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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

5G Energy FRAME: The Design and Implementation of Data, Model, and Use Case (Year 2 Report)

This report summarizes the Year 2 work of Pacific Northwest National Laboratory’s (PNNL’s) 5G Fabricated Resource and Asset Management Encompassment for energy infrastructure (Energy FRAME) project funded by the Department of Energy Office of Science’s Advanced Scientific Computing Research (ASCR) Program. In this report, newest 5G equipment testing results are presented, along with two 5G-enabled AI/ML examples for grid applications; in addition, the work flow of grid edge, cloud, and High Performance Computing (HPC) platform is introduced, to support and interface the cross-domain simulation for power system transmission, distribution, and communication networks. Last but not least, the outlook for Year 3 work and the overarching impact of 5G Energy FRAME work to a multitude of stakeholders are provided. Additional 5G performance data now is shared through the publicly available weblink, https://www.pnnl.gov/projects/5g-energy-frame/publications

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2019

BisQue for 3D Materials Science in the Cloud: Microstructure–Property Linkages

Accelerating the design and development of new advanced materials is one of the priorities in modern materials science. These efforts are critically dependent on the development of comprehensive materials cyber-infrastructures which enable effcient data storage, management, sharing, and collaboration as well as integration of computational tools that help establish processing{structure{property relationships. In this contribution, we present implementation of such computational tools into a cloud-based platform called BisQue (Kvilekval et al., 2010). We first describe the current state of BisQue as an open-source platform for multidisciplinary research in the cloud and its potential for 3D materials science. We then demonstrate how new computational tools, primarily aimed at processing{structure{property relationships, can be implemented into the system. Speci cally, in this work, we develop a module for BisQue that enables microstructure-sensitive predictions of effective yield strength of two-phase materials. Towards this end, we present an implementation of a computationally effcient data-driven model into the BisQue platform. The new module is made available online and can be used from a web browser without any special software and with minimal computational requirements on the user end. The capabilities of the module for rapid property screening are demonstrated in case studies with two different methodologies based on datasets containing 3D microstructure information from (i) synthetic generation and (ii) sampling large 3D volumes obtained in experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Foldy: An open-source web application for interactive protein structure analysis

Foldy is a cloud-based application that allows non-computational biologists to easily utilize advanced AI-based structural biology tools, including AlphaFold and DiffDock. With many deployment options, it can be employed by individuals, labs, universities, and companies in the cloud without requiring hardware resources, but it can also be configured to utilize locally available computers. Foldy enables scientists to predict the structure of proteins and complexes up to 6000 amino acids with AlphaFold, visualize Pfam annotations, and dock ligands with AutoDock Vina and DiffDock. In our manuscript, we detail Foldy’s interface design, deployment strategies, and optimization for various user scenarios. We demonstrate its application through case studies including rational enzyme design and analyzing proteins with domains of unknown function. Furthermore, we compare Foldy’s interface and management capabilities with other open and closed source tools in the field, illustrating its practicality in managing complex data and computation tasks. Our manuscript underlines the benefits of Foldy as a day-to-day tool for life science researchers, and shows how Foldy can make modern tools more accessible and efficient.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1998

Cloud Scaling Properties and Cloud Parameterization

Cloud liquid and cloud traction variability is studied as a function of horizontal scale in the ECMWF forecast model during several 10-day runs at the highest available model resolution, recently refined from approximately 60 km (T213) down to approximately 20 km (T639). At higher resolutions, model plane-parallel albedo biases are reduced, so that models may be tuned to have larger, more realistic, cloud liquid water amounts, However, the distribution of cloud liquid assumed -within- each gridbox, for radiative and thermodynamic computations, depends on ad hoc assumptions that are not necessarily consistent with observed scaling properties, or with scaling properties produced by the model at larger scales. To study the larger-scale cloud properties, ten locations on the Earth are chosen to coincide with locations having considerable surface data available for validation, and representing a variety of climatic regimes, scaling exponents are determined from a range or scales down to model resolution, and are re-computed every three hours, separately for low, medium and high clouds, as well as column-integrated cloudiness. Cloud variability fluctuates in time, due to diurnal, synoptic and other' processes, but scaling exponents are found to be relatively stable. various approaches are considered for applying computed cloud scaling to subgrid cloud distributions used for radiation, beyond simple random or maximal overlap now in common use. Considerably more work is needed to compare model cloud scaling with observations. This will be aided by increased availability of high-resolution surface, aircraft and satellite data, and by the increasing resolution of global models,

Cahalan, R. F.↗
NASA NTRS2001

Cloud Structure and Cloud-Radiation Interaction: From Smallest Observable Scales (Less than 10 m) to GCM Grid Scales (More than 100 km)

