Search NASA⌕ Search

SEARCH · Search NASA

Results for “Projection scheme”

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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

The Galah Survey: Classification and Diagnostics with t-SNE Reduction of Spectral Information

Galah is an ongoing high-resolution spectroscopic survey with the goal of disentangling the formation history of the Milky Way using the fossil remnants of disrupted star formation sites that are now dispersed around the Galaxy. It is targeting a randomly selected magnitude-limited ( V ≤ 14) sample of stars, with the goal of observing one million objects. To date, 300,000 spectra have been obtained. Not all of them are correctly processed by parameter estimation pipelines, and we need to know about them. We present a semi-automated classification scheme that identifies different types of peculiar spectral morphologies in an effort to discover and flag potentially problematic spectra and thus help to preserve the integrity of the survey results. To this end, we employ the recently developed dimensionality reduction technique t-SNE ( t -distributed stochastic neighbor embedding), which enables us to represent the complex spectral morphology in a two-dimensional projection map while still preserving the properties of the local neighborhoods of spectra. We find that the majority (178,483) of the 209,533 Galah spectra considered in this study represents normal single stars, whereas 31,050 peculiar and problematic spectra with very diverse spectral features pertaining to 28,579 stars are distributed into 10 classification categories: hot stars, cool metal-poor giants, molecular absorption bands, binary stars, H α /H β emission, H α /H β emission superimposed on absorption, H α /H β P-Cygni, H α /H β inverted P-Cygni, lithium absorption, and problematic. Classified spectra with supplementary information are presented in the catalog, indicating candidates for follow-up observations and population studies of the short-lived phases of stellar evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

The Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP): Overview and Description of Models, Simulations and Climate Diagnostics

The Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP) consists of a series of timeslice experiments targeting the long-term changes in atmospheric composition between 1850 and 2100, with the goal of documenting radiative forcing and the associated composition changes. Here we introduce the various simulations performed under ACCMIP and the associated model output. The ACCMIP models have a wide range of horizontal and vertical resolutions, vertical extent, chemistry schemes and interaction with radiation and clouds. While anthropogenic and biomass burning emissions were specified for all time slices in the ACCMIP protocol, it is found that the natural emissions lead to a significant range in emissions, mostly for ozone precursors. The analysis of selected present-day climate diagnostics (precipitation, temperature, specific humidity and zonal wind) reveals biases consistent with state-of-the-art climate models. The model-to-model comparison of changes in temperature, specific humidity and zonal wind between 1850 and 2000 and between 2000 and 2100 indicates mostly consistent results, but with outliers different enough to possibly affect their representation of climate impact on chemistry.

(ACCMIP)↗
DOE OSTI2021

Adaptive protection opportunities, gap assessments, and designs

This report provides a comprehensive overview of adaptive protection schemes in use by distribution systems for protection, switching and control on their systems. A significant focus is placed on how existing schemes can be impacted by increasing penetrations of DER as well as how these schemes can enable DER penetrations to increase. EPRI have conducted a survey of member utilities and performed a comprehensive literature review with the goal of baselining the research and identifying gaps with a focus on the issues that were encountered with adaptive protection on real systems. The five adaptive protection applications that are most prevalent on systems today are discussed in detail. These are weather-based fuse-saving, adaptive protection to reduce short-circuit current, adaptive protection for DER, adaptive protection for microgrids, and distribution automation. A broad overview of the technology is given for each scheme. Issues that have been encountered by utilities are highlighted and the safety and reliability impacts are also examined. As distribution systems, intelligent electronic devices, grid equipment and distribution management systems are rapidly evolving, adaptive protection techniques and technologies will become more widely adopted. This report proposes a framework for a conceptual automatic adaptive protection system. EPRI have ongoing research, development and demonstration projects in all of the constituent elements, however challenges remain to link the elements together in a secure and reliable way. EPRI will continue research into automated adaptive protection applications and challenges for the systems of today and future applications to assist system operators in managing the evolving system.

