Search NASA⌕ Search

SEARCH · Search NASA

Results for “ensemble 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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Cosmological density fluctuations and large-scale structure From N-point correlation functions to the probability distribution

Knowledge of N-point correlation functions for all N allows one to invert and obtain the probability distribution of mass fluctuations in a fixed volume. The hierarchical sequence of higher order is applied to correlations with dimensionless amplitudes suggested by the BBGKY equations. The resulting distribution is significantly non-Gaussian, even for quite small mean square fluctuations. The qualitative and to some degree quantitative results are to a large degree independent of the exact sequence of amplitudes. An ensemble of such models compared with N-body simulations fails in detail to account for the low-density frequency distribution.

Fry, J. N.↗
NASA NTRS1995

The use of optimal polarizations for studying the microphysics of precipitation: Nonattenuating wavelengths

The objective of this work is to explore relationships between the microphysical properties of precipitation and optimal polarizations. The dependence of three optimal polarization parameters (asymmetry ratio A, optimal tilt tau(sub op), and optimal ellipticity epsilon(sub op) on the reflectivity-weighted mean drop shape, mean canting angle, and standard deviation of a Gaussian canting angle distribution is studied. This is accomplished by using computer simulations that provide the rms scattering matrix for an ensemble of canted drops with a prescribed two-parameter canting angle distribution. Also examined are the effects of propagation on the polarization parameters for nonattenuating wavelengths. The asymmetry ratio A is simply the ratio of the maximal to minimal total backscattered energy (ratio of the largest and smallest eigenvalue of the Graves power matrix G is identically equal to S dagger S). Similar to Z(sub DR), this ratio decreases with increasing mean axial ratio, but unlike Z(sub DR), it is not affected by canting (for a single drop). The dependence of A on the reflectivity-weighted mean drop shape is examined, and a power-law relationship similar to that which exists for Z(sub DR) is established. The asymmetry ratio A can be regarded as a generalization of Z(sub DR) because it requires only a measurement of linear depolarization ratio (in addition to Z(sub DR)), is independent of the propagation phase, and is less sensitive to canting. In a similar manner, the dependence of optimal ellipticity and tilt on the microphysical parameters is studied. In particular, it appears that the rms tilt of the optimal polarization ellipse is proportional to the variance of the canting angle distribution. Several other promising relationships between optimal polarizations and the microphysical variables of an ensemble of hydrometeors are also discussed.

Kwiatkowski, John M.↗
NASA NTRS2001

A Study of the Response of Deep Tropical Clouds to Mesoscale Processes: Modeling Strategies and Simulations of TOGA-COARE Convective Systems - Part 1

Interactions between deep tropical clouds over the western Pacific warm pool and the larger-scale environment are key to understanding climate change. Cloud models are an extremely useful tool in simulating and providing statistical information on heat and moisture transfer processes between cloud systems and the environment, and can therefore be utilized to substantially improve cloud parameterizations in climate models. In this paper, the Goddard Cumulus Ensemble (GCE) cloud-resolving model is used in multi-day simulations of deep tropical convective activity over the Tropical Ocean-Global Atmosphere Coupled Ocean-Atmosphere Response Experiment (TOGA COARE). Large-scale temperature and moisture advective tendencies, and horizontal momentum from the TOGA-COARE Intensive Flux Array (IFA) region, are applied to the GCE version which incorporates cyclical boundary conditions. Sensitivity experiments show that grid domain size produces the largest response to domain-mean temperature and moisture deviations, as well as cloudiness, when compared to grid horizontal or vertical resolution, and advection scheme. It is found that a minimum grid-domain size of 500 km is needed to adequately resolve the convective cloud features. The control experiment shows that the atmospheric heating and moistening is primarily a response to cloud latent processes of condensation/evaporation, and deposition/sublimation, and to a lesser extent, melting of ice particles. Air-sea exchange of heat and moisture is found to be significant, but of secondary importance, while the radiational response is small. The simulated rainfall and atmospheric heating and moistening, agrees well with observations, and performs favorably to other models simulating this case.

