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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 631 records · Page 35

CELSS science needs

Questions and areas of study that need to be persued in order to develope a Controlled Ecological Life Support System are posed. Research topics needing attention are grouped under various leadings: ecology, genetics, plant pathology, cybernetics, chemistry, computer science, fluid dynamics, optics, and solid-state physics.

Rummel, J. D.↗

Computational Requirements in Clean Energy and Manufacturing: Summary report of the virtual workshop held on June 28-29, 2021

On June 28–29, 2021, the US Department of Energy’s (DOE’s) Advanced Scientific Computing Research (ASCR) program in the Office of Science convened a workshop with the Energy Efficiency and Renew able Energy (EERE) program offices to assess the future need for advanced computing resources in the areas of clean energy and advanced manufacturing. In part, this discussion served as an update to earlier workshops and townhalls. ASCR is guided by DOE mission needs as it develops research programs, computers, and networks at the leading edge of technologies. As the exascale computing era dawns, technology changes are creating new opportunities for those who must use high-performance computing (HPC) and data systems effectively. The ASCR computing facilities are augmenting their strategy to adapt to changing science needs and emerging technologies and to leverage the utility of exascale computing across the federal government.

97 MATHEMATICS AND COMPUTING↗

Integrating Applied Energy and BER Smart Data Capabilities to Develop a DOE Data Fabric for Energy-Water R&D

Focal Area(s): 1) Data acquisition and assimilation enabled by machine learning, AI, and advanced methods including experimental/network design/optimization, unsupervised learning (including deep learning), and hardware-related efforts involving AI (e.g., edge computing). Science Challenge: DOE R&D, including DOE’s Basic Energy Research (BER)’s Environmental Systems Science Division (EESSD) program and DOE’s applied energy research (AER) programs (EERE, FE, and NE) are producers and consumers of Earth systems datasets. This white paper focuses on the first topic area from the call in relation to how crosscutting resources and innovations from DOE’s EESSD and AER can be brought to bear to mutual benefit and more efficient energy-water, Earth system data resources through improved. The overarching challenge posed by this call focuses on how DOE can directly leverage artificial intelligence (AI) to engineer a substantial (paradigm-changing) improvement in Earth System Predictability? While stemming from DOE BER’s EESSD program, this is a challenge that is faced and also being addressed by DOE’s AER programs. Over the past decade plus, FE, EERE, and NE programs have made important strides towards addressing this need. These strides are in many ways highly complementary to EESSD’s MODEX efforts. Energy water systems spanning metocean to groundwater to surface water systems all are data driven whether for basic energy or applied energy. These are remote, multi-variate, complex natural, and in many cases engineered, systems. Key needs and challenges of both EESSD and AER include developing data-focused tools to enhance data search and discovery to fill in knowledge gaps (address sparse data challenge), and rapidly transform datasets, including disparate and multi-source data. Leveraging DOE on-premise computing (HPC, exascale) infrastructure supports the computing-intensive algorithms required to execute these data acquisition and transformation processes to derive enriched knowledge and data, driving AI/ML and big data analytics for these systems. The opportunity lies in combining BER and AER efforts to provide a more robust, advanced, efficient and complete computing data fabric to address energy-water data acquisition and assimilation needs which currently pose significant impediments to AI/ML predictions and research.

54 ENVIRONMENTAL SCIENCES↗

Formal methods and digital systems validation for airborne systems

This report has been prepared to supplement a forthcoming chapter on formal methods in the FAA Digital Systems Validation Handbook. Its purpose is as follows: to outline the technical basis for formal methods in computer science; to explain the use of formal methods in the specification and verification of software and hardware requirements, designs, and implementations; to identify the benefits, weaknesses, and difficulties in applying these methods to digital systems used on board aircraft; and to suggest factors for consideration when formal methods are offered in support of certification. These latter factors assume the context for software development and assurance described in RTCA document DO-178B, 'Software Considerations in Airborne Systems and Equipment Certification,' Dec. 1992.

Rushby, John↗

A guide to the National Space Science Data Center

This is the second edition of a document that was published to acquaint space and Earth research scientists with an overview of the services offered by the NSSDC. As previously stated, the NSSDC was established by NASA to be the long term archive for data from its space missions. However, the NSSDC has evolved into an organization that provides a multitude of services for scientists throughout the world. Brief articles are presented which discuss these services. At the end of each article is the name, address, and telephone number of the person to contact for additional information. Online Information and Data Systems, Electronic Access, Offline Data Archive, Value Added Services, Mass Storage Activities, and Computer Science Research are all detailed.

Source record↗

Biomass Harmonization and SAR Analysis with the Multi-mission Algorithm and Analysis Platform (MAAP)