14 SOLAR ENERGY↗
DOE OSTI2014

Current generation by helicons and LH waves in modern tokamaks and reactors FNSF-AT, ITER and DEMO. Scenarios, modeling and antennae

The Innovative concept and 3D full wave code modeling Off-axis current drive by RF waves in large scale tokamaks, reactors FNSF-AT, ITER and DEMO for steady state operation with high efficiency was proposed [1] to overcome problems well known for LH method [2]. The scheme uses the helicons radiation (fast magnetosonic waves at high (20–40) IC frequency harmonics) at frequencies of 500–1000 MHz, propagating in the outer regions of the plasmas with a rotational transform. It is expected that the current generated by Helicons will help to have regimes with negative magnetic shear and internal transport barrier to ensure stability at high normalized plasma pressure β{sub N} > 3 (the so-called Advanced scenarios) of interest for FNSF and the commercial reactor. Modeling with full wave three-dimensional codes PSTELION and STELEC2 showed flexible control of the current profile in the reactor plasmas of ITER, FNSF-AT and DEMO [2,3], using multiple frequencies, the positions of the antennae and toroidal waves slow down. Also presented are the results of simulations of current generation by helicons in tokamaks DIII-D, T-15MD and JT-60SA [3]. In DEMO and Power Plant antenna is strongly simplified, being some analoge of mirrors based ECRF launcher, as will be shown. For spherical tokamaks the Helicons excitation scheme does not provide efficient Off-axis CD profile flexibility due to strong coupling of helicons with O-mode, also through the boundary conditions in low aspect machines, and intrinsic large amount of trapped electrons, as is shown by STELION modeling for the NSTX tokamak. Brief history of Helicons experimental and modeling exploration in straight plasmas, tokamaks and tokamak based fusion Reactors projects is given, including planned joint DIII-D – Kurchatov Institute experiment on helicons CD [1].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Final Report An in situ, streaming, data- and compute-intensive platform for experimental data

Data-intensive and compute-intensive applications are the two essential methods supporting the scientific discovery process. Until recently, the development of technologies supporting the corresponding schemes evolved along two independent paths. Born and matured before the Big Data era, high-performance computing (HPC) scientific-oriented applications were not designed for Big Data streaming frameworks. But an efficient processing framework offered by the Spark computational platform has resolved many of the barriers to enable compute-intensive applications from within a data-intensive environment. Our Phase I project extended Spark with pipelines that utilize HPC applications. As a result, the project immediately addressed emerging high-throughput experiments driven by a new generation of X-ray instruments. After successful completion of Phase I, we are in a strong position for proposing a successful Phase II project.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

The impact of cloud microphysics and ice nucleation on Southern Ocean clouds assessed with single-column modeling and instrument simulators

Abstract. Supercooled liquid clouds are common at higher latitudes (especially over the Southern Ocean) and are critical for constraining climate projections. We take advantage of the Macquarie Island Cloud and Radiation Experiment (MICRE) to perform an analysis of observed and simulated cloud processes over the Southern Ocean in a region and season dominated by supercooled liquid clouds. Using a single-column version of the European Centre for Medium-Range Weather Forecasts (ECMWF) Integrated Forecast System (IFS), we compare two different cloud microphysical schemes to ground-based observations of cloud, precipitation, and radiation over a 2.5-month period (1 January–17 March 2017). Both schemes are able to reproduce aspects of the cloud and radiation observations during MICRE to within the uncertainty of the data when the thermodynamic profile is prescribed with relaxation. There are differences in water mass and representation of reflectivity between the schemes. A sensitivity study of the cloud microphysics schemes, one a bulk one-moment scheme and the other a two-moment scheme with prediction of mass and number, indicates that several key processes create differences between the schemes. Surface radiative fluxes and total water path are highly sensitive to the formation and fall speed of precipitation. The prediction of hydrometeor number with the two-moment scheme yields a better comparison with observed reflectivity and radiative fluxes, despite predicting higher liquid water contents than observed. With the two-moment scheme, we are also able to test the sensitivity of the results to the input of liquid cloud condensation nuclei (CCN) and ice nuclei (IN). The cloud properties and resulting radiative effects are found to be sensitive to the CCN and IN concentrations. More CCN and IN increase liquid and ice water paths, respectively. Thus, both the dynamic environment and aerosols, integrated through the cloud microphysics, are important for properly representing Southern Ocean cloud radiative effects.

58 GEOSCIENCES↗
NASA NTRS1992

Early Track NEP system options for SEI missions

A development option for nuclear electric propulsion, the 'Early Track' option, is considered from system and mission application viewpoints. The intent of this development option is to address demanding missions of the future, such as robotic outer planet exploration or the Space Exploration Initiative. The 'Early Track' scheme utilizes existing technologies, such as the SP-100 space reactor and radiator components, as well as subsystems scalable from existing programs, such as 50 to 100 kWe ion thrusters. Up to 1.5 MWe of powder can be generated by the existing 2.4 MWt SP-100 reactor through the use of dynamic Rankine or Brayton power conversion. The performance characteristics of these systems are projected, and assessed for SEI missions currently under consideration.

