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NASA NTRS2005

Use of Dual-wavelength Radar for Snow Parameter Estimates

Use of dual-wavelength radar, with properly chosen wavelengths, will significantly lessen the ambiguities in the retrieval of microphysical properties of hydrometeors. In this paper, a dual-wavelength algorithm is described to estimate the characteristic parameters of the snow size distributions. An analysis of the computational results, made at X and Ka bands (T-39 airborne radar) and at S and X bands (CP-2 ground-based radar), indicates that valid estimates of the median volume diameter of snow particles, D(sub 0), should be possible if one of the two wavelengths of the radar operates in the non-Rayleigh scattering region. However, the accuracy may be affected to some extent if the shape factors of the Gamma function used for describing the particle distribution are chosen far from the true values or if cloud water attenuation is significant. To examine the validity and accuracy of the dual-wavelength radar algorithms, the algorithms are applied to the data taken from the Convective and Precipitation-Electrification Experiment (CaPE) in 1991, in which the dual-wavelength airborne radar was coordinated with in situ aircraft particle observations and ground-based radar measurements. Having carefully co-registered the data obtained from the different platforms, the airborne radar-derived size distributions are then compared with the in-situ measurements and ground-based radar. Good agreement is found for these comparisons despite the uncertainties resulting from mismatches of the sample volumes among the different sensors as well as spatial and temporal offsets.

Liao, Liang↗

DOE OSTI2021

Visible-light Phase Curves from the Second Year of the TESS Primary Mission

We carried out a systematic study of full-orbit phase curves for known transiting systems in the northern ecliptic sky that were observed during Year 2 of the TESS primary mission. We applied the same methodology for target selection, data processing, and light-curve fitting as we did in our Year 1 study. Out of the 15 transiting systems selected for analysis, seven—HAT-P-7, KELT-1, KELT-9, KELT-16, KELT-20, Kepler-13A, and WASP-12—show statistically significant secondary eclipses and day–night atmospheric brightness modulations. Small eastward dayside hot-spot offsets were measured for KELT-9b and WASP-12b. KELT-1, Kepler-13A, and WASP-12 show additional phase-curve variability attributed to the tidal distortion of the host star; the amplitudes of these signals are consistent with theoretical predictions. We combined occultation measurements from TESS and Spitzer to compute dayside brightness temperatures, TESS-band geometric albedos, Bond albedos, and phase integrals for several systems. The new albedo values solidify the previously reported trend between dayside temperature and geometric albedo for planets with 1500 K < T {sub day} < 3000 K. For Kepler-13Ab, we carried out an atmospheric retrieval of the full secondary eclipse spectrum, which revealed a noninverted temperature–pressure profile, significant H{sub 2}O and K absorption in the near-infrared, evidence for strong optical atmospheric opacity due to sodium, and a confirmation of the high geometric albedo inferred from our simpler analysis. We explore the implications of the phase integrals (ratios of Bond to geometric albedos) for understanding exoplanet clouds. We also report updated transit ephemerides for all of the systems studied in this work.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1992

Polarization Lidar Liquid Cloud Detection Algorithm for Winter Mountain Storms

We have collected an extensive polarization lidar dataset from elevated sites in the Tushar Mountains of Utah in support of winter storm cloud seeding research and experiments. Our truck-mounted ruby lidar collected zenith, dual-polarization lidar data through a roof window equipped with a wiper system to prevent snowfall accumulation. Lidar returns were collected at a rate of one shot every 1 to 5 min during declared storm periods over the 1985 and 1987 mid-Jan. to mid-Mar. Field seasons. The mid-barrier remote sensor field site was located at 2.57 km MSL. Of chief interest to weather modification efforts are the heights of supercooled liquid water (SLW) clouds, which must be known to assess their 'seedability' (i.e., temperature and height suitability for artificially increasing snowfall). We are currently re-examining out entire dataset to determine the climatological properties of SLW clouds in winter storms using an autonomous computer algorithm.