Johnson, Daniel E.↗
NASA NTRS2010

Quantifying Uncertainty in Projections of Stratospheric Ozone Over the 21st Century

Future stratospheric ozone concentrations will be determined both by changes in the concentration of ozone depleting substances (ODSs) and by changes in stratospheric and tropospheric climate, including those caused by changes in anthropogenic greenhouse gases (GHGs). Since future economic development pathways and resultant emissions of GHGs are uncertain, anthropogenic climate change could be a significant source of uncertainty for future projections of stratospheric ozone. In this pilot study, using an ensemble of opportunity of chemistry-climate model (CCM) simulations, the contribution of scenario uncertainty from different plausible emissions pathways for 10 ODSs and GHGs to future ozone projections is quantified relative to the contribution from model uncertainty and internal variability of the chemistry-climate system. For both the global, annual mean ozone concentration and for ozone in specific geographical regions, differences between CCMs are the dominant source of uncertainty for the first two-thirds of the 21 st century, up-to and after the time when ozone concentrations 15 return to 1980 values. In the last third of the 21st century, dependent upon the set of greenhouse gas scenarios used, scenario uncertainty can be the dominant contributor. This result suggests that investment in chemistry-climate modelling is likely to continue to refine projections of stratospheric ozone and estimates of the return of stratospheric ozone concentrations to pre-1980 levels.

Charlton-Perez, A. J.↗
NASA NTRS1986

Monte Carlo simulation of charged particle impact on the satellites of Jupiter and Saturn

Ensemble-averaged lifetimes of Jovian and Saturnian trapped charged particles against loss by impact on natural satellites are presented. Precise values of these loss rates can be obtained from the known geometry of the satellite orbits, magnetic fields, and particle trajectory. These loss rates are needed as an ingredient of transport theory which is usually formulated in terms of the first and second adiabatic invariants and radial distance. The effects of satellite orbital inclination and eccentricity, ion charge to mass ratio and energy, equatorial pitch, and distance from the planet on the particle lifetime are discussed utilizing a tilted, but not offset, dipolar field geometry resulting in lifetime values expressed as functions of the first two adiabatic invariants and the equatorial radial distance from the planet.

Bell, E. V., II↗
DOE OSTI2024

Mid-century climate change impacts on tornado-producing tropical cyclones

Tornadoes are a co-occurring extreme that can be produced by landfalling tropical cyclones (TCs). These tornadoes can exacerbate the loss of life and property damage caused by the TC from which they were spawned. It is uncertain how the severe weather environments of landfalling TCs may change in a future climate and how this could impact tornado activity from TCs. In this study, we investigated four TCs that made landfall in the U.S. and produced large tornado outbreaks. We performed four-member ensembles of convective-allowing (4-km resolution) regional climate model simulations representing each TC in the historical climate and a mid-twenty-first century future climate. To identify potentially tornadic storms, or TC-tornado (TCT) surrogates, we used thresholds for three-hourly maximum updraft helicity and radar reflectivity, as tornadoes are not resolved in the model. We found that the ensemble-mean number of TCT-surrogates increased substantially (56–299%) in the future, supported by increases in most-unstable convective available potential energy, surface-to-700-hPa bulk wind shear, and 0–1-km storm-relative helicity in the tornado-producing region of the TCs. On the other hand, future changes in most-unstable convective inhibition had minimal influence on future TCT-surrogates. This provides robust evidence that tornado activity from TCs may increase in the future. Furthermore, TCT-surrogate frequency between 00Z and 09Z increased for three of the four cases, suggesting enhanced tornado activity at night, when people are asleep and more likely to miss warnings. All of these factors indicate that TC-tornadoes may become more frequent and a greater hazard in the future, compounding impacts from future increases in TC winds and precipitation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Unlocking the unfolded structure of ubiquitin: Combining time-resolved x-ray solution scattering and molecular dynamics to generate unfolded ensembles

The unfolding dynamics of ubiquitin were studied using a combination of x-ray solution scattering (XSS) and molecular dynamics (MD) simulations. The kinetic analysis of the XSS ubiquitin signals showed that the protein unfolds through a two-state process, independent of the presence of destabilizing salts. In order to characterize the ensemble of unfolded states in atomic detail, the experimental XSS results were used as a constraint in the MD simulations through the incorporation of x-ray scattering derived potential to drive the folded ubiquitin structure toward sampling unfolded states consistent with the XSS signals. We detail how biased MD simulations provide insight into unfolded states that are otherwise difficult to resolve and underscore how experimental XSS data can be combined with MD to efficiently sample structures away from the native state. Our results indicate that ubiquitin samples unfolded in states with a high degree of loss in secondary structure yet without a collapse to a molten globule or fully solvated extended chain. Finally, we propose how using biased-MD can significantly decrease the computational time and resources required to sample experimentally relevant nonequilibrium states.