In this presentation we review the fractal nature of internal cloud structure from cm- to km-scales as captured by in-situ probes during long horizontal penetrations by aircraft. We uncover the non-Poissonian spatial distribution of cloud droplets at submeter scales and confirm scale-invariant behavior for large scales. Based on these structural characteristics, we generate simple fractal cloud models that reproduce statistical scaling properties of real clouds. These stochastic models represent a link between nonlinear science, in general, and cloud-radiation interaction, in particular. Next we run three-dimensional radiative transfer computations on these synthetic fractal clouds and compare the structure of the resulting radiation fields with the known structure of the cloud model and with satellite images of real clouds. The different behaviors observed for small and large-scale variabilities will be discussed in detail. We find that while the large-scale fluctuations of the resulting radiation fields resemble those in the original scale-invariant cloud structure, the radiation at small scales is much smoother than its cloud liquid water counterpart. This violates scale-invariance and produces a scale-break at 0.2-0.5 km that is clearly observed in high-resolution satellite data such as from Landsat. Finally, we show how radiative transfer Green function theory in the photon diffusion limit explains (and predicts) the above phenomena of "radiative smoothing."

Marshak, Alexander↗
NASA NTRS2003

Precipitation Processes Developed During ARM (1997), TOGA COARE (1992) GATE (1974), SCSMEX (1998), and KWAJEX (1999): Consistent 3D, Semi-3D and 3D Cloud Resolving Model Simulations

Real clouds and cloud systems are inherently three-dimensional (3D). Because of the limitations in computer resources, however, most cloud-resolving models (CRMs) today are still two-dimensional (2D) have been used to study the response of clouds to large-scale forcing. IN these 3D simulators, the model domain was small, and the integration time was 6 hours. Only recently have 3D experiments been performed for multi-day periods for tropical clouds systems with large horizontal domains at the National Center of Atmospheric Research (NCAR) and at NASA Goddard Space Center. At Goddard, a 3D cumulus Ensemble (GCE) model was used to simulate periods during TOGA COARE, GATE, SCSMEX, ARM, and KWAJEX using a 512 by 512 km domain (with 2-km resolution). The result indicate that surface precipitation and latent heating profiles are very similar between the 2D and 3D GCE model simulation. The major objective of this paper are: (1) to assess the performance of the super-parametrization technique, (2) calculate and examine the surface energy (especially radiation) and water budget, and (3) identify the differences and similarities in the organization and entrainment rates of convection between simulated 2D and 3D cloud systems.

Tao, W.-K.↗
NASA NTRS2003

Precipitation Processes developed during ARM (1997), TOGA COARE (1992), GATE (1974), SCSMEX (1998), and KWAJEX (1999), Consistent 2D, semi-3D and 3D Cloud Resolving Model Simulations

Real clouds and cloud systems are inherently three-dimensional (3D). Because of the limitations in computer resources, however, most cloud-resolving models (CRMs) today are still two-dimensional (2D). A few 3D CRMs have been used to study the response of clouds to large-scale forcing. In these 3D simulations, the model domain was small, and the integration time was 6 hours. The major objectives of this paper are: (1) to assess the performance of the super-parameterization technique (i.e. is 2D or semi-3D CRM appropriate for the super-parameterization?); (2) calculate and examine the surface energy (especially radiation) and water budgets; (3) identify the differences and similarities in the organization and entrainment rates of convection between simulated 2D and 3D cloud systems.

Tao, Wei-Kuo↗
NASA NTRS2003

Precipitation Processes Developed During ARM (1997), TOGA COARE (1992), GATE (1974), SCSMEX (1998), and KWAJEX (1999): Consistent 2D, Semi-3D and 3D Cloud Resolving Model Simulations

Real clouds and cloud systems are inherently three-dimensional (3D). Because of the limitations in computer resources, however, most cloud-resolving models (CRMs) today are still two-dimensional (2D). A few 3D CRMs have been used to study the response of clouds to large-scale forcing. In these 3D simulations, the model domain was small, and the integration time was 6 hours. Only recently have 3D experiments been performed for multi-day periods for tropical cloud systems with large horizontal domains at the National Center for Atmospheric Research (NACAR) and at NASA Goddard Space Flight Center . At Goddard, a 3D Goddard Cumulus Ensemble (GCE) model was used to simulate periods during TOGA COARE, SCSMEX and KWAJEX using 512 by 512 km domain (with 2 km resolution). The results indicate that surface precipitation and latent heating profiles are very similar between the 2D and 3D GCE model simulations. The reason for the strong similarity between the 2D and 3D CRM simulations is that the same observed large-scale advective tendencies of potential temperature, water vapor mixing ratio, and horizontal momentum were used as the main focusing in both the 2D and 3D models. Interestingly, the 2D and 3D versions of the CRM used at CSU showed significant differences in the rainfall and cloud statistics for three ARM cases. The major objectives of this paper are: (1) to assess the performance of the super-parameterization technique, (2) calculate and examine the surface energy (especially radiation) and water budgets, and (3) identify the differences and similarities in the organization and entrainment rates of convection between simulated 2D and 3D cloud systems.