Gilland, J. H.↗
NASA NTRS1993

Estimation of surface heat and moisture fluxes over a prairie grassland. III - Design of a hybrid physical/remote sensing biosphere model

The design and formulation of an experimental biosphere model (Ex-BATS), based on the biosphere-atmosphere transfer scheme (BATS) of Dickinson (1983, 1984) and Dickinson et al. (1986) are described. The Ex-BATS was designed to incorporate both in situ measurements and satellite parameterizations of certain canopy variables which are slowly varying in the course of a growing season. The new model was validated using measurements obtained during the May 28 to August 21 First International Satellite and Surface Climatology Project Field Experiment, showing that the Ex-BATS model reproduced closely the diurnal behavior of the surface fluxes.

Smith, Eric A.↗
NASA NTRS2008

National Aeronautics and Space Administration's (NASA) Third-Generation Tracking and Data Relay Satellites (TDRS)

NASA has contracted with Boeing to provide two third-generation Tracking and Data Relay Satellites (TDRS) designated TDRS K and L, with an option to provide two additional satellites designated TDRS M and N. These TDRS will be used to continue and enhance the user support services of the existing first- and second-generation TDRS spacecraft. The existing TDRS, in conjunction with the TDRS Ground Terminals at the White Sands NM Complex (WSC) and Guam, constitute the Tracking and Data Relay Satellite System (TDRSS). The TDRSS, with other supporting elements, is referred to as the Space Network (SN). The launch of the TDRS K is projected for 2012 with TDRS L planned to follow in 2013. The contract also provides for the modifications to the TDRS Ground Terminals at the WSC required for operation of the new TDRS. This paper provides an overview of the customer services provided by the existing and new TDRS. In addition, planned future customer services such as Bandwidth Efficient Modulation (BEM) and new coding schemes are briefly discussed.

Berndt, Allen K.↗
NASA NTRS2007

Space and Terrestrial Power System Integration Optimization Code BRMAPS for Gas Turbine Space Power Plants With Nuclear Reactor Heat Sources

In view of the difficult times the US and global economies are experiencing today, funds for the development of advanced fission reactors nuclear power systems for space propulsion and planetary surface applications are currently not available. However, according to the Energy Policy Act of 2005 the U.S. needs to invest in developing fission reactor technology for ground based terrestrial power plants. Such plants would make a significant contribution toward drastic reduction of worldwide greenhouse gas emissions and associated global warming. To accomplish this goal the Next Generation Nuclear Plant Project (NGNP) has been established by DOE under the Generation IV Nuclear Systems Initiative. Idaho National Laboratory (INL) was designated as the lead in the development of VHTR (Very High Temperature Reactor) and HTGR (High Temperature Gas Reactor) technology to be integrated with MMW (multi-megawatt) helium gas turbine driven electric power AC generators. However, the advantages of transmitting power in high voltage DC form over large distances are also explored in the seminar lecture series. As an attractive alternate heat source the Liquid Fluoride Reactor (LFR), pioneered at ORNL (Oak Ridge National Laboratory) in the mid 1960's, would offer much higher energy yields than current nuclear plants by using an inherently safe energy conversion scheme based on the Thorium --> U233 fuel cycle and a fission process with a negative temperature coefficient of reactivity. The power plants are to be sized to meet electric power demand during peak periods and also for providing thermal energy for hydrogen (H2) production during "off peak" periods. This approach will both supply electric power by using environmentally clean nuclear heat which does not generate green house gases, and also provide a clean fuel H2 for the future, when, due to increased global demand and the decline in discovering new deposits, our supply of liquid fossil fuels will have been used up. This is expected within the next 30 to 50 years, as predicted by the Hubbert model and confirmed by other global energy consumption prognoses. Having invested national resources into the development of NGNP, the technology and experience accumulated during the project needs to be documented clearly and in sufficient detail for young engineers coming on-board at both DOE and NASA to acquire it. Hands on training on reactor operation, test rigs of turbomachinery, and heat exchanger components, as well as computational tools will be needed. Senior scientist/engineers involved with the development of NGNP should also be encouraged to participate as lecturers, instructors, or adjunct professors at local universities having engineering (mechanical, electrical, nuclear/chemical, and/or materials) as one of their fields of study.