Sassen, Kenneth↗

NASA NTRS1997

Global Pattern of Potential Evaporation Calculated from the Penman-Monteith Equation Using Satellite and Assimilated Data

Potential evaporation (E(0)) has been found to be useful in many practical applications and in research for setting a reference level for actual evaporation. All previous estimates of regional or global E(0) are based upon empirical formulae using climatologic meteorologic measurements at isolated stations (i.e., point data). However, the Penman-Monteith equation provides a physically based approach for computing E(0), and by comparing 20 different methods of estimating E(0), Jensen et al. (1990) showed that the Penman-Monteith equation provides the most accurate estimate of monthly E(0) from well-watered grass or alfalfa. In the present study, monthly total E(0) for 24 months (January 1987 to December 1988) was calculated from the Penman-Monteith equation, with prescribed albedo of 0.23 and surface resistance of 70 s/m, which are considered to be representative of actively growing well-watered grass covering the ground. These calculations have been done using spatially representative data derived from satellite observations and data assimilation results. Satellite observations were used to obtain solar radiation, fractional cloud cover, air temperature, and vapor pressure, while four-dimensional data assimilation results were used to calculate the aerodynamic resistance. Meteorologic data derived from satellite observations were compared with the surface measurements to provide a measure of accuracy. The accuracy of the calculated E(0) values was assessed by comparing with lysimeter observations for evaporation from well-watered grass at 35 widely distributed locations, while recognizing that the period of present calculations was not concurrent with the lysimeter measurements and the spatial scales of these measurements and calculations are vastly different. These comparisons suggest that the error in the calculated E(0) values may not be exceeded, on average, 20% for any month or location, but are more likely to be about 15%. These uncertainties are difficult to quantify for mountainous areas or locations close to extensive water bodies. The difference between the calculated and observed E(0) is about 5% when all month and locations were considered. Errors are expected to be less than 15% for averages of E(0) over large areas or several months. Further comparisons with lysimeter observations could provide a better appraisal of the calculated values. Global pattern of E(0) was presented, together with zonal average values.

Choudhury, Bhaskar J.↗

NASA NTRS2021

The CHIMAERA System for Retrievals of Cloud Top, Optical and Microphysical Properties from Imaging Sensors

Continuity and consistency of geophysical retrieval products obtained from different Earth-observing spaceborne or airborne atmospheric multispectral imagers can be challenging due to inherent differences in the instruments and/or the use of different retrieval algorithms. The Cross-platform HIgh resolution Multi-instrument AtmosphEric Retrieval Algorithms (CHIMAERA) system addresses the latter aspect of the inter-sensor continuity problem for cloud property retrievals by removing retrieval methodology and implementation as a source of inconsistency when applied to instruments that share common measurement capabilities. Transferring an existing retrieval algorithm to a new sensor oftentimes is a nontrivial task, as it is common for an algorithm code to be tightly coupled to the sensor for which it was developed. By creating a clear division between the science algorithm and the instrument I/O codes, CHIMAERA allows easy migration of science algorithms to different sensors. CHIMAERA is built from C and FORTRAN source code, and can operate in a variety of environments ranging from a personal laptop to a high-performance computing environment for near real-time satellite data production. It is highly adaptable, low-maintenance and allows for easy expansion such that adding new instruments into the system requires only instrument-specific I/O and provision of any external lookup tables specific to the instrument's spectral characteristics. CHIMAERA currently supports 14 spaceborne and airborne atmospheric imagers from a single code base, and has been in use since 2007. In this paper we describe the engineering aspects of CHIMAERA and briefly discuss a few examples from its many current applications.

