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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Physics-Informed Learning for Predictive Multi-Scale Modeling of Water Cycle and Extreme Events

Climate and earth system models have limited skill in predicting water cycle and associated extremes such as intense rain- and wind-producing storms and resulting hazards across all timescales. Water cycle predictions are inherently limited by the predictability of the chaotic system, but large potential for improving predictions remains untapped due to limited use of data-model integration to improve predictive modeling. This white paper proposes a hybrid data-physics paradigm based on physics-informed neural networks (PINNs) to improve the Energy Exascale Earth System Model (E3SM). In particular, we aim to predict and quantify uncertainties of water cycle processes and low probability high impact events.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

How Moist and Dry Intrusions Control the Local Hydrologic Cycle in Present and Future Climates

Models disagree on the magnitude of the intensification of hydrologic cycle extremes under climate change. Changes in these extremes are expected to scale with the Clausius-Clapeyron relation but may locally diverge due to the uncertain response of the atmospheric general circulation. Recent work has identified that the circulation contribution (the “dynamic” component) is the largest contributor to uncertainty in changes in hydrologic cycle extremes. In this work, we develop an exact budget for changes in wet and dry extremes based on changes in the associated moist and dry intrusions behind those extremes. We decompose changes into four contributors: thermodynamic, low-level convergence, anomalous meridional moisture advection, and zonal wave activity convergence. In analyzing these changes, we show that low-level convergence is the main dynamic contributor to the tropical and subtropical annual response, consistent with weakening of the Hadley circulation, and we show that anomalous meridional moisture advection is the primary dynamic contributor annually for the extratropics, consistent with storm track changes. We achieve a clean separation between dynamic and thermodynamic contributions through an empirical scaling between extremes and their associated wave activities, showing again that shifting storm tracks and expanding subtropics are critical to the dynamic response of the transient hydrologic cycle. We infer that changes in the large-scale circulation are predominantly responsible for the annual, dynamic response of hydrologic cycle extremes and therefore an important contributor to uncertainty in future projections.

Hydrological cycle, hydrological extremes, dynamic↗
DOE OSTI2024

Accuracy, transferability, and computational efficiency of interatomic potentials for simulations of carbon under extreme conditions

Large-scale atomistic molecular dynamics (MD) simulations provide an exceptional opportunity to advance the fundamental understanding of carbon under extreme conditions of high pressures and temperatures. However, the fidelity of these simulations depends heavily on the accuracy of classical interatomic potentials governing the dynamics of many-atom systems. Here, this study critically assesses several popular empirical potentials for carbon, as well as machine learning interatomic potentials (MLIPs), in their ability to simulate a range of physical properties at high pressures and temperatures, including the diamond equation of state, its melting line, shock Hugoniot, uniaxial compressions, and the structure of liquid carbon. Empirical potentials fail to accurately predict the behavior of carbon under high pressure–temperature conditions. In contrast, MLIPs demonstrate quantum accuracy, with Spectral Neighbor Analysis Potential (SNAP) and atomic cluster expansion (ACE) being the most accurate in reproducing the density functional theory results. ACE displays remarkable transferability despite not being specifically trained for extreme conditions. Furthermore, ACE and SNAP exhibit superior computational performance on graphics processing unit-based systems in billion atom MD simulations, with SNAP emerging as the fastest. In addition to offering practical guidance in selecting an interatomic potential with a fine balance of accuracy, transferability, and computational efficiency, this work also highlights transformative opportunities for groundbreaking scientific discoveries facilitated by quantum-accurate MD simulations with MLIPs on emerging exascale supercomputers.

