Simulations of Asymmetric Membranes Illustrate Cooperative Leaflet Coupling and Lipid Adaptability
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59 BASIC BIOLOGICAL SCIENCES↗
SEARCH · Engineering Papers
Results for “Coupled Simulation”
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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Capturing the run-in of a pebble-bed reactor by using thermal feedback and high-fidelity neutronics simulations
Modeling the run-in of a pebble-bed reactor (PBR) can be challenging as a result of changes in the power, fuel type, and temperatures that occur throughout the run-in period. Previous work utilized high-fidelity neutronics simulations or lower-fidelity coupled neutronics/thermal-hydraulics models to capture the general characteristics of the run-in process. Here, the present work employs high-fidelity neutronics simulations (using Serpent) coupled with thermal-hydraulics simulations (using Griffin–Pronghorn) to capture the thermal feedback present during the run-in and approach to equilibrium for a PBR. Incorporating thermal feedback enables important distinctions to be made about conditions occurring inside the core, as the power distribution, discharge burnup, and isotopic compositions are all affected by the temperature distribution.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Continued Validation Studies using the MOOSE Framework for Plasma Simulation with Electromagnetics
Resources and tools for the modeling and simulation of low-temperature plasma (LTP) discharges are increasingly vital to progress in the field in order to properly characterize and study complex source designs and plasma chemistries beyond the scope of traditional diagnostics. Open-source software provides powerful platforms for this work and can enable community-driven LTP R&D. Within the Multiphysics Object-Oriented Simulation Environment (MOOSE) open-source framework [1], capabilities have been demonstrated in the areas of plasma fluids (Zapdos [2]), plasma chemistry (CRANE [3]), and general electromagnetic wave theory (Electromagnetic Library for Kinetics & fluids [ELK] [4]). ELK has since been coupled to Zapdos/CRANE to enable fully coupled electromagnetic plasma simulations. This talk will detail the continued validation efforts and discuss Zapdos-ELK-CRANE code coupling with various-low temperature plasma sources. The impact of fully coupled electromagnetics on process parameters (e.g., temperature and electron/ion energy) versus an electrostatic description will also be discussed. [1] Permann et al., SoftwareX, 11 (2020) 100430. [2] Lindsay et al., J. Phys. D: Appl. Phys. 49 (2016) 235204. [3] Keniley et al., Talk, GEC Session DT3.00002 (2019). [4] Icenhour et al., Talk, GEC Session RR1.00006 (2019). Acknowledgements: INL Graduate Fellowship Program, NSF SI2 Grant 1740300, U.S. Dept. of Energy Office of Science Graduate Student Research Program
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Coupling CTH to Linear Acoustic Propagation across an Air-Earth Interface
The interface between the Earth and the atmosphere forms a strong contrast in material properties. As such, numerical issues can arise when simulating an elastic wavefield across such a boundary when using a numerical simulation scheme. This is exacerbated when two different simulation codes are coupled straddling that interface. In this report we document how we implement the coupling of CTH, a nonlinear shock physics code, to a linearized elastic/acoustic wave propagation algorithm, axiElasti, across the air-earth interface. We first qualitatively verify that this stable coupling between the two algorithms produces expected results with no visible effects of the coupling interface. We then verify the coupling interface quantitatively by checking consistency with results from previous work and with coupled acoustic-elastic seismo-acoustic source inversions in three earth materials.
58 GEOSCIENCES↗
One-Dimensional Coupled Ecosystem-Carbon Flux Model for the Simulation of Biogeochemical Parameters at Ocean Weather Station P
In this Technical Publication, we describe the model functionality and analyze its application to the seasonal and interannual variations of phytoplankton, nutrients, pCO2 and CO2 concentrations in the eastern subarctic Pacific at Ocean Weather Station P (OWSP, 50 deg. N 145 deg. W). We use a verified one-dimensional ecosystem model, coupled with newly incorporated carbon flux and carbon chemistry components, to simulate 22 years (1958-1980) of pCO2 and CO2 variability at Ocean Weather Station P (OWS P). This relatively long period of simulation verifies and extends the findings of previous studies using an explicit approach for the biological component and realistic coupling with the carbon flux dynamics. The slow currents and the horizontally homogeneous ocean in the subarctic Pacific make OWS P one of the best available candidates for modeling the chemistry of the upper ocean in one dimension. The chlorophyll and ocean currents composite for 1998 illustrates this premise. The chlorophyll concentration map was derived from SeaWiFS data and the currents are from an OGCM simulation (from R. Murtugudde).
