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DOE OSTI2023

Molten Salt Reactor Experiment Simulation using Shift/Griffin

The Department of Energy (DOE)’s NEAMS focuses its efforts on the development of advanced modeling and simulation (M&S) tools for light-water reactors (LWRs) and non–LWRs (i.e., molten salt reactors, high-temperature gas reactors, microreactors, and fast reactors). In the previous fiscal year, the Multiphysics Applications Driver Technical Area funded molten salt reactor (MSR) M&S at Oak Ridge National Laboratory (ORNL) to generate multigroup macroscopic cross sections with Shift for a MSRE 2D lattice model in Griffin. In addition, Shift’s capability to calculate gamma dose rates from activated components in the primary exchangers in a molten salt breeder reactor was also demonstrated. In fiscal year 2023, ORNL generated multigroup macroscopic cross sections using Shift for a 3D MSRE core model. MSRE depletion calculations using Griffin were also demonstrated in this fiscal year. For the depletion calculation, one-group microscopic cross sections for the 3D MSRE core were generated using Shift, and the decay transmutation library from ORIGEN was converted to an ISOXML file, which is required as input in Griffin. Several Monte Carlo codes, such as OpenMC and Serpent, were also used to benchmark and supplement multigroup cross sections generated by Shift. Multigroup libraries were generated with 8 and 20 group structures, and the study found the 8-group structure to be more accurate when comparing Griffin results to continuous energy (CE) Monte Carlo results. The average flux from CE Shift calculations is up to ~6% higher than the CE Serpent calculations because of different values applied for the energy released per fission (κ values). The average flux in the fuel salt calculated by Griffin using cross sections generated with Shift agrees well with the reference CE Shift solution; the same is valid for the corresponding Serpent results. The maximum relative error is ~6% and ~2% compared to the CE Shift and Serpent reference solutions, respectively. Meanwhile, the average flux calculated by Griffin in the graphite moderator shows a higher difference in the thermal range when compared to both reference Monte Carlo solutions; this result suggests a need for improvement in cross section generation for the graphite moderator in the thermal range in both Monte Carlo codes. Griffin depletion calculations using cross sections from Shift and Serpent were performed and compared against ORIGEN calculations, and the nuclide densities calculated by Griffin were found to be generally in agreement with those of ORIGEN. Because a different approach was taken to calculate the energy released per fission ( κ values) in Shift and Serpent, a difference in nuclide densities from differences in the average flux was observed between Griffin using Serpent and Shift cross sections. Griffin calculations with Shift cross sections produced higher average flux in the salt than with Serpent cross sections, leading to higher consumption of 235 U and higher production of 135 Xe. For time-dependent depletion calculations, cross sections were generated with Serpent, and Griffin’s results using these cross sections were compared to CE Serpent depletion results, demonstrating good agreement. The average difference in keff between Serpent and Griffin as a function of burnup is about 155 pcm. Similarly, good agreement with small differences up to ~0.5% was also noticed in the nuclide density of 235 U and 135 Xe. More details regarding the methodologies invoked to generate the cross section to make code-to-code comparisons are discussed further in this report. User feedback on Griffin and Shift capabilities that will enhance these calculations is provided in this report for future consideration. The work performed this fiscal year can be extended further for multiphysics coupling of Griffin-Pronghorn/SAM with Mole to study precursor flow and salt chemistry.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS2012

The Mobile Chamber

A document discusses a simulation chamber that represents a shift from the thermal-vacuum chamber stereotype. This innovation, currently in development, combines the capabilities of space simulation chambers, the user-friendliness of modern-day electronics, and the modularity of plug-and-play computing. The Mobile Chamber is a customized test chamber that can be deployed with great ease, and is capable of bringing payloads at temperatures down to 20 K, in high vacuum, and with the desired metrology instruments integrated to the systems control. Flexure plans to lease Mobile Chambers, making them affordable for smaller budgets and available to a larger customer base. A key feature of this design will be an Apple iPad-like user interface that allows someone with minimal training to control the environment inside the chamber, and to simulate the required extreme environments. The feedback of thermal, pressure, and other measurements is delivered in a 3D CAD model of the chamber's payload and support hardware. This GUI will provide the user with a better understanding of the payload than any existing thermal-vacuum system.