Juhasz, Albert J.↗
NASA NTRS1990

Composite Matrix Cooling Scheme for Small Gas Turbine Combustors

The design, manufacture, and testing of a compliant metal/ceramic (CMC) wall cooling concept-implementing combustor for small gas turbine engines has been undertaken by a joint U.S. Army/NASA technology development program. CMC in principle promises greater wall cooling effectiveness than conventional designs and materials, thereby facilitating a substantial reduction in combustor cooling air requirements and furnishing greater airflow for the control of burner outlet temperature patterns as well as improving thermodynamic efficiency and reducing pollutant emissions and smoke levels. Rig test results have confirmed the projected benefits of the CMC concept at combustor outlet temperatures of the order of 2460 F, at which approximately 80 percent less cooling air than conventionally required was being employed by the CMC combustor.

Paskin, Marc D.↗
DOE OSTI2012

Utilizing Electric Vehicles to Assist Integration of Large Penetrations of Distributed Photovoltaic Generation Capacity

This analysis provides detailed distribution-level insights into the leveraging potential of distributed rooftop photovoltaic (PV) technologies and electric vehicle (EV) charging. Either of the two technologies by themselves – at some high penetrations – may cause some voltage control challenges or overloading problems, respectively. But when combined, there could be synergistic effects, at least intuitively, whereby one technology mitigates the negative impacts of the other. High penetration of EV charging may overload existing distribution system components, most prominently the secondary transformer. If PV technology is installed at residential premises or anywhere downstream of the secondary transformer, it will provide another electricity source, thus relieving the loading on the transformers. Another synergetic or mitigating effect could be envisioned when high PV penetration reverses the power flow upward in the distribution system (from the homes upstream into the distribution system). Protection schemes may then no longer function as designed and voltage violations (exceeding the voltage upper limit of the American National Standards Institute (ANSI) voltage range) may occur. In this particular situation, EV charging could consume the generated energy from the PV, such that the reversal of power flow can be reduced or alleviated. Given these potential mutual synergistic behaviors of PV and EV technologies, this project attempted to quantify the benefits of combining the two technologies.

Tuffner, Francis K.↗
DOE OSTI2016

Toward a Unified Representation of Atmospheric Convection in Variable-Resolution Climate Models

The purpose of this project was to improve the representation of convection in atmospheric weather and climate models that employ computational grids with spatially-variable resolution. Specifically, our work targeted models whose grids are fine enough over selected regions that convection is resolved explicitly, while over other regions the grid is coarser and convection is represented as a subgrid-scale process. The working criterion for a successful scheme for representing convection over this range of grid resolution was that identical convective environments must produce very similar convective responses (i.e., the same precipitation amount, rate, and timing, and the same modification of the atmospheric profile) regardless of grid scale. The need for such a convective scheme has increased in recent years as more global weather and climate models have adopted variable resolution meshes that are often extended into the range of resolving convection in selected locations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Quantification of hydraulic trait control on plant hydrodynamics and risk of hydraulic failure within a demographic structured vegetation model in a tropical forest (FATES–HYDRO V1.0)

Abstract. Vegetation plays a key role in the global carbon cycle and thus is an important component within Earth system models (ESMs) that project future climate. Many ESMs are adopting methods to resolve plant size and ecosystem disturbance history, using vegetation demographic models. These models make it feasible to conduct more realistic simulation of processes that control vegetation dynamics. Meanwhile, increasing understanding of the processes governing plant water use, and ecosystem responses to drought in particular, has led to the adoption of dynamic plant water transport (i.e., hydrodynamic) schemes within ESMs. However, the extent to which variations in plant hydraulic traits affect both plant water stress and the risk of mortality in trait-diverse tropical forests is understudied. In this study, we report on a sensitivity analysis of an existing hydrodynamic scheme (HYDRO) model that is updated and incorporated into the Functionally Assembled Terrestrial Ecosystem Simulator (FATES) (FATES–HYDRO V1.0). The size- and canopy-structured representation within FATES is able to simulate how plant size and hydraulic traits affect vegetation dynamics and carbon–water fluxes. To better understand this new model system, and its functionality in tropical forest systems in particular, we conducted a global parameter sensitivity analysis at Barro Colorado Island, Panama. We assembled 942 observations of plant hydraulic traits on 306 tropical plant species for stomata, leaves, stems, and roots and determined the best-fit statistical distribution for each trait, which was used in model parameter sampling to assess the parametric sensitivity. We showed that, for simulated leaf water potential and loss of hydraulic conductivity across different plant organs, the four most important traits were associated with xylem conduit taper (buffers increasing hydraulic resistance with tree height), stomatal sensitivity to leaf water potential, maximum stem hydraulic conductivity, and the partitioning of total hydraulic resistance above vs. belowground. Our analysis of individual ensemble members revealed that trees at a high risk of hydraulic failure and potential tree mortality generally have a lower conduit taper, lower maximum xylem conductivity, lower stomatal sensitivity to leaf water potential, and lower resistance to xylem embolism for stem and transporting roots. We expect that our results will provide guidance on future modeling studies using plant hydrodynamic models to predict the forest responses to droughts and future field campaigns that aim to better parameterize plant hydrodynamic models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1994