Signorini, S.↗
Multidimensional simulations of Mckenna-driven flow tube configuration: Investigating non-ideality in NO x formation flow tube experiments
Multidimensional simulations have been conducted to simulate atmospheric pressure, flat-flame/McKenna-burner-driven-flow tube experiments targeted to obtain NO x speciation data for predicting/analyzing syngas combustion emissions. In a prior work, we demonstrated the impacts of multidimensional transport on post flame region prediction departures from those assuming unidimensional flow/transport conditions. In this work, we develop and utilize a multidimensional laminar reacting flow solver to simulate the fully coupled flame and post flame regions to further elucidate the impacts of the earlier unidimensional modeling assumptions on interpreting post flame NO x experimental data. The model is used to simulate a lean, premixed syngas/air flame and its associated post flame regions within a cylindrical flow-tube-like arrangement. The combustion process takes place under atmospheric condition with trace amount of NO x seeding fed into the inlet gas stream. The spatial evolution of NO x species (NO and NO 2 ) in the flame and in the post-combustion zone suggests two distinct regions: 1) a region encompassing the flame structure itself; and 2) a post flame region in which the temperature decays due to both axial and radial transport processes. The predictions show that for the conditions studied, a pulsatile flow field exists due to the formation of an expanding and contracting recirculation zone in the outer periphery of the flow tube. By resolving the nature of the flow, the resulting time-averaged temperature and species concentrations show improved agreement with existing experimental measurements. The flow-field interaction results in radial inhomogeneities in the NO 2 profiles with the maximum concentration offset from the flow centerline. The location of the peak in NO 2 is coupled with radial temperature gradients from wall cooling effects and their significant influence on NO/NO 2 interconversion kinetics, producing notable NO 2 accumulation in regions near the wall. Geometrical configurations capable of suppressing/minimizing the pulsatile nature are also investigated and the results are compared. Other experimental configurations could be considered in parametric simulations to determine the optimal configuration that would minimize non-idealities in the observations. The work shows the value in performing such computations in advance of settling on a particular design for flow tube/flow reactor experiments.
42 ENGINEERING↗
Simulation of Hurricane Harvey flood event through coupled hydrologic-hydraulic models: Challenges and next steps
Using the 2017 Hurricane Harvey flood event as a test case, this study set up a series of sensitivity analyses to highlight three challenges associated with large-scale flood inundation modeling, including (a) model parameterization, (b) errors in digital elevation models, and (c) effects of reservoir retention. Driven by radar-based hourly rainfall data, a series of hydrologic-hydraulic models including the VIC hydrologic model, RAPID routing model, and Flood2D-GPU hydrodynamic model are set up over Harris County, Texas, to simulate flood inundation and hazards. The results demonstrate the importance of hydrologic parameters in improving flood modeling. For a large flood event such as Hurricane Harvey, the effect of the initial water depths is insignificant. The Manning's n values may increase the peak water depth by ~1%, the flood extents by 65km 2 , and the high danger zone by ~6%. On the contrary, the bathymetry correction factors may reduce the flood extent by ~1.4% and the high-danger zone by ~4%. Reducing the reservoir storage capacity to 1% may increase the flood extent by ~4% and the high-danger zone by ~17%. This study may provide supporting information to guide and prioritize the development of future high-performance computing hydrodynamic large-scale flood simulations.