Scharfstein, Gregory↗

DOE OSTI2020

Real Time 3D Observations of Portland Cement Carbonation at CO2 Storage Conditions

Depleted oil reservoirs are considered a viable solution to the global challenge of CO 2 storage. A key concern is whether the wells can be suitably sealed with cement to hinder the escape of CO 2 . Under reservoir conditions, CO 2 is in its supercritical state, and the high pressures and temperatures involved make real-time microscopic observations of cement degradation experimentally challenging. Here, we present an in situ 3D dynamic X-ray micro computed tomography (μ-CT) study of well cement carbonation at realistic reservoir stress, pore-pressure, and temperature conditions. The high-resolution time-lapse 3D images allow monitoring the progress of reaction fronts in Portland cement, including density changes, sample deformation, and mineral precipitation and dissolution. By switching between flow and nonflow conditions of CO 2 -saturated water through cement, we were able to delineate regimes dominated by calcium carbonate precipitation and dissolution. For the first time, we demonstrate experimentally the impact of the flow history on CO 2 leakage risk for cement plugging. In-situ μ-CT experiments combined with geochemical modeling provide unique insight into the interactions between CO 2 and cement, potentially helping in assessing the risks of CO 2 storage in geological reservoirs.

58 GEOSCIENCES↗

DOE OSTI2022

Static and dynamic magnetic properties of the spiin-$\frac{5}{2}$triangle lattice antiferromagnet Na 3 Fe(PO 4 ) 2 studied by 31 P NMR

We report 31 P nuclear magnetic resonance (NMR) measurements have been carried out to investigate the magnetic properties and spin dynamics of Fe 3+ (S = 5/2) spins in the two-dimensional triangular lattice (TL) compound Na 3 Fe(PO 4 ) 2 . The temperature (T) dependence of nuclear spin-lattice relaxation rates (1/T 1 ) shows a clear peak around Néel temperature, T N = 10.9 K, corresponding to an antiferromagnetic (AFM) transition. From the temperature dependence of NMR shift (K) above T N , an exchange coupling between Fe 3+ spins was estimated to be J/k B ≃ 1.9 K using the spin-5/2 Heisenberg isotropic-TL model. The temperature dependence of 1/T 1 T divided by the magnetic susceptibility (χ), 1/T 1 T χ , above T N proves the AFM nature of spin fluctuations below ~50 K in the paramagnetic state. In the magnetically ordered state below T N , the characteristic rectangular shape of the NMR spectra is observed, indicative of a commensurate AFM state in its ground state. The strong temperature dependence of 1/T 1 in the AFM state is well explained by the two-magnon (Raman) process of the spin waves in a 3D antiferromagnet with a spin-anisotropy energy gap of 5.7 K. The temperature dependence of sublattice magnetization is also well reproduced by the spin waves. Those results indicate that the magnetically ordered state of Na 3 Fe(PO 4 ) 2 is a conventional 3D AFM state, and no obvious spin frustration effects were detected in its ground state

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2009

The Impact of the Assimilation of AIRS Radiance Measurements on Short-term Weather Forecasts

Advanced spaceborne instruments have the ability to improve the horizontal and vertical characterization of temperature and water vapor in the atmosphere through the explicit use of hyperspectral thermal infrared radiance measurements. The incorporation of these measurements into a data assimilation system provides a means to continuously characterize a three-dimensional, instantaneous atmospheric state necessary for the time integration of numerical weather forecasts. Measurements from the National Aeronautics and Space Administration (NASA) Atmospheric Infrared Sounder (AIRS) are incorporated into the gridpoint statistical interpolation (GSI) three-dimensional variational (3D-Var) assimilation system to provide improved initial conditions for use in a mesoscale modeling framework mimicking that of the operational North American Mesoscale (NAM) model. The methodologies for the incorporation of the measurements into the system are presented. Though the measurements have been shown to have a positive impact in global modeling systems, the measurements are further constrained in this system as the model top is physically lower than the global systems and there is no ozone characterization in the background state. For a study period, the measurements are shown to have positive impact on both the analysis state as well as subsequently spawned short-term (0-48 hr) forecasts, particularly in forecasted geopotential height and precipitation fields. At 48 hr, height anomaly correlations showed an improvement in forecast skill of 2.3 hours relative to a system without the AIRS measurements. Similarly, the equitable threat and bias scores of precipitation forecasts of 25 mm (6 hr)-1 were shown to be improved by 8% and 7%, respectively.