Galina (Gala) Wind↗

NASA NTRSDate not supplied

Surface and Atmospheric Shortwave Radiative Fluxes From ISCCP Data and Fu-Liou Algorithm at Higher Spatial and Vertical Resolution

NASA/GEWEX Surface Radiation Budget (SRB) has provided surface and TOA shortwave and longwave radiative fluxes using International Satellite Cloud Climatology data as the primary input. Release 4.0 came out in 2019, with data from July 1983 through June 2017, and improved validation stats relative to Release 3.0 (Stackhouse et al., 2012). Release 4.0 used the newly reprocessed ISCCP H data set. The shortwave algorithm for versions 3 and 4 has been based on the Pinker and Laszlo (1992) algorithm, which relies on the satellite-measured shortwave radiance to produce a TOA albedo. This background TOA albedo is made utilizing the background clear-sky visible radiance (called clear-sky composite radiance in the ISCCP data) and applying narrowband-to-broadband angular distribution models. Using a climatological aerosol assumption, the surface albedo is estimated using radiative transfer based (i.e., Fu/Liou radiative transfer model; Fu and Liou, 1993) look-up tables. Using this surface albedo and an instantaneous TOA albedo, the look-up tables are used to adjust both the aerosol optical depth (for clear sky) and cloud optical depth (for cloudy sky) for each scene. These properties and look up tables are then used to generate surface fluxes. While this has worked well to provide useful fluxes, it has occasionally resulted in inaccurate direct and diffuse surface SW fluxes due to the overreliance on aerosol optical depth. With increased computational power and storage now available, a more direct approach is now possible. Here we present a different approach for a future high resolution SRB Release 5.0. We replace the Pinker-Laszlo lookup table approach with a forward call to the Fu-Liou radiative transfer model as modified by the CERES team (Rose et al., 2006). In addition to being a proven radiation code, Fu-Liou allows the calculation of fluxes at different atmospheric levels and spectral bands, which will provide more insight into the surface radiation budget, its variability and attribution. It is expected that horizontal resolution will increase to at least 0.5°x0.5° from the current 1°x1°. Here we demonstrate a preliminary look at the next SRB, and show comparisons with the current release.

Earth Radiation Budget↗

DOE OSTI2019

A cloud computing approach to massively-parallel distributed stochastic optimization with application to geomechanical reservoir characterization

Many search strategies used to optimize parameters during hydrologic model calibration are inherently limited in that simulations must be performed sequentially in order for the algorithm to converge. As a result, the overall time required to reach a solution increases linearly with the number of steps necessary. In contrast, sampling strategies that attempt to approximate the posterior distribution of the parameters do not require the model simulations to be run in sequence and therefore invite the use of a massively parallel approach across heterogeneous computing environments. We apply a cloud computing methodology to this problem where a head node running on Amazon Web Services continuously produces candidate models that are distributed to arbitrary compute environments to run the simulation, in our case Clemson’s Palmetto cluster computer. Thus the time required to obtain a sufficient number of samples to produce an adequate approximation of the posterior distribution of the parameters is limited by the number of available compute sites. Monte Carlo sampling of the posterior space would be duplicative and inefficient, thus we combine Latin hypercube methods with genetic algorithms to ensure that no large regions of the parameter space are left unexplored, and that high probability regions are investigated thoroughly. We independently assess the fit to different types of data sets without the need to construct a single objective function. Sets of Pareto optimal models are particularly valuable when the quality and information content of data is poorly known or conceptual model errors exist in our simulation. We illustrate our approach for a problem where in situ strain data are used to calibrate the parameters of an oil reservoir in the Avant oil field in Oklahoma. We use well injection and shut-in to stress a deep (500m) confined formation, and observe the geomechanical response using borehole strainmeters installed in the shallow subsurface (30m). These data were then used to calibrate the poroelastic properties of the reservoir and caprock along with the geometry of an elliptic channel associated with the formation. Using our approach we are able to identify issues with model error as well as substantial tradeoffs that occur within the parameters.