54 ENVIRONMENTAL SCIENCES↗
Review of recent activities with MOOSE, an open-source finite element & finite volume multi-fidelity simulation framework
Modeling and simulation are an increasing part of engineering. This is undoubtedly driven by the high costs of constructing experimental facilities, but also enabled by the exponential increase in computing powers over the last decades, which allows computational models to be closer than ever to reality. One of the main drivers for the development of MOOSE is supporting advanced nuclear reactor simulations. A challenging aspect of modeling advanced nuclear reactors is the plurality of physics involved, including neutronics, thermal hydraulics and fuel performance. These physics are all coupled to some extent and are generally solved in a sequential but iterative fashion. The United States (U.S.) national laboratories have been developing MOOSE, an open source multiphysics framework since its inception at the Idaho National Laboratory (INL) in 2008. This framework enables seamless coupling of multiphysics simulations and facilitates the implementation of new physics and material governing laws. It is continuously expanded with novel numerical methods and new pre-implemented physics module. Numerous applications, developed within the Department of Energy (DOE) laboratories, academia, and industry, including outside of nuclear engineering, have been developed to study specialized physics problems. International collaborations are welcome on this open-source modeling and simulation project.
22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
Simulations of ocean deoxygenation in the historical era: insights from forced and coupled models
Ocean deoxygenation due to anthropogenic warming represents a major threat to marine ecosystems and fisheries. Challenges remain in simulating the modern observed changes in the dissolved oxygen (O 2 ). Here, we present an analysis of upper ocean (0-700m) deoxygenation in recent decades from a suite of the Coupled Model Intercomparison Project phase 6 (CMIP6) ocean biogeochemical simulations. The physics and biogeochemical simulations include both ocean-only (the Ocean Model Intercomparison Project Phase 1 and 2, OMIP1 and OMIP2) and coupled Earth system (CMIP6 Historical) configurations. We examine simulated changes in the O 2 inventory and ocean heat content (OHC) over the past 5 decades across models. The models simulate spatially divergent evolution of O 2 trends over the past 5 decades. The trend (multi-model mean and spread) for upper ocean global O 2 inventory for each of the MIP simulations over the past 5 decades is 0.03 ± 0.39×10 14 [mol/decade] for OMIP1, -0.37 ± 0.15×10 14 [mol/decade] for OMIP2, and -1.06 ± 0.68×10 14 [mol/decade] for CMIP6 Historical, respectively. The trend in the upper ocean global O2 inventory for the latest observations based on the World Ocean Database 2018 is -0.98×10 14 [mol/decade], in line with the CMIP6 Historical multi-model mean, though this recent observations-based trend estimate is weaker than previously reported trends. A comparison across ocean-only simulations from OMIP1 and OMIP2 suggests that differences in atmospheric forcing such as surface wind explain the simulated divergence across configurations in O 2 inventory changes. Additionally, a comparison of coupled model simulations from the CMIP6 Historical configuration indicates that differences in background mean states due to differences in spin-up duration and equilibrium states result in substantial differences in the climate change response of O 2 . Finally, we discuss gaps and uncertainties in both ocean biogeochemical simulations and observations and explore possible future coordinated ocean biogeochemistry simulations to fill in gaps and unravel the mechanisms controlling the O 2 changes.