Design of power electronics for TVC and EMA systems

The Component Development Division of the Propulsion Laboratory at Marshall Space Flight Center (MSFC) is currently developing a class of electromechanical actuators (EMA's) for use in space transportation applications such as thrust vector control (TVC) and propellant control valves (PCV). These high power servomechanisms will require rugged, reliable, and compact power electronic modules capable of modulating several hundred amperes of current at up to 270 volts. MSFC has selected the brushless dc motor for implementation in EMA's. A previous project performed by Auburn University examined the use of the resonant dc link (RDCL) inverter, pulse density modulation (PDM), and mos-controlled thyristors (MCT's) for speed control of a brushless dc motor. The speed of the brushless dc motor is proportional to the applied stator voltage. In a PDM system, the control system determines the number of resonant voltage pulses which must be applied to the stator to achieve a desired speed. The addition of a waveshaping circuit to the front end of a standard three-phase inverter yields a RDCL inverter; the resonant voltage pulses are produced through the action of this wave shaping circuit and the inverter. This project has focused on the implementation of a system which permits zero-voltage switching with the bus voltage clamped at the input voltage level. In the same manner as the RDCL inverter, the inverter selected for this implementation is a combination of waveshaping circuit and a standard three-phase inverter. In addition, this inverter allows a pulse-width modulated (PWM)-like control scheme instead of a PDM scheme. The operation of waveshaping circuit will be described through analysis and waveforms. Design relationships will also be presented.

Nelms, R. Mark↗
NASA NTRS2010

A Summary of NASA Related Contributions for the Remote Sensing of Evapotranspiration in Support of Water Management and Agriculture

The amount of evapotranspiration (ET) to the atmosphere can account for 60% or more of the water loss in many semi-arid locations, and can critically affect local economies tied to agriculture, recreation, hydroelectric power, ecosystems, and numerous other water-related areas. NASA supports many activities using satellite and Earth science data to more accurately and cost effectively estimate ET. NASA ET related work includes the research, development and application of techniques. The free and open access of NASA satellite data and products now permits a much wider application of ET mapping. Typically the NASA supported approaches ranges from large regional and continental ET mapping using MODIS (also with AIRS and CERES), GRACE (gravimetric water balance), geostationary (e.g., GOES and Meteosat for near continental sca|e), land surface modeling (i.e, Land Data Assimilation Systems) to fine scale mapping such as provided bvLandsatdata(<100 m). Usually satellite or airborne thermal imagery are used as input to an ET estimated surface energy balance based approach. There are currently several of these ET approaches under development and implementation including 'METRIC', 'SEBS', 'ALEXI/DisALEXI', etc.. One exception is an approach using GRACE satellite data that estimates the terrestrial water storage using gravimetric data over large areas and estimates ET indirectly. Also land surface modeling within the context of data assimilation and integration schemes provides the capability to integrate in situ, ancillary and satellite together to provide a spatially and synoptic estimates of ET also for use to provide for short-term ET predictions. We will summarize NASA related activities contributing to the improved estimation of ET for water management and agriculture with an emphasis on the Western U3.. This summary includes a description of ET projects in the Middle Rio Grande, Yakima, North Platte and other selected basins in the western US. We will also discuss plans to further address ET applications through working with the USDA and the Group on Earth Observations (GEO) to extend and evaluate western U.S. ET mapping to other parts of the U.S. and internationally.