McCarty, Will↗

DOE OSTI2024

Thermochemical Nonequilibrium Modeling in a Continuous-Galerkin, Finite-Element Framework

The presented work discusses the implementation, verification, and validation of Park's two-temperature model in a scalable, computational fluid dynamics (CFD) code developed at the US Department of Energy's Oak Ridge National Laboratory (ORNL). The implementation of Park's two-temperature model was verified through 0D test cases involving an adiabatic reactor and a nitrogen thermal bath. The implementation was then validated through comparisons with other validated CFD codes and experimental data on a hypersonic cylinder and double cones. These are standard benchmark test cases for thermochemical non-equilibrium (TCNE) modeling, and all data are shared publicly. The verification and validation results showed that ORNL's in-house CFD code could model complex, high-speed flow problems with and without TCNE modeling. This work is essential for future research involving 3D shock wave/boundary layer interactions (SBLIs).

Nutter, Nicole↗

DOE OSTI2020

Adaptive Machine Learning for Bragg Coherent Diffraction Imaging (BCDI) of 3D Electron Density Maps with Application to La 2-x Ba x CuO 4 (LBCO) High Temperature Superconductor Studies [PowerPoint]

Understanding mesoscale heterogeneity is important for evaluating fatigue and failure of structural materials and for manufacturing processes. Data-driven tools can facilitate in guiding effort investment (measurements and computations) at various stages of the materials development. Our 3D reconstruction approach is to find a set of coefficients which define a bounding surface of the electron density. Data for training the 3D CNN was generated by sampling coefficients from uniform distributions. Test vs. prediction values are shown for the 28 even-valued coefficients for 1000 test structures, with the best and worst performers highlighted. The adaptive part of this work utilized a model independent extremum seeking (ES). The predictions of the CNN were used as the starting point for the ES algorithm. The convergence of the ES algorithm for 3 different structures is illustrated, and the robustness of the adaptive ML approach was demonstrated on experimentally measured 3D crystal from high energy diffraction microscopy. Reconstruction of a non-uniform density volume with different levels of Poisson noise is also shown. Preliminary attempts at reconstructing measured La 2-x Ba x CuO 4 diffraction patterns have so far failed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

New heat flux model for non-axisymmetric divertor infrared structures

A convective heat flux model for perturbed plasmas, based on guiding center ion drift in vacuum elds (A. Wingen, et al., Phys. Plasmas 21 (2014) 012509), has been updated. The old model only considered ion heat flux, while here also electron heat flux is included. The updated model predicts divertor heat flux distributions in non-axisymmetric (3D) plasmas with applied Resonant Magnetic Perturbation (RMP) fields, and includes electric scalar potentials. It is found that a radial electric field in the near Scrape-o Layer (SOL) can considerably shift the footprints toroidally, leading to a smearing out eff ect of the incident heat flux, while a simple model for sheath potential has little impact on footprints. Various approaches to model electron heat flux are studied. A convective electron model, based on collisionless free streaming, is found to yield the best agreement with measurements, while a conductive model requires a at temperature gradient inside lobes to yield acceptable peak heat ux values. A heuristic heat flux layer approach, based on a fixed layer width also requires a limited heat flux inside the last closed flux surface (LCFS); by selecting various locations of the LCFS, the results of the conductive or convective model can be recovered respectively. The sum of ion and electron heat fluxes, both obtained by the convective model, is compared to experimental data for multiple time slices in DIII-D. Strike point splitting is observed with peak heat fluxes and layer widths that compare well to infrared camera (IR) measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Heuristic predictions of RMP configurations for ELM suppression in ITER burning plasmas and their impact on divertor performance