54 ENVIRONMENTAL SCIENCES↗
Analysis of Fire-Induced Circulations during the FireFlux2 Experiment
Despite recent advances in both coupled fire modeling and measurement techniques to sample the fire environment, the fire–atmosphere coupling mechanisms that lead to fast propagating wildfires remain poorly understood. This knowledge gap adversely affects fire management when wildland fires propagate unexpectedly rapidly and shift direction due to the fire impacts on local wind conditions. In this work, we utilized observational data from the FireFlux2 prescribed burn and numerical simulations performed with a coupled fire–atmosphere model WRF-SFIRE to assess the small-scale impacts of fire on local micrometeorology under moderate wind conditions (10–12 m/s). The FireFlux2 prescribed burn provided a comprehensive observational dataset with in situ meteorological observations as well as IR measurements of fire progression. To directly quantify the effects of fire–atmosphere interactions, two WRF-SFIRE simulations were executed. One simulation was run in a two-way coupled mode in which the heat and moisture fluxes emitted from the fire were injected into the atmosphere, and the other simulation was performed in a one-way coupled mode for which the atmosphere was not affected by the fire. The difference between these two simulations was used to analyze and quantify the fire impacts on the atmospheric circulation at different sections of the fire front. The fire-released heat fluxes resulted in vertical velocities as high as 10.8 m/s at the highest measurement level (20 m above ground level) gradually diminishing with height and dropping to 7.9 m/s at 5.77 m. The fire-induced horizontal winds indicated the strongest fire-induced flow at the lowest measurement levels (as high as 3.3 m/s) gradually decreasing to less than 1 m/s at 20 m above ground level. The analysis of the simulated flow indicates significant differences between the fire-induced circulation at the fire head and on the flanks. The fire-induced circulation was much stronger near the fire head than at the flanks, where the fire did not produce particularly strong cross-fire flow and did not significantly change the lateral fire progression. However, at the head of the fire the fire-induced winds blowing across the front were the strongest and significantly accelerated fire progression. The two-way coupled simulation including the fire-induced winds produced 36.2% faster fire propagation than the one-way coupled run, and more realistically represented the fire progression.
Benik, Jeremy T.↗
Evaluation of Cloud Microphysics Simulated using a Meso-Scale Model Coupled with a Spectral Bin Microphysical Scheme through Comparison with Observation Data by Ship-Borne Doppler and Space-Borne W-Band Radars
Equivalent radar reflectivity factors (Ze) measured by W-band radars are directly compared with the corresponding values calculated from a three-dimensional non-hydrostatic meso-scale model coupled with a spectral-bin-microphysical (SBM) scheme for cloud. Three case studies are the objects of this research: one targets a part of ship-borne observation using 95 GHz Doppler radar over the Pacific Ocean near Japan in May 2001; other two are aimed at two short segments of space-borne observation by the cloud profiling radar on CloudSat in November 2006. The numerical weather prediction (NWP) simulations reproduce general features of vertical structures of Ze and Doppler velocity. A main problem in the reproducibility is an overestimation of Ze in ice cloud layers. A frequency analysis shows a strong correlation between ice water contents (IWC) and Ze in the simulation; this characteristic is similar to those shown in prior on-site studies. From comparing with the empirical correlations by the prior studies, the simulated Ze is overestimated than the corresponding values in the studies at the same IWC. Whereas the comparison of Doppler velocities suggests that large-size snowflakes are necessary for producing large velocities under the freezing level and hence rules out the possibility that an overestimation of snow size causes the overestimation of Ze. Based on the results of several sensitivity tests, we conclude that the source of the overestimation is a bias in the microphysical calculation of Ze or an overestimation of IWC. To identify the source of the problems needs further validation research with other follow-up observations.
Iguchi, T.↗
Goal-Oriented Discretization Error Control in Coupled Nearfield-Farfield Low-Boom Simulations
The method of adjoint weighted residuals is used to determine the level of discretization error in loudness predictions of sonic booms on the ground. We analyze the standard nearfied-farfield domain decomposition approach. In the nearfield domain, the three-dimensional Euler equations are solved to obtain a pressure signature generated by the aircraft. In the farfield, this waveform is propagated through the atmosphere to the ground by solving the augmented Burgers’ equation. Loudness is characterized using weighted sound-exposure-level metrics. We formulate discretization error estimates for the ground signature and loudness metrics for this one-way coupled system. Although the nearfield solution is independent of the farfield, the adjoint formulation for the coupled system provides feedback from the farfield to identify high-error regions in the nearfield. The results demonstrate that the discrete adjoint implementation is asymptotically consistent and provides reliable error estimates. Furthermore, we show how the error can be controlled through adaptive refinement of the nearfield mesh. The approach is evaluated on two- and three-dimensional problems, including the X-59 flight demonstration aircraft.