Toll, David↗
DOE OSTI2018

Major improvements on the longwave radiative interactions between surface and clouds in the Polar Regions in atmospheric global circulation model (GCM). Final Project Report

1. Summary of Work and Accomplishments in Year 1 (01/15/2015-01/14/2016). We developed new ice cloud parameterizations based on state-of-the-art MODIS Collection 6 (MC6) ice particle model. Features of the model include the consideration of surface roughness of ice crystals and spectral consistency in cloud property retrievals. Using more than 14,000 particle size distributions (PSDs) from in-situ measurements and the latest ice particle single-scattering property library, our parameterizations provide band-averaged bulk-scattering properties. According to statistics of fittings, the parameterization schemes represent the band-averaged bulk-scattering properties very well. Compared to the ice particle model developed by Fu (1998), flux simulations with the MC6 particle model result in larger upward flux at the top of the atmosphere (TOA) and smaller at the surface for typical cirrus clouds. In the assessment of the effect of longwave light scattering, our results also support the conclusions of previous studies. The error in flux calculations reaches about 10 W/m 2 when a cirrus cloud is thin and its particle size is small. 2. Summary of Work and Accomplishments in Year 2 (01/15/2016-01/14/2017) Clouds are a major modulator of the global radiation budgets. However, representations of clouds in general circulation models (GCMs) neglect many important processes, particularly those related to ice clouds. One major uncertainty source is the radiative transfer scheme in GCMs. To reduce the computational burden in most GCMs, absorption is the only radiative transfer process considered in longwave spectral bands. Recently, a state-of-the-art MC6 ice model has been available, which provides spectral consistency in ice cloud retrievals. With an advanced light scattering library for ice particles, we performed sensitivity studies of the potential impacts on the climate including light scattering for MC6 model and other 11 ice cloud models. Specifically, we modified RRTMG_LW (the GCM version of Longwave Rapid Radiative Transfer Model), a radiative transfer module widely used in GCMs and numerical prediction models, to identify flux simulation differences with and without considering light scattering processes. The simulations with light scattering come from a rigorous radiative solver, DISORT (Discrete Ordinates Radiative Transfer Program for a Multi-Layered Plane-Parallel Medium), are used as benchmarks. The results show that the weighted annual mean biases of RRTMG_LW for the upward flux at the top of the atmosphere, the downward flux at the surface, and the net flux into the atmosphere are about 0.8 ± 0.3, -0.1 ± 0.05, and -0.7 ± 0.3 W m-2, respectively. According to the different the ice crystal shapes, the weighted annual mean bias for heating rate is about -0.006 ± 0.02 to 0.04 K/day. 3. Summary of Work and Accomplishments in Year 3 (01/15/2017-01/14/2018) Since absorption dominates optical properties of clouds in the longwave (LW) spectrum, most of general circulation models (GCMs) only take absorption properties of clouds into account in the radiative transfer modules in order to reduce computational costs. To quantify the biases of excluding LW scattering when clouds exist, we simulated fluxes and heating rates by using satellite data from Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO), CloudSat, Clouds and the Earth’s Radiant Energy System (CERES) and Moderate Resolution Imaging Spectrometer (MODIS) merged products (CCCM) in 2010. In annual global average, neglecting LW scattering causes overestimation by 2.6 W/m 2 for the top-of-atmosphere (TOA) upward fluxes and underestimation by 1.2 W/m 2 for surface downward fluxes. In particular, regional extreme biases are approximately 12 W/m 2 for TOA upward fluxes and are approximately -3.6 W/m 2 for surface downward fluxes, or are approximately 5% of the global averaged outgoing longwave radiation (OLR) and 1% of the global averaged surface downward fluxes, respectively. In terms of heating rates, on average, LW scattering heats the whole atmosphere column by 0.0045 K/day, heats the cloud layers by 0.0420 K/day, heats the surface by 0.028 K/day, and cools the tropopause by 0.018 K/day.

58 GEOSCIENCES↗
DOE OSTI2024

Robust training of machine learning interatomic potentials with dimensionality reduction and stratified sampling

Abstract Machine learning interatomic potentials (MLIPs) enable accurate simulations of materials at scales beyond that accessible by ab initio methods and play an increasingly important role in the study and design of materials. However, MLIPs are only as accurate and robust as the data on which they are trained. Here, we present DImensionality-Reduced Encoded Clusters with sTratified (DIRECT) sampling as an approach to select a robust training set of structures from a large and complex configuration space. By applying DIRECT sampling on the Materials Project relaxation trajectories dataset with over one million structures and 89 elements, we develop an improved materials 3-body graph network (M3GNet) universal potential that extrapolates more reliably to unseen structures. We further show that molecular dynamics (MD) simulations with the M3GNet universal potential can be used instead of expensive ab initio MD to rapidly create a large configuration space for target systems. We combined this scheme with DIRECT sampling to develop a reliable moment tensor potential for titanium hydrides without the need for iterative augmentation of training structures. This work paves the way for robust high-throughput development of MLIPs across any compositional complexity.

Qi, Ji (ORCID:0000000158089931)↗