36 MATERIALS SCIENCE↗
NASA NTRS2022

Turbulent Heat Flux, Downward Longwave Radiation, and Large-Scale Atmospheric Circulation Associated with Wintertime Barents–Kara Sea Extreme Sea Ice Loss Events

We investigate wintertime extreme sea ice loss events on synoptic to subseasonal time scales over the Barents–Kara Sea, where the largest sea ice variability is located. Consistent with previous studies, extreme sea ice loss events are associated with moisture intrusions over the Barents–Kara Sea, which are driven by the large-scale atmospheric circulation. In addition to the role of downward longwave radiation associated with moisture intrusions, which is emphasized by previous studies, our analysis shows that strong turbulent heat fluxes are associated with extreme sea ice melting events, with both turbulent sensible and latent heat fluxes contributing, although turbulent sensible heat fluxes dominate. Our analysis also shows that these events are connected to tropical convective anomalies. A dipole pattern of convective anomalies with enhanced convection over the Maritime Continent and suppressed convection over the central to eastern Pacific is consistently detected about 6–10 days prior to extreme sea ice loss events. This pattern is associated with either the Madden–Julian oscillation (MJO) or El Nino–Southern Oscillation (ENSO). Composites show that extreme sea ice loss events are connected to tropical convection via Rossby wave propagation in the midlatitudes. However, tropical convective anomalies alone are not sufficient to trigger extreme sea ice loss events, suggesting that extratropical variability likely modulates the connection between tropical convection and extreme sea ice loss events.

Arctic↗
NASA NTRS2020

Projecting exposure to extreme climate impact events across six event categories and three spatial scales

The extent and impact of climate‐related extreme events depend on the underlying meteorological, hydrological, or climatological drivers as well as on human factors such as land use or population density. Here we quantify the pure effect of historical and future climate change on the exposure of land and population to extreme climate impact events using an unprecedentedly large ensemble of harmonized climate impact simulations from the Inter‐Sectoral Impact Model Intercomparison Project phase 2b. Our results indicate that global warming has already more than doubled both the global land area and the global population annually exposed to all six categories of extreme events considered: river floods, tropical cyclones, crop failure, wildfires, droughts, and heatwaves. Global warming of 2°C relative to preindustrial conditions is projected to lead to a more than five‐fold increase in cross‐category aggregate exposure globally. Changes in exposure are unevenly distributed, with tropical and subtropical regions facing larger increases than higher latitudes. The largest increases in overall exposure are projected for the population of South Asia.

climate‐related extreme events↗
NASA NTRS2015

Spatiotemporal Coherence of Mean and Extreme Aerosol Particle Events over Eastern North America as Observed from Satellite

Quantifying spatiotemporal scales of coherence and variability of aerosol particle properties provides (i) metrics for evaluating observational data sets and model simulations, (ii) inferences regarding dominant causes of variability, and (iii) information that is necessary to determine their climate forcing and air quality impacts. Accordingly, analyses of columnar aerosol optical depth (AOD) and Ångstrom exponent (AE) from the MODerate resolution Imaging Spectroradiometer (MODIS) on the Aqua and Terra satellites, and AErosol RObotic NETwork (AERONET) stations are used to evaluate the spatially averaged (Level-3) MODIS products, and to characterize the spatiotemporal scales of variability (and coherence) of aerosol particles over eastern North America (2000-2013). Results show a high degree of consistency in AOD retrievals from the different data sets but larger discrepancies in AE estimates, highest mean AOD and lowest day-to-day variability during the summer, and largest scales of spatial coherence in summer and fall. Consistent with the scales of spatial coherence from MODIS data, in both data sets power spectra indicate AOD variability is manifest primarily on synoptic and annual time scales. Conversely, AE variability in MODIS data is primarily focused on seasonal, semiannual, and annual time scales, and there is an additional mode of AE variability at approx. 30 days in the AERONET measurements. The frequency of cooccurrence of extreme AOD values (>local 90th percentile) decreases to below 50% at approx. 150 km from a central grid cell, but is above that expected by random chance over almost all of eastern North America, indicating supra-regional scale extreme events.