inversion, stochastic, geomechanics, poroelastic, ↗

NASA NTRS2009

Controlling Infrastructure Costs: Right-Sizing the Mission Control Facility

Johnson Space Center's Mission Control Center is a space vehicle, space program agnostic facility. The current operational design is essentially identical to the original facility architecture that was developed and deployed in the mid-90's. In an effort to streamline the support costs of the mission critical facility, the Mission Operations Division (MOD) of Johnson Space Center (JSC) has sponsored an exploratory project to evaluate and inject current state-of-the-practice Information Technology (IT) tools, processes and technology into legacy operations. The general push in the IT industry has been trending towards a data-centric computer infrastructure for the past several years. Organizations facing challenges with facility operations costs are turning to creative solutions combining hardware consolidation, virtualization and remote access to meet and exceed performance, security, and availability requirements. The Operations Technology Facility (OTF) organization at the Johnson Space Center has been chartered to build and evaluate a parallel Mission Control infrastructure, replacing the existing, thick-client distributed computing model and network architecture with a data center model utilizing virtualization to provide the MCC Infrastructure as a Service. The OTF will design a replacement architecture for the Mission Control Facility, leveraging hardware consolidation through the use of blade servers, increasing utilization rates for compute platforms through virtualization while expanding connectivity options through the deployment of secure remote access. The architecture demonstrates the maturity of the technologies generally available in industry today and the ability to successfully abstract the tightly coupled relationship between thick-client software and legacy hardware into a hardware agnostic "Infrastructure as a Service" capability that can scale to meet future requirements of new space programs and spacecraft. This paper discusses the benefits and difficulties that a migration to cloud-based computing philosophies has uncovered when compared to the legacy Mission Control Center architecture. The team consists of system and software engineers with extensive experience with the MCC infrastructure and software currently used to support the International Space Station (ISS) and Space Shuttle program (SSP).

Martin, Keith↗

NASA NTRS2014

TPSAS-NF1676L-19256-DND

The NASA/GEWEX (Global Energy and Water Exchanges project) Surface Radiation Budget (SRB) project produces longwave and shortwave radiative fluxes for the surface and top-of-atmosphere (TOA) (see, Stackhouse et al., 2011, GEWEX News). The primary inputs of cloud and meteorology data have been undergoing improvements in quality and spatial and temporal resolution. In anticipation of the release of these data, the SRB longwave flux algorithm has been updated both to accommodate these data and to improve the algorithm used in deriving radiative fluxes. Changes in the inputs and algorithm are as follows: - Synchronized algorithm with version used by NASA CERES (Rose et al. 2006). - Atmospheric aerosols were added. - Beta version of ISCCP H cloud properties used. - Beta version of ISCCP nnHIRS temperature and humidity used. - Option of using a newly derived beta Princeton land surface temperature and diurnal Seaflux sea surface temperature as surface skin temperature added - Updated ozone profile with GISS ozone and MEaSUREs GOZCARDS. - Updated maps of surface topography, vegetation type, and snow/ice by ISCCP. The beta GLW v4 IP has enhanced the output fluxes by adding pristine-sky (no clouds or aerosols) fluxes. The new version also computes fluxes at selected atmospheric levels (including the tropopause) rather than just at the surface and TOA. The purpose of this study is to explore the effect of the above changes on the surface and top-of-atmosphere fluxes. These fluxes are compared to the previous version (release 3.1). We show preliminary results for the mid-seasonal months of 2007.

J Colleen Mikovitz↗

DOE OSTI2016

Mie Scattering Analysis

Mie scattering theory describes how light scatters on a particle cloud when the particle size is approximately the same as the wavelength of scattered light. Assuming the particles generated in an ejecta experiment are spherical, one goal of such experiments is to determine the particle radii distribution, which in theory can be done by measuring intensities of scattered light at several different angles. The purpose of this report is the present an assessment of how closely the analysis of Mie scattering data in practice rejects the theoretical possibilities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Use of MERRA-2 in the National Solar Radiation Database and Beyond

The National Solar Radiation Database (NSRDB) is a flagship product of NREL that provides solar radiation and ancillary meteorological information through a GIS based portal. This data is provided at a 4kmx4km spatial and 30 minute temporal resolution covering the period between 1998-2015. The gridded data that is distributed by the NSRDB is derived from satellite measurements using the Physical Solar Model (PSM) that contains a 2-stage approach. This 2-stage approach consists of first retrieving cloud properties using measurement from the GOES series of satellites and using that information in a radiative transfer model to estimate solar radiation at the surface. In addition to the satellite data the model requires ancillary meteorological information that is provided mainly by NASA's Modern Era Retrospecitve Analysis for Research and Applications (MERRA-2) 2 model output. This presentation provides an insight into how the NSRDB is developed using the PSM and how the various sources of data including the MERRA-2 data is used during the process.