Chemistry↗
NASA NTRS1989

Using a numerical cumulus ensemble model as a tool for studying cloud processes

A numerical cumulus ensemble model is presented, which covers a large area, and resolves individual cumulus clouds. The clouds produced by the model simulation are illustrated. Scatter plots of cloud amount vs relative humidity are examined. Plans for a cumulus ensemble model study on the effects of boundary layer processes on cloud formation are discussed.

Krueger, Steven K.↗
DOE OSTI2026

New framework for benchmarking decadal predictions leveraging the PCMDI Metric Package with interactive visualization

Reliable climate predictions across multiple timescales are increasingly critical as climate-related risks continue to rise. With the growing number and diversity of climate prediction systems, systematic intercomparison has become essential. Here, we present a comprehensive evaluation framework based on the PCMDI Metric Package to assess the performance of multiple decadal climate prediction systems. Unlike uninitialized simulations, initialized predictions exhibit bias and predictive skill that evolve with forecast lead time. To address this, we introduce (1) model-by-lead-time portrait plots, which efficiently summarize metrics of global temperature, precipitation, and Arctic/Antarctic sea-ice extent, and (2) an HTML-based interactive visualization platform that provides detailed regional and seasonal diagnostics of model bias, skill scores, and ensemble spread for each model and lead time. Comparisons with uninitialized simulations further quantify the relative impacts of initialization and external forcing on prediction skill. The proposed framework provides a scalable and transparent approach for multi-model climate prediction assessments and can be readily extended to a wide range of operational and research forecasting systems.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2024

An Extensible Perturbed Parameter Ensemble for the Community Atmosphere Model Version 6

This paper documents the methodology and preliminary results from a Perturbed Parameter Ensemble (PPE) technique, where multiple parameters are varied simultaneously and the parameter values are determined with Latin hypercube sampling. This is done with the Community Atmosphere Model version 6 (CAM6), the atmospheric component of the Community Earth System Model version 2 (CESM2). We apply the PPE method to CESM2-CAM6 to understand climate sensitivity to atmospheric physics parameters. The initial simulations vary 45 parameters in the microphysics, convection, turbulence and aerosol schemes with 263 ensemble members. These atmospheric parameters are typically the most uncertain in many climate models. Control simulations are analyzed and targeted simulations to understand climate forcing due to aerosols and fast climate feedbacks. The use of various emulators is explored in the multi- dimensional space mapping input parameters to output metrics. Parameter impacts on various model outputs, such as radiation, cloud and aerosol properties are evaluated. Machine learning is also used to probe optimal parameter values against observations. Our findings show that using PPE is a valuable tool for climate uncertainty analysis. Furthermore, by varying many parameters simultaneously, we find that many different combinations of parameter values can produce results consistent with observations, and thus careful analysis of tuning is important. The CESM2-CAM6 PPE is publicly available, and extensible to other configurations to address questions of other model processes in the atmosphere and other model components (e.g. coupling to the land surface).

Machine learning↗
NASA NTRS2011

Land Data Assimilation of Satellite-Based Soil Moisture Products Using the Land Information System Over the NLDAS Domain

This presentation will include results from data assimilation simulations using the NASA-developed Land Information System (LIS). Using the ensemble Kalman filter in LIS, two satellite-based soil moisture products from the AMSR-E instrument were assimilated, one a NASA-based product and the other from the Land Parameter Retrieval Model (LPRM). The domain and land-surface forcing data from these simulations were from the North American Land Data Assimilation System Phase-2, over the period 2002-2008. The Noah land-surface model, version 3.2, was used during the simulations. Changes to estimates of land surface states, such as soil moisture, as well as changes to simulated runoff/streamflow will be presented. Comparisons over the NLDAS domain will also be made to two global reference evapotranspiration (ET) products, one an interpolated product based on FLUXNET tower data and the other a satellite- based algorithm from the MODIS instrument. Results of an improvement metric show that assimilating the LPRM product improved simulated ET estimates while the NASA-based soil moisture product did not.