MODIS↗
NASA NTRS2017

Realistic 3D Radiative Modeling of Turbulent Structure of Moderate-Mass Stars and Sun

Understanding the turbulent dynamics of the Sun and stars is a critical element for interpreting observed processes and phenomena on different scales and for predicting extreme events such as flares and super flares. High-­‐resolution observations of the Sun and high-­‐fidelity radiative MHD numerical simulations have substantially advanced our understanding of solar and stellar local dynamics and magnetism from the upper convection zone to the atmosphere and corona. However, global modeling of the Sun with such a high degree of realism is currently not affordable due to the extremely high computational cost of resolving the scales in the convection zone. The physics of the deep solar dynamics can be effectively addressed through modeling more massive solar-­‐type stars where the convection zone is shallower and the convective overturning time is much shorter than those on the Sun. We present recent 3D realistic simulation results of moderate-­‐mass stars and discuss links between solar and stellar dynamics, such as the multiscale structure of granulation, convective overshoot, and others. In particular, these simulations have provided better understanding of the dynamics of the tachocline (the overshoot layer at the bottom of the convection zone) and have explained long-­‐ standing results from helioseismology.

Realistic↗
NASA NTRS2002

Reduction of Convection in Closed Tube Vapor Transport Experiments

The primary objective of this effort was to develop a method for suppressing convective flows during the growth of mercurous chloride crystals by vapor transport in closed tubes to levels approaching those obtained in the microgravity environment. Mercurous chloride was chosen because it is a technologically interesting acoustical optical material whose optical properties are believed to be affected by convective flows. Since the Grashof number scales as the cube of the smallest dimension in the flow system, reduction of the size scale can be extremely effective in reducing unwanted convective flows. However, since materials of practical interest must be grown at least on the cm scale, reduction of the overall growth system is not feasible. But if the region just above the growing crystal could be restricted to a few mm, considerable reduction in flow velocity would result. By suspending an effusive barrier in the growth ampoule just above the growth interface, it should be possible to reduce the convective velocity in this vicinity to levels approaching flows in microgravity. If successful, this growth technique will offer a screening test for proposed space experiments that involve vapor transport to see if reduction of convection will result in improved material and will set a new standard against which the improvements obtained in microgravity may be judged. In addition, it may provide an improved method for preparing materials on Earth whose growth is affected adversely by convection. If the properties of this material can be improved there is a potential commercial interest from Brimrose Inc., who has agreed to fabricate and test devices from the crystals we have grown. This report describes the development of the growth facility, the purification processes developed for preparing the starting material, and the results from growth experiments with and without the effusive baffle. Mercurous chloride turned out to be a more difficult material to deal with than originally anticipated. At growth temperatures, it is extremely sensitive to practically any impurity which causes it to form oxychlorides and/or to decompose into elemental mercury and bichloride of mercury. We were unable to find a suitable method for protecting the magnetic material used to suspend the effusion barrier from the attack of mercurous chloride vapor. Although we were successful in growing single crystals of mercurous chloride without the effusion baffle, they exhibited severe microcracking which we attribute to wall-induced thermal stresses. This leads us to believe that uncontrolled convection may not be the most important problem in the development of this material and a new growth process was attempted that eliminates the wall-induced stress. Unfortunately, the grant ran out before this new method could be adequately tested.

Naumann, R. J.↗
DOE OSTI2024

Performance on HPC Platforms Is Possible Without C++

Computing at large scales has become extremely challenging due to increasing heterogeneity in both hardware and software. More and more scientific workflows must tackle a range of scales and use machine learning and AI intertwined with more traditional numerical modeling methods, placing more demands on computational platforms. These constraints indicate a need to fundamentally rethink the way computational science is done and the tools that are needed to enable these complex workflows. The current set of C++-based solutions may not suffice, and relying exclusively upon C++ may not be the best option, especially because several newer languages and boutique solutions offer more robust design features to tackle the challenges of heterogeneity. In June 2023, we held a mini symposium that explored the use of newer languages and heterogeneity solutions that are not tied to C++ and that offer options beyond template metaprogramming and Parallel. For for performance and portability. In conclusion, we describe some of the presentations and discussion from the mini symposium in this article.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Kiloton-scale xenon detectors for neutrinoless double beta decay and other new physics searches