14 SOLAR ENERGY↗

DOE OSTI2016

Characterization of 3D Cirrus Cloud and Radiation Fields Using ARS/AIRS/MODIS data and its Application to Climate Model

During the report period, we have made the following research accomplishments. First, we performed analysis for a number of MODIS scenes comprising of heavy dust events and ice clouds, covering regions of frequent dust outbreaks in East Asia, Middle East, and West Africa, as well as areas associated with long-range dust transports over the Equatorial Tropical Atlantic Ocean. These scenes contain both dust/aerosols and clouds. We collected suitable aerosol/ice-cloud data, correlated ice cloud and aerosol parameters by means of statistical analysis, and interpreted resulting correlation trends based on the physical principles governing cloud microphysics. Aerosol and cloud optical depths and cloud effective particle size inferred from MODIS for selected domains were analyzed from which the parameters including dust aerosol number concentration, ice cloud water path, and ice particle number concentration were subsequently derived. We illustrated that the Twomey (solar albedo) effect can be statistically quantified based on the slope of best-fit straight lines in the correlation study. Analysis of aerosol and cloud retrieval products revealed that for all cases, the region with a larger dust aerosol optical depth is always characterized by a smaller cloud particle size, consistent with the Twomey hypothesis for aerosol-cloud interactions. Second, we developed mean correlation curves with uncertainties associated with small ice-crystal concentration observations for the mean effective ice crystal size (De) and ice water content (IWC) by dividing the atmosphere into three characteristic regions: Tropics cirrus, Midlatitude cirrus, including a temperature classification to improve correlation, and Arctic ice clouds. We illustrated that De has a high correlation with IWC based on theoretical consideration and analysis of thousands of observed ice crystal data obtained from a number of ARM-DOE field campaigns and other experiments. The correlation has the form: ln(De) = a + b ln(IWC) + c ((ln(IWC))2, where a, b, and c are fitting coefficients and are functions of three regions. We demonstrated that this correlation can be effectively incorporated in GCMs and climate models that predict IWC - a significant advance in ice microphysics parameterization for interactive cloud-radiation analysis and feedback. Substantial July mean differences are shown in the OLR (W/m2) and precipitation (mm/day) patterns between UCLA GCM simulations based on Des determined from the De-IWC correlations and the control run using a fixed ice crystal size. Third, in order to improve the computation of spectral radiative transfer processes in the WRF model, we developed a consistent and efficient radiation scheme that can better resolve the spectral bands, determine the cloud optical properties, and provide more reliable and accurate radiative heating fields. In the newly developed radiation module, we have implemented in WRF a modified and improved version referred to as the Fu-Liou-Gu scheme, which includes a combination of delta-four-stream and delta-two-stream approximations for solar and IR flux calculations, respectively. This combination has been proven to be computationally efficient and at the same time to produce a high degree of accuracy. The incorporation of nongray gaseous absorption in multiple scattering atmospheres was based on the correlated k-distribution method. The solar and IR spectra are divided into 6 and 12 bands, respectively, according to the location of absorption bands of H2O, CO2, O3, CH4, N2O, and CFCs. We further included absorption by the water vapor continuum and a number of minor absorbers in the solar spectrum leading to an additional absorption of solar flux in a clear atmosphere on the order of 1-3 W/m2. Additionally, we incorporated the ice microphysics parameterization that includes an interactive mean effective ice crystal size in association with radiation parameterizations. The Fu-Liou-Gu scheme is an ideal tool for the simulation of radiative transfer and ice microphysics within the domain of WRF. It is particularly useful for studying direct and indirect aerosol radiative effects associated with ice cloud formation. The newly implemented radiation module has been demonstrated to work well in WRF and can be effectively used for studies related to cirrus cloud formation and evolution as well as aerosol-cloud-radiation interactions. With the newly implemented radiation scheme, the simulations of cloud cover and ice water path have been improved for cirrus clouds, with a more consistent comparison with the corresponding MODIS observations, especially for optically thin cirrus with an improvement of about 20% in the simulated mean ice water path.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Development of a Miniaturized Mobile Mapping System for In-Row, Under-Canopy Phenotyping