CST↗
Modelling and analysis of nuclear reactor system coupled with a liquid metal battery
Traditionally, nuclear power plants in the U.S. provide baseload power to the power grid because they have less flexibility for ramping their output power than natural gas peaking plants. However, achieving climate goals to reduce the consumption of fossil‐based natural gas places pressure on nuclear power plants and other power generators to ramp up their power output to balance grid generation with demand. This paper presents the modelling and performance analysis of a nuclear reactor system (NRS) coupled to a liquid‐metal battery (LMB) to improve its dynamic response and enable its black start capability. The NRS and LMB thermal behaviour are modelled in Dymola, while the electrical dynamics of the LMB and power grid are modelled in RTDS‐RSCAD. Both simulation platforms are coupled and share their thermal and electrical data using a Transmission Control Protocol/Internet Protocol (TCP/IP) communication protocol. The dynamic performance of the NRS‐LMB integration is tested on the IEEE 9 bus, which demonstrates its ability to respond and provide frequency and voltage regulation. The black start capability of the NRS‐LMB is also evaluated by simulating a grid outage and using the LMB to supply the auxiliary loads required to bring the NRS back online as soon as possible. The results show that coupling an NRS to an LMB improves the system dynamic performance and enables it to black start after being disconnected from the grid for several days.
25 ENERGY STORAGE↗
Rheoceptive mediators of graviperception in a water flea: Morphological implications of antennal-socket setae in daphnia magna
Aquatic microcrustaceans of the genus Daphnia are known to orient to light during the day. At night, in the absence of visual cues, daphnids were suspected of maintaining equilibrium by monitoring the direction of gravity through their swimming antennae. Recent investigations using simulated, weightlessness conditions coupled with absence of illumination revealed hair like structures or setae on the basal, articulating socket of the antennae that, when surgically removed, resulted in disorientation. Given the simulated weightlessness or neutrally buoyant condition that eliminated sinking of the normally negatively buoyant Daphnia, it was proposed that the antennal socket setae function as rheoceptors stimulated by the upward rush of water currents during gravity induced, sinking phase of daphnid swimming movements. This rheoceptively mediated, gravity perception hypothesis is further supported by morphological investigations. Scanning electron micrographs indicate that antennal socket setae are anatomically similar to proprioceptors used by higher crustaceans to monitor gravitational direction.
Meyers, D. G.↗
Cable coupling lightning transient qualification
Simulated lightning strike testing of instrumentation cabling on the redesigned solid rocket motor was performed. Testing consisted of subjecting the lightning evaluation test article to simulated lightning strikes and evaluating the effects of instrumentation cable transients on cables within the system tunnel. The maximum short-circuit current induced onto a United Space Boosters, Inc., operational flight cable within the systems tunnel was 92 A, and the maximum induced open-circuit voltage was 316 V. These levels were extrapolated to the worst-case (200 kA) condition of NASA specification NSTS 07636 and were also scaled to full-scale redesigned solid rocket motor dimensions. Testing showed that voltage coupling to cables within the systems tunnel can be reduced 40 to 90 dB and that current coupling to cables within the systems tunnel can be reduced 30 to 70 dB with the use of braided metallic sock shields around cables that are external to the systems tunnel. Testing also showed that current and voltage levels induced onto cables within the systems tunnel are partially dependant on the cables' relative locations within the systems tunnel. Results of current injections to the systems tunnel indicate that the dominant coupling mode on cables within the systems tunnel is not from instrumentation cables but from coupling through the systems tunnel cover seam apertures. It is recommended that methods of improving the electrical bonding between individual sections of the systems tunnel covers be evaluated. Further testing to better characterize redesigned solid rocket motor cable coupling effects as an aid in developing methods to reduce coupling levels, particularly with respect to cable placement within the systems tunnel, is also recommended.
