. Diagnostic tools have been developed to analyze circulation fields from the MGCM simulations, and these tools have been applied in the creation of a Mars climate catalogue database. Throughout Phase 1 aerobraking activities, analysis products have been provided to the MGS aerobraking atmospheric advisory group (AAG). Analyses of circulation variability at the coupling level between the MGCM and a Mars thermospheric global circulation model (MTGCM) has also been assessed. Finally, using a quasi-geostrophic dynamical formulation with the MGCM simulations, diagnosis of breaking planetary (Rossby) waves in Mars' middle atmosphere has been carried out. Titles of papers presented at scientific workshops and seminars, and a publication in the scientific literature are provided.

Hollingsworth, Jeffery L.↗
NASA NTRS1997

Mars Global Surveyor: Aerobraking and Observations Support Using a Mars Global Circulation Model

This is a Final Report for a Joint Research Interchange (JRI) between NASA Ames Research Center and San Jose State University, Department of Meteorology. Using a global atmospheric circulation model for Mars, the focus of this JRI has been to provide support for the Mars Global Surveyor (MGS) spacecraft aerobraking activities and interpretation guidance of preliminary observations. The primary atmospheric model applied in this investigation has been a high-top version of the NASA Ames Mars general circulation model (MGCM). Comparisons with an atmospheric model designed primarily for engineering purposes (Mars-GRAM) has also been carried out. From a suite of MGCM simulations, we have assessed plausible spatial and temporal variability in atmospheric density at high altitudes (e.g., 70-1 10 km) for seasonal dates and locations during Phase 1 aerobraking. Diagnostic tools have been developed to analyze circulation fields from the MGCM simulations, and these tools have been applied in the creation of a Mars climate catalogue database. Throughout Phase I aerobraking activities, analysis products have been provided to the MGS aerobraking atmospheric advisory group (AAG). Analyses of circulation variability at the coupling level between the MGCM and a Mars thermospheric global circulation model (MTGCM) has also been assessed. Finally, using a quasi-geostrophic dynamical formulation with the MGCM simulations, diagnosis of breaking planetary (Rossby) waves in Mars middle atmosphere has been carried out. Titles of papers presented at scientific workshops and seminars, and a publication in the scientific literature are provided.

Hollingsworth, Jeffery L.↗
DOE OSTI2024

Generation of shear flows induced by AE / EPM in LHD plasma

The generation of shear flows (SFs) by Alfven Eigenmodes (AEs) and energetic particle modes (EPMs) have important effects on the operation of future nuclear fusion reactors, because SFs regulate the saturation of the AEs/EPMs, the transport of EPs and thermal plasma, as well as the formation of transport barriers among other consequences. The aim of this study is the analysis of SFs generation during the saturation phase of AEs and EPMs in LHD plasma. Experiments performed in the 23rd and 24th LHD experimental campaigns are dedicated to explore the destabilization of AEs/EPMs in discharges with different heating patterns, thermal plasma and magnetic field configurations. In particular, the shots 176490 and 179697 show the destabilization of MHD bursts and energetic-ion-driven resistive interchange modes (EIC), respectively. Charge exchange spectroscopy measurements in both discharges indicate that the generation of SFs by AE/EPM is uncorrelated with the perturbation induced by the neutral beam injector (NBI). Nonlinear simulations performed using the gyro-fluid code FAR3d show the generation of zonal structures, especially SFs, induced during the saturation phase of Toroidal Alfven Eigenmodes (TAEs) triggered in the MHD burst as well as by the 1/1 EIC in the bursting phase. The simulations indicate that SFs are caused by the radial electric fields powered by energy transfers from the unstable AE/EPM towards the thermal plasma. The strongest SFs are measured during the EIC bursting phase once the 1/1 EPM overlaps with nearby resonances at the plasma periphery. Likewise, the largest SFs during the MHD burst are observed once TAEs radially overlap in the inner-middle plasma region.

AE↗