We report that large detectors employing xenon are a leading technology in existing and planned searches for new physics, including searches for neutrinoless double beta decay (0νββ) and dark matter. While upcoming detectors will employ target masses of a ton or more, further extending gas- or liquid-phase Xe detectors to the kton scale would enable extremely sensitive next-generation searches for rare phenomena. The key challenge to extending this technology to detectors well beyond the ton scale is the acquisition of the Xe itself. We describe the motivation for extending Xe time-projection chambers to the kton scale and possible avenues for Xe acquisition that avoid existing supply chains. If acquisition of Xe in the required quantities is successful, kton-scale detectors of this type could enable a new generation of experiments, including searches for 0νββ at half-life sensitivities as long as 10 30 yr.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Performance of Convection-Permitting and Convection-Parameterized Models in Reproducing the Extreme Precipitation Intensity Relationship with Surface Conditions

Here, this study investigates the warm-season extreme precipitation–temperature scaling relationship in CONUS404, a convection-permitting (4 km) Weather Research and Forecasting (WRF) Model simulation over the conterminous United States for the past four decades, and compares it with the WRF-Thermodynamic Global Warming (WRF-TGW) historical simulation at a coarser resolution (12 km) using parameterized convection. We also analyze the NCEP stage IV and NASA Integrated Multi-satellitE Retrievals for the Global Precipitation Measurement (IMERG) datasets as observational benchmarks. We examine how extreme precipitation intensity (EPI) varies with temperature and saturation deficit over representative regions based on hourly data. The stage IV and IMERG data show a similar pattern of EPI variation with temperature and saturation deficit, except that the EPI peak is lower in IMERG than in stage IV. Under dry and hot conditions, EPI decreases too rapidly with elevated saturation deficit in both CONUS404 and WRF-TGW compared to observations, but the performance of CONUS404 is superior to WRF-TGW. When the near-surface atmosphere is saturated or close to saturated, both CONUS404 and WRF-TGW produce higher peak values of EPI relative to the observational references; IMERG exhibits scaling rates close to the Clausius–Clapeyron (C–C) relationship, while CONUS404, WRF-TGW, and stage IV all demonstrate super-C–C scaling behaviors. Despite marked warming over the past four decades, in both CONUS404 and WRF-TGW, the scaling relationship between EPI and temperature in a saturated atmosphere remains stable and robust. This indicates a strong potential for the EPI–temperature scaling rate under saturation to be used as an emergent constraint in reducing uncertainties of future extreme precipitation projection.

Atmosphere↗
DOE OSTI2023

Bicrystallography-informed Frenkel–Kontorova model for interlayer dislocations in strained 2D heterostructures