Tao, W-K.↗
NASA NTRS2004

The Impact of Model Configuration and Large-Scale, Upper-Level Forcing on CRM- Simulated Convective Systems

Real clouds and cloud systems are inherently three-dimensional (3D). Because of the limitations in computer resources, however, most cloud-resolving models (CRMs) today are still two-dimensional (2D, see a brief review by Tao 2003). Only recently have 3D experiments been performed for multi-day periods for tropical cloud systems with large horizontal domains at the National Center for Atmospheric Research, at NOAA GFDL, at the U. K. Met. Office, at Colorado State University and at NASA Goddard Space Flight Center (Tao 2003). At Goddard, a 3D Goddard Cumulus Ensemble (GCE) model was used to simulate periods during TOGA COARE (December 19-27, 1992), GATE (September 1-7, 1974), SCSMEX (June 2-11, 1998), ARM (June 26-30, 1997) and KWAJEX (August 7-13, August 18-21, and August 29-September 12, 1999) using a 512 by 512 km domain (with 2-km resolution). The results indicate that surface precipitation and latent heating profiles are similar between the 2D and 3D GCE model simulations. However, there are difference in radiation, surface fluxes and precipitation characteristics. The 2D GCE model was used to perform a long-term integration on ARM/GCSS case 4 (22 days at the ARM Southern Great Plains site in March 2000). Preliminary results showed a large temperature bias in the upper troposphere that had not been seen in previous tropical cases. The major objectives of this paper are: (1) to determine the sensitivities to model configuration (i.e., 2D in west-east, south-north or 3D), (2) to identify the differences and similarities in the organization and entrainment rates of convection between 2D- and 3D-simulated ARM cloud systems, and (3) assess the impact of upper tropospheric forcing on tropical and ARM case 4 cases.

Tao, W.-K.↗
NASA NTRS2004

The Impact of Model Configuration and Large-Scale, Upper-Level Forcing on CRM-Simulated Convective Systems

Real clouds and cloud systems are inherently three-dimensional (3D). Because of the limitations in computer resources, however, most cloud-resolving models (CRMs) today are still two-dimensional (2D, see a brief review by Tao 2003). Only recently have 3D experiments been performed for multi-day periods for tropical cloud systems with large horizontal domains at the National Center for Atmospheric Research, at NOAA GFDL, at the U. K. Met. Office, at Colorado State University and at NASA Goddard Space Flight Center (Tao 2003). At Goddard, a 3D Goddard Cumulus Ensemble (GCE) model was used to simulate periods during TOGA COARE (December 19-27, 1992), GATE (September 1-7, 1974), SCSMEX (June 2-11, 1998), ARM (June 26-30, 1997) and KWAJEX (August 7-13, August 18-21, and August 29-September 12, 1999) using a 512 km domain (with 2-kilometer resolution). The results indicate that surface precipitation and latent heating profiles are similar between the 2D and 3D GCE model simulations. However, there are difference in radiation, surface fluxes and precipitation characteristics. The 2D GCE model was used to perform a long-term integration on ARM/GCSS case 4 (22 days at the ARM southern Great Plains site in March 2000). Preliminary results showed a large temperature bias in the upper troposphere that had not been seen in previous tropical cases. The major objectives of this paper are: (1) to determine the sensitivities to model configuration (ie., 2D in west-east, south-north or 3D), (2) to identify the differences and similarities in the organization and entrainment rates of convection between 2D- and 3D-simulated ARM cloud systems, and (3) assess the impact of upper tropospheric forcing on tropical and ARM case 4 cases.

Tao, W.-K.↗
NASA NTRS2006

Precipitation processes developed during TOGA COARE (1992), GATE (1974), SCSMEX (1998), and KWAJEX (1999): 3D Cloud Resolving Model Simulation

Real clouds and cloud systems are inherently three-dimensional (3D). Because of the limitations in computer resources, however, most cloud-resolving models (CRMs) today are still two-dimensional (2D). A few 3D CRMs have been used to study the response of clouds to large-scale forcing. In these 3D simulations, the model domain was small, and the integration time was 6 hours. Only recently have 3D experiments been performed for multi-day periods for tropical cloud systems with large horizontal domains at the National Center for Atmospheric Research (NCAR), NOAA GFDL, the U.K. Met. Office, Colorado State University and NASA Goddard Space Flight Center. An improved 3D Goddard Cumulus Ensemble (GCE) model was recently used to simulate periods during TOGA COARE (December 19-27, 1992), GATE (september 1-7, 1974), SCSMEX (May 18-26, June 2-11, 1998) and KWAJEX (August 7-13, August 18-21, and August 29-September 12, 1999) using a 512 by 512 km domain and 41 vertical layers. The major objectives of this paper are: (1) to identify the differences and similarities in the simulated precipitation processes and their associated surface and water energy budgets in TOGA COARE, GATE, KWAJEX, and SCSMEX, and (2) to asses the impact of microphysics, radiation budget and surface fluxes on the organization of convection in tropics.