Abstract A subspace of resonant magnetic perturbation (RMP) configurations for edge localized mode (ELM) suppression is predicted for H-mode burning plasmas at 15 MA current and 5.3 T magnetic field in ITER. Perturbations to the core plasma can be reduced by a factor of 2 for equivalent edge stability proxies, while the perturbed plasma boundary geometry remains mostly resilient. The striated domain of perturbed field lines connecting from the main plasma (normalized poloidal flux < 1 ) to the divertor targets is found to be significantly larger than the expected heat load width in the absence of RMPs. This facilitates heat load spreading with peak values at an acceptable level below 10 MW m − 2 on the outer target already at moderate gas fueling and low Ne seeding for additional radiative dissipation of the 100 MW of power into the scrape-off layer (SOL). On the inner target, however, re-attachment is predicted away from the equilibrium strike point due to increased upstream heat flux, higher downstream temperature and less efficient impurity radiation.

3D plasma boundary modeling↗

NASA NTRS1991

Application of program LAURA to thermochemical nonequilibrium flow through a nozzle

Program LAURA (Langley Aerothermodynamic Upwind Relaxation Algorithm) is an upwind-biased, point-implicit relaxation algorithm for obtaining the numerical solution to the governing equations for 3D viscous hypersonic flows in chemical and thermal nonequilibrium. The algorithm is derived using a finite-volume formulation in which the inviscid components of flux across cell walls are described with a modified Roe's averaging and with second-order corrections based on Yee's Symmetric Total Variation Diminishing scheme. The code has been applied to Problem 8.2 of this workshop for the case of thermochemical nonequilibrium flow through a nozzle. Chemical reaction rates are defined with the model of Park (1987). Thermal nonequilibrium is modeled using a two-temperature approximation in which the vibrational energies of all molecules are assumed to be in equilibrium at a single temperature which is generally different from the translational-rotational temperature. Two grids were used to define the flow for the original problem, with a stagnation temperature of 6500 K. A third case with a stagnation temperature of 10,000 K is also presented. The solution domain includes the converging nozzle, subsonic flow domain in which the gas is substantially in thermochemical equilibrium and the diverging nozzle, hypersonic flow domain in which the gas is substantially in thermochemical nonequilibrium.

Gnoffo, Peter A.↗

NASA NTRSDate not supplied

Large-Drop Ice Accretion Test Results for a Large Scale Swept Wing Model

In-flight icing is an important consideration that affects aircraft design, performance and safety. Newer regulations combined with increasing demand to reduce fuel burn, emissions and noise are driving a need for improvements in icing simulation capability. To that end, this paper presents the results of ice accretion testing conducted in the NASA Icing Research Tunnel on a large swept wing section typical of a modern commercial transport. The model was based upon a section of the Common Research Model wing at the 64% semispan station with a streamwise chord length of 136 in. The test conditions were developed with an icing scaling analysis to generate similar conditions for a small MVD = 25 μm and a large MVD = 110 μm. A series of tests were conducted over a range of total temperature from -23.8 ˚C to -1.4 ˚C with all other conditions held constant. The results for the small MVD cloud conditions were consistent with previous work and showed the changing ice morphology from rime ice at colder temperatures to highly 3D scallop ice in the range of -8.7 ˚C to -3.8 ˚C. The results for the large MVD cloud conditions exhibited some differences in the ice accretion morphology from the small MVD conditions. Scallop-like ice features were observed at total temperature of -3.8˚C. The large MVD ice accretion at lower temperatures tended to be smoother than the corresponding ice accretion for small MVD. The thickness of the main ice shape tended to be larger for the small MVD conditions compared to the corresponding large MVD ice shape while the latter had more ice farther downstream. The measured ice mass was approximately equal between the corresponding small and large MVD ice shapes up to a freezing fraction of 0.6. For higher freezing fraction, the large MVD ice shapes weighed more. Cloud MVD variation from 50 μm to 230 μm while holding the scaling parameters constant resulted in very minor differences in the ice shapes, mostly in the upper and lower surface chordwise extents. Ice volume was computed from 3D scan data and used to calculate a ratio of ice mass to volume. The resulting values were in the range of 240 to 455 Kg/m3. While this is consistent with analogous values previously reported in the literature, more data are needed to determine a specific trend in this ratio as a function of freezing fraction and the corresponding governing physical phenomena. This work has resulted in a significant experimental database of ice accretion for small and large MVD conditions applicable to large-scale swept wings.