This paper focuses on the development of a miniaturized mobile mapping platform with advantages over current agricultural phenotyping systems in terms of acquiring data that facilitate under-canopy plant trait extraction. The system is based on an unmanned ground vehicle (UGV) for in-row, under-canopy data acquisition to deliver accurately georeferenced 2D and 3D products. The paper addresses three main aspects pertaining to the UGV development: (a) architecture of the UGV mobile mapping system (MMS), (b) quality assessment of acquired data in terms of georeferencing information as well as derived 3D point cloud, and (c) ability to derive phenotypic plant traits using data acquired by the UGV MMS. The experimental results from this study demonstrate the ability of the UGV MMS to acquire dense and accurate data over agricultural fields that would facilitate highly accurate plant phenotyping (better than above-canopy platforms such as unmanned aerial systems and high-clearance tractors). Plant centers and plant count with an accuracy in the 90% range have been achieved.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Physics informed deep neural network embedded in a chemical transport model for the Amazon rainforest

Secondary organic aerosols (SOA) are fine particles in the atmosphere, which interact with clouds, radiation and affect the Earth’s energy budget. SOA formation involves chemistry in gas phase, aqueous aerosols, and clouds. Simulating these chemical processes involve solving a stiff set of differential equations, which are computationally expensive steps for three-dimensional chemical transport models. Deep neural networks (DNNs) are universal function approximators that could be used to represent the complex nonlinear changes in aerosol physical and chemical processes; however, key challenges such as generalizability to extended time periods, preservation of mass balance, simulating sparse model outputs, and maintaining physical constraints have limited their use in atmospheric chemistry. Here, we develop an approach of using a physics-informed DNN that overcomes previous such challenges and demonstrates its applicability for the chemical formation processes of isoprene epoxydiol SOA (IEPOX-SOA) over the Amazon rainforest. The DNN is trained with data generated by simulating IEPOX-SOA over the entire atmospheric column, using the Weather Research and Forecasting Model coupled with Chemistry (WRF-Chem). The trained DNN is then embedded within WRF-Chem to replace the computationally expensive default solver of IEPOX-SOA formation. The trained DNN predictions generalizes well with the default model simulation of the IEPOX-SOA mass concentrations and its size distribution (20 size bins) over several days of simulations in both dry and wet seasons. The embedded DNN reduces the computational expense of WRF-Chem by a factor of 2. Our approach shows promise in terms of application to other computationally expensive chemistry solvers in climate models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2012

The NEAMS Integrated Computational Environment (NiCE)

Many new, high-performance nuclear energy modeling and simulation tools are under development in the United States and many more existing projects are moving to high-performance computing. This shift to state-of-the-art modeling and simulation will not only result in an unprecedented use of computing resources but it will generate extremely large amounts of data in extraordinary detail. Domain scientists will find themselves simultaneously in two positions: managing the complexity of their own problem domain and managing the complexity of a nightmarish scenario of high-performance computational tools. We believe that the computational science community should develop integrated tools for coupling, working with and analyzing data from simulation codes instead of leaving domains scientists and students to fend for themselves and come up with a working solution. While many projects offer some set of tools to work with their codes, to launch jobs remotely or to setup input files, most of these tools are rarely integrated in a holistic way to provide an easy, common and high-productivity environment for users. For that matter, most remote jobs are launched on the machine in the other room, but that certainly will not work for larger problems that require Leadership Class computing resources found only at U.S. National Laboratories or similar facilities. Overcoming the challenges of launching on these machines and even on public or private clouds are left as a challenge to the user.