Mocko, David M.↗
DOE OSTI2024

An extensible perturbed parameter ensemble for the Community Atmosphere Model version 6

This paper documents the methodology and preliminary results from a perturbed parameter ensemble (PPE) technique, where multiple parameters are varied simultaneously and the parameter values are determined with Latin hypercube sampling. This is done with the Community Atmosphere Model version 6 (CAM6), the atmospheric component of the Community Earth System Model version 2 (CESM2). We apply the PPE method to CESM2–CAM6 to understand climate sensitivity to atmospheric physics parameters. The initial simulations vary 45 parameters in the microphysics, convection, turbulence and aerosol schemes with 263 ensemble members. These atmospheric parameters are typically the most uncertain in many climate models. Control simulations and targeted simulations to understand climate forcing due to aerosols and fast climate feedbacks are analyzed. The use of various emulators is explored in the multi-dimensional space mapping input parameters to output metrics. Parameter impacts on various model outputs, such as radiation, cloud and aerosol properties, are evaluated. Machine learning is also used to probe optimal parameter values against observations. Our findings show that PPE is a valuable tool for climate uncertainty analysis. Furthermore, by varying many parameters simultaneously, we find that many different combinations of parameter values can produce results consistent with observations, and thus careful analysis of tuning is important. The CESM2–CAM6 PPE is publicly available and extensible to other configurations to address questions of other model processes in the atmosphere and other model components (e.g., coupling to the land surface).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2002

Mesoscale Convective Systems During SCSMEX: Simulations with a Regional Climate Model and a Cloud-Resolving Model

The South China Sea Monsoon Experiment (SCSMEX) was conducted in May-June 1998. One of its major objectives is to better understand the key physical processes for the onset and evolution of the summer monsoon over Southeast Asia and southern China (Lau et al. 2000). Multiple observation platforms (e.g., soundings, Doppler radar, ships, wind seafarers, radiometers, etc.) during SCSMEX provided a first attempt at investigating the detailed characteristics of convection and circulation changes, associated with monsoons over the South China Sea region. SCSMEX also provided precipitation derived from atmospheric budgets (Johnson and Ciesielski 2002) and comparison to those obtained from the Tropical Rainfall Measuring Mission (TRMM). In this paper, a regional climate model and a cloud-resolving model are used to perform multi-day integrations to understand the precipitation processes associated with the summer monsoon over Southeast Asia and southern China. The regional climate model is used to understand the soil - precipitation interaction and feedback associated with a flood event that occurred in and around China's Atlantic River during SCSMEX. Sensitivity tests on various land surface models, cumulus parameterization schemes (CASE), sea surface temperature (SST) variations and midlatitude influences are also performed to understand the processes associated with the onset of the monsoon over the S. China Sea during SCSMEX. Cloud-resolving models (CRMs) use more sophisticated and physically realistic parameterizations of cloud microphysical processes with very fine spatial and temporal resolution. One of the major characteristics of CRMs is an explicit interaction between clouds, radiation and the land/ocean surface. It is for this reason that GEWEX (Global Energy and Water Cycle Experiment) has formed the GCSS (GEWEX Cloud System Study) expressly for the purpose of improving the representation of the moist processes in large-scale models using CRMs. The Goddard Cumulus Ensemble (GCE) model is a CRM and is used to simulate convective systems associated with the onset of the South China Sea monsoon in 1998. The BRUCE model includes the same land surface model, cloud physics, and radiation scheme used in the regional climate model. A comparison between the results from the GCE model and regional climate model is performed.

Tao, W. K.↗
NASA NTRS1984

The structure of the vorticity field in turbulent channel flow. Part 2: Study of ensemble-averaged fields

Several conditional sampling techniques are applied to a data base generated by large-eddy simulation of turbulent channel flow. It is shown that the bursting process is associated with well-organized horseshoe vortices inclined at about 45 deg. to the wall. These vortical structures are identified by examining the vortex lines of three-dimensional, ensemble averaged vorticity fields. Two distinct horseshoe-shaped vortices corresponding to the sweep and ejection events are detected. These vortices are associated with high Reynolds shear stress and hence make a significant contribution to turbulent energy production. The dependency of the ensemble averaged vortical structures on the detection criteria, and the question of whether this ensemble-averaged structure is an artifact of the ensemble averaging process are examined. The ensemble-averaged pattern of these vortical structures that emerge from the analysis could provide the basis for a hypothetical model of the organized structures of wall-bounded shear flows.

Kim, J.↗
NASA NTRS1986

The structure of the vorticity field in turbulent channel flow. II - Study of ensemble-averaged fields

Several conditional sampling techniques are applied to a data base generated by large-eddy simulation of turbulent channel flow. It is shown that the bursting process is associated with well-organized horseshoe vortices inclined at about 45 deg to the wall. These vortical structures are identified by examining the vortex lines of three-dimensional, ensemble averaged vorticity fields. Two distinct horseshoe-shaped vortices corresponding to the sweep and ejection events are detected. These vortices are associated with high Reynolds shear stress and hence make a significant contribution to turbulent energy production. The dependency of the ensemble averaged vortical structures on the detection criteria, and the question of whether this ensemble-averaged structure is an artifact of the ensemble averaging process are examined. The ensemble-averaged pattern of these vortical structures that emerge from the analysis could provide the basis for a hypothetical model of the organized structures of wall-bounded shear flows.