Icing↗

NASA NTRSDate not supplied

Large-Drop Ice Accretion Test Results for a Large Scale Swept Wing Section

In-flight icing is an important consideration that affects aircraft design, performance and safety. Newer regulations combined with increasing demand to reduce fuel burn, emissions and noise are driving a need for improvements in icing simulation capability. To that end, this paper presents the results of ice accretion testing conducted in the NASA Icing Research Tunnel on a large swept wing typical of a modern commercial transport. The model was based upon a section of the Common Research Model wing at the 64% semispan station with a streamwise chord length of 136 in. The test conditions were developed with an icing scaling analysis to generate similar conditions for a small MVD = 25 μm and a large MVD = 110 μm. A series of tests were conducted over a range of total temperature from -23.8 ˚C to -1.4 ˚C with all other conditions held constant. The results for the small MVD cloud conditions were consistent with previous work and showed the changing ice morphology from rime ice at colder temperatures to highly 3D scallop ice in the range of -8.7 ˚C to -3.8 ˚C. The results for the large MVD cloud conditions exhibited some differences in the ice accretion morphology. Scallop-like ice features were observed at total temperature of -3.8˚C. The large MVD ice accretion at lower temperatures tended to be smoother than the corresponding ice accretion for small MVD. The thickness of the main ice shape tended to be larger for the small MVD conditions compared to the corresponding large MVD ice shape while the latter had more ice farther downstream. The measured ice mass was approximately equal between the corresponding small and large MVD ice shapes up to a freezing fraction of 0.6. For higher freezing fraction, the large MVD ice shapes weighed more. Cloud MVD variation from 50 μm to 230 μm while holding the scaling parameters constant resulted in very minor differences in the ice shapes, mostly in the upper and lower surface chordwise extents. Ice volume was computed from 3D scan data and used to calculate a ratio of ice mass to volume. The resulting values were in the range of 240 to 455 Kg/m3. While this is consistent with analogous values previously reported in the literature, more data are needed to determine a specific trend in this ratio as a function of freezing fraction and the corresponding governing physical phenomena. This work has resulted in a significant experimental database of ice accretion for small and large MVD conditions applicable to large-scale swept wings.

Icing↗

NASA NTRS2017

3D Material Response Analysis of PICA Pyrolysis Experiments

Primarily interested in improving ablation modeling for use in inverse reconstruction of flight environments on ablative heat shields. Ablation model is essentially a component of the heat flux sensor, so model uncertainties lead to measurement uncertainties. Non-equilibrium processes have been known to be significant in low density ablators for a long time, but increased accuracy requirements of the reconstruction process necessitates incorporating this physical effect. Attempting to develop a pyrolysis model for implementation in material response based on the PICA data produced by Bessire and Minton. Pyrolysis gas species molar yields as a function of temperature and heating rate. Several problems encountered while trying to fit Arrhenius models to the data led to further investigation of the experimental setup.

Oliver, Brandon A.↗

NASA NTRS2008

MISR Instrument Data Visualization

The MISR Interactive eXplorer (MINX) software functions both as a general-purpose tool to visualize Multiangle Imaging SpectroRadiometer (MISR) instrument data, and as a specialized tool to analyze properties of smoke, dust, and volcanic plumes. It includes high-level options to create map views of MISR orbit locations; scrollable, single-camera RGB (red-greenblue) images of MISR level 1B2 (L1B2) radiance data; and animations of the nine MISR camera images that provide a 3D perspective of the scenes that MISR has acquired. NASA Tech Briefs, September 2008 55 The plume height capability provides an accurate estimate of the injection height of plumes that is needed by air quality and climate modelers. MISR provides global high-quality stereo height information, and this program uses that information to perform detailed height retrievals of aerosol plumes. Users can interactively digitize smoke, dust, or volcanic plumes and automatically retrieve heights and winds, and can also archive MISR albedos and aerosol properties, as well as fire power and brightness temperatures associated with smoke plumes derived from Moderate Resolution Imaging Spectroradiometer (MODIS) data. Some of the specialized options in MINX enable the user to do other tasks. Users can display plots of top-of-atmosphere bidirectional reflectance factors (BRFs) versus camera-angle for selected pixels. Images and animations can be saved to disk in various formats. Also, users can apply a geometric registration correction to warp camera images when the standard processing correction is inadequate. It is possible to difference the images of two MISR orbits that share a path (identical ground track), as well as to construct pseudo-color images by assigning different combinations of MISR channels (angle or spectral band) to the RGB display channels. This software is an interactive application written in IDL and compiled into an IDL Virtual Machine (VM) ".sav" file.