Tao, W.-K.↗
DOE OSTI2019

Expanding the computational frontier of multi-scale atmospheric simulation to advance understanding of low cloud / climate feedbacks. Final Report

This is an accomplishment final report that details the work that the co-PI Marat Khairoutdinov has done in support of the project goals and objectives. It described his work on optimizing the performance of UP-CAM model, tuning its parameters to improve results, and his work on a new approach to superparameterization using dynamically adjusting grid spacing that can potentially improve the global simulations of clouds.

58 GEOSCIENCES↗
DOE OSTI2016

Dynamic Provisioning and Execution of HPC Workflows Using Python

High-performance computing (HPC) workflows over the last several decades have proven to assist in the understanding of scientific phenomena and the production of better products, more quickly, and at reduced cost. However, HPC workflows are difficult to implement and use for a variety of reasons. In this paper, we describe the development of the Python-based cumulus, which addresses many of these barriers. cumulus is a platform for the dynamic provisioning and execution of HPC workflows. cumulus provides the infrastructure needed to build applications that leverage traditional or Cloud-based HPC resources in their workflows. Lastly, we demonstrate the use of cumulus in both web and desktop simulation applications, as well as in an Apache Spark-based analysis application.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1979

Fragmentation in a rotating protostar - A comparison of two three-dimensional computer codes

The collapse of an isothermal protostellar cloud with pressure, gravity, and rotation included is followed with two independent computer codes. For the initial condition, a nonaxisymmetric perturbation of mode m = 2 and 50% amplitude is introduced into a cloud of 1 solar mass with a mean density of 1.44 x 10 to the -17g/cu cm and a uniform angular velocity of 1.6 x 10 to the -12 rad/sec. The collapse is followed through an increase in density of over four orders of magnitude to the point where a binary protostar forms. The agreement between the results of the two calculations is good.

Boss, A. P.↗
NASA NTRS1983

Design and verification of a cloud field optical simulator

A concept and an apparatus designed to investigate the reflected and transmitted distributions of light from optically thick clouds is presented. The Cloud Field Optical Simulator (CFOS) is a laboratory device which utilizes an array of incandescent lamps as a source, simulated clouds made from cotton or styrofoam as targets, and an array of silicon photodiodes as detectors. The device allows virtually any source-target-detector geometry to be examined. Similitude between real clouds and their CFOS cotton or styrofoam counterparts is established by relying on a linear relationship between optical depth and the ratio of reflected to transmitted light for a semiinfinite layer. Comparisons of principal plane radiances observed by the CFOS with Monte Carlo computations for a water cloud at 0.7 micron show excellent agreement. Initial applications of the CFOS are discussed.

Davis, J. M.↗
DOE OSTI2017

Distributed wireless sensing for fugitive methane leak detection

Large scale environmental monitoring requires dynamic optimization of data transmission, power management, and distribution of the computational load. In this work, we demonstrate the use of a wireless sensor network for detection of chemical leaks on gas oil well pads. The sensor network consist of chemi-resistive and wind sensors and aggregates all the data and transmits it to the cloud for further analytics processing. The sensor network data is integrated with an inversion model to identify leak location and quantify leak rates. We characterize the sensitivity and accuracy of such system under multiple well controlled methane release experiments. It is demonstrated that even 1 hour measurement with 10 sensors localizes leaks within 1 m and determines leak rate with an accuracy of 40%. This integrated sensing and analytics solution is currently refined to be a robust system for long term remote monitoring of methane leaks, generation of alarms, and tracking regulatory compliance.

04 OIL SHALES AND TAR SANDS↗
NASA NTRS1982

Design and verification of a cloud field optical simulator

A concept and an apparatus designed to investigate the reflected and transmitted distributions of light from optically thick clouds is presented. The Cloud Field Optical Simulator (CFOS) is a laboratory device which utilizes an array of incandescent lamps as a source, simulated clouds made from cotton or styrofoam as targets, and an array of silicon photodiodes as detectors. The device allows virtually any source-target-detector geometry to be examined. Similitude between real clouds and their CFOS cotton or styrofoam counterparts is established by relying on a linear relationship between optical depth and the ratio of reflected to transmitted light for a semi-infinite layer. Comparisons of principal plane radiances observed by the CFOS with Monte Carlo computations for a water cloud at 0.7 microns show excellent agreement.

Davis, J. M.↗