In recent years, van der Waals (vdW) heterostructures and homostructures, which consist of stacks of two-dimensional (2D) materials, have risen to prominence due to their association with exotic quantum phenomena originating from correlated electronic states harbored by them. Atomistic scale relaxation effects play an extremely important role in the electronic scale quantum physics of these systems, providing means of manipulation of these materials and allowing them to be tailored for emergent technologies. We investigate such structural relaxation effects in this work using atomistic and mesoscale models, within the context of twisted bilayer graphene — a well-known heterostructure system that features moiré patterns arising from the lattices of the two graphene layers. For small twist angles, atomic relaxation effects in this system are associated with the natural emergence of interface dislocations or strain solitons, which result from the cyclic nature of the generalized stacking fault energy (GSFE), that measures the interface energy based on the relative movement of the two layers. Here, in this work, we first demonstrate using atomistic simulations that atomic reconstruction in bilayer graphene under a large twist also results from interface dislocations, although the Burgers vectors of such dislocations are considerably smaller than those observed in small-twist systems. To reveal the translational invariance of the heterointerface responsible for the formation of such dislocations, we derive the translational symmetry of the GSFE of a 2D heterostructure using the notions of coincident site lattices (CSLs) and displacement shift complete lattices (DSCLs). The workhorse for this exercise is a recently developed Smith normal form bicrystallography framework. Next, we construct a bicrystallography-informed and frame-invariant Frenkel–Kontorova model, which can predict the formation of strain solitons in arbitrary 2D heterostructures, and apply it to study a heterostrained, large-twist bilayer graphene system. Our mesoscale model is found to produce results consistent with atomistic simulations. We anticipate that the model will be invaluable in predicting structural relaxation and for providing insights into various heterostructure systems, especially in cases where the fundamental unit cell is large and therefore, atomistic simulations are computationally expensive.

2D heterostructures↗
DOE OSTI2020

Laboratory Study of Nonlinear QED in Intense Laser-Matter Interactions

The goal of the project was to investigate the interaction of powerful laser light with matter, which is of fundamental interest to electrodynamics, thermonuclear fusion plasmas, and high-energy-density physics for DOE. Experiments on highly nonlinear relativistic interactions were performed using the state-of-the-art DIOCLES laser at the Extreme Light Laboratory of the University of Nebraska–Lincoln (UNL). We have demonstrated a novel testbed for laser-plasma interactions in which laser pulses collided in plasma with femtosecond and micron-scale accuracy under extreme experiment conditions. This capability is crucial for future radiation reaction experiments and nonlinear QED studies. Moreover, this is also a milestone towards the efficient generation of GeV electron beams via travelling wave laser wakefield accelerator. We proposed a novel idea for measuring the radiation reaction process using travelling wave Thomson scattering, which was studied in numerical simulations. This method allows unambiguous measurement of radiation reaction in a single shot, therefore, surpassing the conventional methods, which suffer severely from the shot-to-shot fluctuations, due to the instability of laser wavefield acceleration.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2022

Turbulent Heat Flux, Downward Longwave Radiation and Large-Scale Atmospheric Circulation Associated with the Wintertime Barents-Kara Sea Extreme Sea Ice Loss Events

We investigate wintertime extreme sea ice loss events on synoptic to subseasonal time scales over the Barents-Kara Sea, where the largest sea ice variability is located. Consistent with previous studies, extreme sea ice loss events are associated with moisture intrusions over the Barents-Kara Sea, which are driven by the large-scale atmospheric circulation. In addition to the role of downward longwave radiation associated with moisture intrusions, which is emphasized by previous studies, our analysis shows strong turbulent heat fluxes are associated with extreme sea ice melting events, with both turbulent sensible and latent heat fluxes contributing, though turbulent sensible heat fluxes dominate. Our analysis also shows that these events are connected to tropical convective anomalies. A dipole pattern of convective anomalies with enhanced convection over the Maritime Continent and suppressed convection over the central to eastern Pacific is consistently detected about 6 to 10 days prior to extreme sea ice loss events. This pattern is associated with either the Madden-Julian Oscillation (MJO) or El Niño–Southern Oscillation (ENSO). Composites show that extreme sea ice loss events are connected to tropical convection via Rossby wave propagation in the midlatitudes. However, tropical convective anomalies alone are not sufficient to trigger extreme sea ice loss events, suggesting that extratropical variability likely modulates the connection between tropical convection and extreme sea ice loss events.