Nelson, David↗

NASA NTRS1985

3D inelastic analysis methods for hot section components

The objective is to develop analytical tools capable of economically evaluating the cyclic time dependent plasticity which occurs in hot section engine components in areas of strain concentration resulting from the combination of both mechanical and thermal stresses. Three models were developed. A simple model performs time dependent inelastic analysis using the power law creep equation. The second model is the classical model of Professors Walter Haisler and David Allen of Texas A and M University. The third model is the unified model of Bodner, Partom, et al. All models were customized for linear variation of loads and temperatures with all material properties and constitutive models being temperature dependent.

Dame, L. T.↗

DOE OSTI2025

Adhesion of Self-Complementary, Sinusoidal Surfaces Fabricated Using Two-Photon Polymerization

Microscale, pick-and-place assembly is a non-lithographic assembly method poised to impact diverse fields including flexible electronics, microfluidics and robotics. However, a major technological challenge is the need to deterministically control adhesion between parts. Here, switchable adhesion involving 3D-printed, self-complementary surfaces is demonstrated. Mechanical properties of metasurfaces pressed against flat, rigid substrates are modeled using finite element methods. A series of flat slabs and metastructured slabs with 2D sinusoidal surfaces are printed using two-photon polymerization (2PP) of a shape-memory resin. The surface frequency of featured slabs was varied between $3.\bar3$ mm −1 and $26.\bar6$ mm −1 with similar amplitudes. Adhesion between printed metasurfaces and glass and between printed, self-complementary metasurfaces is studied above and below the cured resin’s glass transition temperature (∼45 °C). Simple heating of adhering surfaces to above 60 °C lowers adhesion, and compression of surfaces while above the glass transition temperature followed by cooling to room temperature elevates adhesion. The nominal adhesive strength between printed, self-complementary surfaces, as determined by the maximum observable pull-off stress, exceeds 3 MPa. Further tailoring complementary surfaces for adhesion control may facilitate microscale disassembly for recovery of components or precious metals.

amorphous materials↗

DOE OSTI2024

Classical dynamics of the antiferromagnetic Heisenberg spin ladder

We employ a classical limit grounded in SU(4) coherent states to investigate the temperature-dependent dynamical spin structure factor of the S = 1/2 ladder consisting of weakly coupled dimers. By comparing the outcomes of this classical approximation with density matrix renormalization group and exact diagonalization calculations in finite size ladders, we demonstrate that the classical dynamics offers an accurate approximation across the entire temperature range when the interdimer coupling is weak and a good approximation in the high temperature regime even when the interdimer coupling is strong. This agreement is achieved after appropriately rescaling the temperature axis and renormalizing expectation values to satisfy a quantum sum rule. Here, we anticipate the method will be particularly effective when applied to 2D and 3D lattices composed of weakly-coupled dimers, situations that remain challenging for alternative numerical methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1990

Aircraft observations and cloud-microwave radiative model simulations of a deep convective system

A 3D cloud model is used to simulate the storm structure of the June 29, 1986 storm system observed during the Cooperative Huntsville Meteorological Experiment (Dodge et al., 1986), and the results are linked to a microwave radiative transfer model for simulating aircraft observations. The results of cloud and radiative model simulations are then compared with radar data and aircraft microwave observations, respectively. It is shown that the degree of agreement between model simulations and the aircraft microwave observations depends on the model-derived microphysics of cloud and precipitation. It is found that the calculated values of the brightness temperature (Tb) at 92 GHz are close to the observed temperatures, while the calculated Tb values at 18 and 37 GHz are lower than the observed Tb.

Yeh, H.-Y. M.↗