Kim, J.↗
DOE OSTI2025

Fundamental microscopic properties as predictors of large-scale quantities of interest: Validation through grain boundary energy trends

Correlations between fundamental microscopic properties computable from first principles, which we term canonical properties, and complex large-scale quantities of interest (QoIs) provide an avenue to predictive materials discovery. Here, we propose that such correlations can be efficiently discovered through simulations utilizing approximate interatomic potentials (IPs), which serve as an ensemble of “synthetic materials”. As a proof of principle we build a regression model relating canonical properties to the symmetric tilt grain boundary (GB) energy curves in face-centered cubic crystals, characterized by the scaling factor in the universal lattice matching model of Runnels et al. (2016), which we take to be our QoI. Our analysis recovers known correlations of GB energy to other properties and discovers new ones. We also demonstrate, using available density functional theory (DFT) GB energy data, that the regression model constructed from IP data is consistent with DFT results, confirming the assumption that the IPs and DFT belong to same statistical pool and thereby validating the approach. Regression models constructed in this fashion can be used to predict large-scale QoIs based on first-principles data and provide a general method for training IPs for QoIs beyond the scope of first-principles calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Evaluating Large‐Storm Dominance in High‐Resolution GCMs and Observations Across the Western Contiguous United States

Abstract Extreme precipitation events are projected to increase in frequency across much of the land‐surface as the global climate warms, but such projections have typically relied on coarse‐resolution (100–250 km) general circulation models (GCMs). The ensemble of HighResMIP GCMs presents an opportunity to evaluate how a more finely resolved atmosphere and land‐surface might enhance the fidelity of the simulated contribution of large‐magnitude storms to total precipitation, particularly across topographically complex terrain. Here, the simulation of large‐storm dominance, that is, the number of wettest days to reach half of the total annual precipitation, is quantified across the western United States (WUS) using four GCMs within the HighResMIP ensemble and their coarse resolution counterparts. Historical GCM simulations (1950–2014) are evaluated against a baseline generated from station‐observed daily precipitation (4,803 GHCN‐D stations) and from three gridded, observationally based precipitation data sets that are coarsened to match the resolution of the GCMs. All coarse‐resolution simulations produce less large‐storm dominance than in observations across the WUS. For two of the four GCMs, bias in the median large‐storm dominance is reduced in the HighResMIP simulation, decreasing by as much as 62% in the intermountain west region. However, the other GCMs show little change or even an increase (+28%) in bias of median large‐storm dominance across multiple sub‐regions. The spread in differences with resolution amongst GCMs suggests that, in addition to resolution, model structure and parameterization of precipitation generating processes also contribute to bias in simulated large‐storm dominance.

Environmental Sciences & Ecology↗
DOE OSTI2025

Python Library for Monte Carlo Simulations with Ab Initio and Machine-Learned Interatomic Potentials

There is a growing need in the simulation community for software that provides a transparent, reproducible, usable, and extensible (TRUE) Monte Carlo (MC) simulation framework employing energies from ab initio methods and machine-learning interatomic potentials (MLIPs). We introduce a Python library (ASE-MC) that adds Monte Carlo functionality to the Atomic Simulation Environment (ASE) package. Now, we can combine the powerful tools used to build systems and perform ab initio and MLIP in ASE with MC simulation algorithms to sample the configurational space with a concise Python script. After presenting the design philosophy, we demonstrate the flexibility of our approach using selected examples. These example simulations include liquid water described with a message-passing MLIP in the canonical and isothermal–isobaric ensembles, sampling the characteristic dihedral angle of biphenyl and comparing an MLIP to first-principles calculations, and a grand canonical Monte Carlo simulation of ammonia adsorption on Pt(111). These examples showcase the main features of the software, which include flexibility in the choice of ab initio or MLIP engine, ab initio or MLIP grand canonical MC with cavity bias insertions and deletions, the ability to add custom MC moves to the move set, and how users can condense complex MC workflows into a single Python script. Finally, this library serves as a framework for reproducible Monte Carlo simulations, facilitating easy reproduction of the work and application to new systems.

97 MATHEMATICS AND COMPUTING↗