Turbulent heat flux↗
DOE OSTI2024

Investigating the effects of cooperative transmission expansion planning on grid performance during heat waves with varying spatial scales

There is growing recognition of the advantages of interregional transmission capacity to decarbonize electricity grids. A less explored benefit is potential performance improvements during extreme weather events. This study examines the impacts of cooperative transmission expansion planning using an advanced modeling chain to simulate power grid operations of the United States Western Interconnection in 2019 and 2059 under different levels of collaboration between transmission planning regions. Two historical heat waves in 2019 with varying geographical coverage are replayed under future climate change in 2059 to assess the transmission cooperation benefits during grid stress. The results show that cooperative transmission planning yields the best outcomes in terms of reducing wholesale electricity prices and minimizing energy outages both for the whole interconnection and individual transmission planning regions. Compared to individual planning, cooperative planning reduces wholesale electricity prices by 64.3 % and interconnection-wide total costs (transmission investments + grid operations) by 34.6 % in 2059. It also helps decrease greenhouse gas emissions by increasing renewable energy utilization. However, the benefits of cooperation diminish during the widespread heat wave when all regions face extreme electricity demand due to higher space cooling needs. Despite this, cooperative transmission planning remains advantageous, particularly for California Independent System Operator with significant diurnal solar generation capacity. This study suggests that cooperation in transmission planning is crucial for reducing costs and increasing reliability both during normal periods and extreme weather events. It highlights the importance of optimizing the strategic investments to mitigate challenges posed by wider-scale extreme weather events of the future.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Comparison of a Full-Scale and a 1:10 Scale Low-Speed Two-Stroke Marine Engine Using Computational Fluid Dynamics

International marine shipping is a growing component of international trade; a vast majority of all the world’s goods are being transported on large ocean-going vessels. The International Maritime Organization (IMO) introduced the Energy Efficiency Design Index in 2013, a regulatory framework of associated metrics for reducing emissions of CO 2 per tonne-mile from shipping by approximately 10% each decade. Therefore, decarbonizing the maritime sector requires the development of new fuel sources. Because of the extremely large physical size of the internal combustion engines present in shipping vessels, experimental iterative development of the engine and fuel system is cost-prohibitive. Thus, the ability to perform combustion system development in a scaled platform that can be more easily operated and modeled computationally is of interest. To that end, scaling relationships are needed to translate the results from a smaller engine to a larger counterpart. Scaling studies to date have been restricted to low scaling ratios, four-stroke light-duty engines, and under-resolved computational fluid dynamic simulations that likely do not accurately capture the physics of scaling. In this work, computational models of a 1:10 scale and a full-scale two-stroke crosshead low-speed marine engine were created and validated against experiments obtained in a real 1:10 scale engine installed at Oak Ridge National Laboratory. Further, due to the large size of the full-scale engine, the model required large high-performance computing resources to be evaluated. The availability of high-performance computing resources at the Department of Energy’s Leadership Computing Facilities is an enabler of the current work. The results of the small- and large-scale engine simulations were compared to analyze the effectiveness of the appropriate scaling laws under these extreme scaling ratio conditions.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1996

Dynamic Models for LES of Turbulent Front Propagation With a Spectral Method

Direct numerical simulation of turbulent reacting flows places extreme demands on computational resources. At the present time, simulations can be performed only for greatly simplified reaction systems and for very low Reynolds numbers. Direct simulation of more realistic cases occurring at higher Reynolds number and including multiple species and numerous chemical reactions will exceed available computational resources far into the future. Because of this, there is a clear need to develop the technique of large eddy simulation for reacting flows. Unfortunately this task is complicated by the fact that combustion arises from chemical reactions that occur at the smallest scales of the flow. Capturing the large-scale behavior without resolving the small-scale details is extremely difficult in combustion problems. Thus LES modeling for turbulent combustion encounters difficulties not present in modeling momentum transport, in which the main effect of the small scales is to provide dissipation. The difficulty is more pronounced in premixed combustion, where detailed chemistry plays an essential role in determining the flame speed (or overall burning rate); in nonpremixed combustion infinite rate chemistry can be assumed, eliminating the small scale features to a first approximation.

Im, H. G.↗