Cook, M.↗
Predicting Microstructural Void Nucleation in Discontinuous Fiber Composites through Coupled in-situ X-ray Tomography Experiments and Simulations
Composite materials have become widely used in engineering applications, in order to reduce the overall weight of structures while retaining their required strength. In this work, a composite material consisting of discontinuous glass fibers in a polypropylene matrix is studied at the microstructural level through coupled experiments and simulations, in order to uncover the mechanisms that cause damage to initiate in the microstructure under macroscopic tension. Specifically, we show how hydrostatic stresses in the matrix can be used as a metric to explain and predict the exact location of microvoid nucleation that occurs during damage initiation within the composite’s microstructure. Furthermore, this work provides evidence that hydrostatic stresses in the matrix can lead to coupled microvoid nucleation and early fiber breakage, and that small fragments of fibers can play an important role in the process of microvoid nucleation. These results significantly improve our understanding of the mechanics that drive the initiation of damage in the complex microstructures of discontinuous fiber reinforced thermoplastics, while also allowing scientists and engineers to predict the microstructural damage behavior of these composites at sub-fiber resolution and with high accuracy.
36 MATERIALS SCIENCE↗
Multiphysics Simulations of MSRE with NEAMS Thermal Hydraulics Tools
This report documents the benchmarks being developed and simulations performed using tools and codes developed under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, utilizing MSRE experimental data. In FY23, three main work scopes were investigated under the NEAMS MSR work package at ANL. The first scope investigated the Griffin-SAM coupling model for simulating the pump startup transient experiment of MSRE. The analyses start with a simple model (single-channel, single-lattice), gradually adding more details (multi-channel, full-core) into the model. The results show that the reactivity loss curve is very sensitive to the axial boundary conditions and the radial core discretization. The simple model can predict a similar reactivity trend as that of the more sophisticated model, which is likely due to error cancellation. Accurately modeling the axial boundary condition may further improve the reactivity trend but would require significant efforts to generate the mesh of the MSRE inlet and upper plenum. The core channel radial discretization for the Griffin-SAM coupled model also depends on the flow distribution. Given the complex geometry in the inlet plenum, the flow distribution needed to be calculated from CFD analysis, which was performed using the NekRS code. This analysis employed a MSRE CAD model developed by Copenhagen Atomics. The CAD model was disassembled to keep the inlet plenum region only, which was subsequently cleaned and modified so that the mesh generated is under the memory limit. The results are merged to a few radial regions to show that the flow rate is highest in the central region. This would be useful for future improvement of the Griffin-SAM coupling model of the MSRE core. The last task investigated is tritium transport modeling using the standalone SAM code. This task aimed to initiate the effort to demonstrate and validate the tritium transport model implemented in SAM. The preliminary investigation employed an MSRE model consisting of the primary loop. Three tritium transport pathways were examined including the retention in the graphite, the permeation through the HX tube wall, and the removal from the off-gas system. The results compare well with the MSRE data, but improvements are still needed on the initial conditions (i.e., the present state may not have reached equilibrium), the boundary conditions, the off-gas system modeling, and a better numerical strategy to reach the equilibrium state.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Lagrangian dynamics of particle transport in oral and nasal breathing
Here, we present a large-eddy simulation (LES) of saliva particle transport during normal human breathing through the nose and mouth. The flow of the air–saliva mixture is modeled using an Eulerian LES that is coupled with a Lagrangian particle tracking module to obtain trajectories of saliva particles in a room with stagnant air conditions. The coupled Eulerian–Lagrangian simulation yields novel insights into the intricate dynamics of Lagrangian coherent structures (LCS) and fundamental material lines that emerge from the saliva particles' trajectories during several breathing cycles. Further, we systematically compare the quantitative LCS diagnostics of mouth breathing with those of mouth and nose normal breathing. Analyzing the simulation results of human breathing from the mouth and nose, we show that, soon after the first breathing cycle, saliva particles form a series of roll-up vortex rings that propagate forward. The forward propagation of these vortex rings leads to the formation of an asymmetrical primary forefront vortex. The individual vortex rings continuously propagate forward, merging with the forefront vortex, and ascending along the limb of the leading vortex.
42 ENGINEERING↗