Source record↗

NASA NTRS2009

Airframe Icing Research Gaps: NASA Perspective

qCurrent Airframe Icing Technology Gaps: Development of a full 3D ice accretion simulation model. Development of an improved simulation model for SLD conditions. CFD modeling of stall behavior for ice-contaminated wings/tails. Computational methods for simulation of stability and control parameters. Analysis of thermal ice protection system performance. Quantification of 3D ice shape geometric characteristics Development of accurate ground-based simulation of SLD conditions. Development of scaling methods for SLD conditions. Development of advanced diagnostic techniques for assessment of tunnel cloud conditions. Identification of critical ice shapes for aerodynamic performance degradation. Aerodynamic scaling issues associated with testing scale model ice shape geometries. Development of altitude scaling methods for thermal ice protections systems. Development of accurate parameter identification methods. Measurement of stability and control parameters for an ice-contaminated swept wing aircraft. Creation of control law modifications to prevent loss of control during icing encounters. 3D ice shape geometries. Collection efficiency data for ice shape geometries. SLD ice shape data, in-flight and ground-based, for simulation verification. Aerodynamic performance data for 3D geometries and various icing conditions. Stability and control parameter data for iced aircraft configurations. Thermal ice protection system data for simulation validation.

Potapczuk, Mark↗

DOE OSTI2012

The NEAMS Integrated Computational Environment (NiCE)

Many new, high-performance nuclear energy modeling and simulation tools are under development in the United States and many more existing projects are moving to high-performance computing. This shift to state-of-the-art modeling and simulation will not only result in an unprecedented use of computing resources but it will generate extremely large amounts of data in extraordinary detail. Domain scientists will find themselves simultaneously in two positions: managing the complexity of their own problem domain and managing the complexity of a nightmarish scenario of high-performance computational tools. We believe that the computational science community should develop integrated tools for coupling, working with and analyzing data from simulation codes instead of leaving domains scientists and students to fend for themselves and come up with a "working" solution. While many projects offer some set of tools to work with their codes, to launch jobs remotely or to setup input files, most of these tools are rarely integrated in a holistic way to provide an easy, common and high-productivity environment for users. For that matter, most remote jobs are launched on "the machine in the other room," but that certainly will not work for larger problems that require Leadership Class computing resources found only at U.S. National Laboratories or similar facilities. Overcoming the challenges of launching on these machines and even on public or private "clouds" are left as a challenge to the user.

Source record↗

DOE OSTI2020

Deep Generative Models that Solve PDEs: Distributed Computing for Training Large Data-Free Models

Recent progress in scientific machine learning (SciML) has opened up the possibility of training novel neural network architectures that solve complex partial differential equations (PDEs). Several (nearly data free) approaches have been recently reported that successfully solve PDEs, with examples including deep feed forward networks, generative networks, and deep encoder-decoder networks. However, practical adoption of these approaches is limited by the difficulty in training these models, especially to make predictions at large output resolutions (≥1024×1024). Here we report on a software framework for data parallel distributed deep learning that resolves the twin challenges of training these large SciML models - training in reasonable time as well as distributing the storage requirements. Our framework provides several out of the box functionality including (a) loss integrity independent of number of processes, (b) synchronized batch normalization, and (c) distributed higher-order optimization methods. We show excellent scalability of this framework on both cloud as well as HPC clusters, and report on the interplay between bandwidth, network topology and bare metal vs cloud. We deploy this approach to train generative models of sizes hitherto not possible, showing that neural PDE solvers can be viably trained for practical applications. We also demonstrate that distributed higher-order optimization methods are 2-3× faster than stochastic gradient-based methods and provide minimal convergence drift with higher batch-size.

PDEs↗