The Multi‐mission Algorithm and Analysis Platform (MAAP) is a collaborative effort between NASA and the European Space Agency (ESA) to support above ground biomass (AGB) research in an open science framework. MAAP brings together relevant data, algorithms, and computing capabilities in a common cloud environment to address the challenges of sharing and processing data from field, airborne and satellite measurements. MAAP was publicly released in October 2021, providing computing capabilities co-located with the data, a collaborative coding and analysis environment, and a set of interoperable tools and algorithms developed to support the estimation and visualization of data. MAAP has allowed scientists from both North America and Europe to collaborate on the generation and analysis/visualization of data derived from multiple, discipline-adjacent missions in an open, collaborative environment that has reached beyond traditional scientific investigation. MAAP has been used to support multiple scientific activities. To date, existing LiDAR data from multiple platforms has been calibrated with field measurements and combined for more comprehensive and accurate estimates of above ground biomass AGB; these LiDAR platforms include airborne (e.g. LVIS), the International Space Station (NASA’s Global Ecosystem Dynamics Investigation (GEDI), and satellites (e.g. ICESat-2). The current challenge is to effectively and seamlessly combine the aforementioned LiDAR-based data with new data sources such as P-band RADAR from ESA’s upcoming BIOMASS mission, existing ESA Sentinel-1 C-band SAR, and the 30 PB/yr of high cadence global coverage L-band SAR data from the upcoming NASA-ISRO SAR (NISAR) mission. Recent analysis using MAAP merged ICESat-2 and optical data (Harmonized Landsat Sentinel) produced the most comprehensively precise estimate of boreal-wide AGB to date. Another effort using MAAP is the production and open distribution of global comparisons of AGB map estimates, including from ICESat-2 and GEDI, to bolster stakeholder uptake for policy applications. These map estimates will feed into the Intergovernmental Panel on Climate Change (IPCC) database, likely aiding the next Global Carbon Stocktake of the UNFCCC. Furthermore, the biomass retrieval intercomparison exercise BRIX-2 could benefit from the MAAP providing standardized test cases (based on airborne campaign and spaceborne data) allowing the community to develop and apply retrieval algorithms based on these test cases, while forthcoming SAR data training curricula could also use the MAAP as a teaching and learning platform. The MAAP is meeting the challenges inherent in international, open science collaboration and large scale computing with a platform that is entirely open source and cloud native, using open standards for data access, manipulation, protocols, and formats. The MAAP data system consists of a dedicated data store whose data is indexed in an online catalog conforming to established metadata, application programmatic interfaces (APIs), and service interface standards, using an implementation of the open sourced NASA Common Metadata Repository. Federation of user identities allows users from either NASA or ESA to access and consume services from the other using a unified metadata catalog for the data utilized across the ESA and NASA MAAP platforms. Similarly, we are exploring how to increase interoperability to achieve a common approach to packaging, orchestrating and executing algorithms, with interoperable access to data for subsetting, fast browse, and cloud-optimized access, all using interoperable standards such as those from the Open Geospatial Consortium (OGC). Designed for interoperability, ESA and NASA utilize a common architecture for the software platform. It provides a cloud-based algorithm development environment (ADE) that enables scientists to develop algorithms collaboratively with access to the MAAP data catalog as well as other data archives. MAAP provides an Eclipse Che-based ADE supporting both Python and R languages, popular in this biomass community. Algorithms developed and containerized within the ADE can be deployed to run to thousands of computational nodes in the MAAP’s data processing system (DPS), dramatically speeding up processing and giving scientists a rapid, iterative turnaround of results. NASA’s implementation of the DPS is based on the Hybrid Science Data System (HySDS) framework, used by NASA flight projects to produce Earth science standard products.

cloud computing↗

Some Problems and Solutions in Transferring Ecosystem Simulation Codes to Supercomputers

Many computer codes for the simulation of ecological systems have been developed in the last twenty-five years. This development took place initially on main-frame computers, then mini-computers, and more recently, on micro-computers and workstations. Recent recognition of ecosystem science as a High Performance Computing and Communications Program Grand Challenge area emphasizes supercomputers (both parallel and distributed systems) as the next set of tools for ecological simulation. Transferring ecosystem simulation codes to such systems is not a matter of simply compiling and executing existing code on the supercomputer since there are significant differences in the system architectures of sequential, scalar computers and parallel and/or vector supercomputers. To more appropriately match the application to the architecture (necessary to achieve reasonable performance), the parallelism (if it exists) of the original application must be exploited. We discuss our work in transferring a general grassland simulation model (developed on a VAX in the FORTRAN computer programming language) to a Cray Y-MP. We show the Cray shared-memory vector-architecture, and discuss our rationale for selecting the Cray. We describe porting the model to the Cray and executing and verifying a baseline version, and we discuss the changes we made to exploit the parallelism in the application and to improve code execution. As a result, the Cray executed the model 30 times faster than the VAX 11/785 and 10 times faster than a Sun 4 workstation. We achieved an additional speed-up of approximately 30 percent over the original Cray run by using the compiler's vectorizing capabilities and the machine's ability to put subroutines and functions "in-line" in the code. With the modifications, the code still runs at only about 5% of the Cray's peak speed because it makes ineffective use of the vector processing capabilities of the Cray. We conclude with a discussion and future plans.

Skiles, J. W.↗

SBML Level 3: an extensible format for the exchange and reuse of biological models

Systems biology has experienced dramatic growth in the number, size, and complexity of computational models. To reproduce simulation results and reuse models, researchers must exchange unambiguous model descriptions. We review the latest edition of the Systems Biology Markup Language (SBML), a format designed for this purpose. A community of modelers and software authors developed SBML Level 3 over the past decade. Its modular form consists of a core suited to representing reaction-based models and packages that extend the core with features suited to other model types including constraint-based models, reaction-diffusion models, logical network models, and rule-based models. The format leverages two decades of SBML and a rich software ecosystem that transformed how systems biologists build and interact with models. More recently, the rise of multiscale models of whole cells and organs, and new data sources such as single-cell measurements and live imaging, has precipitated new ways of integrating data with models. We provide our perspectives on the challenges presented by these developments and how SBML Level 3 provides the foundation needed to support this evolution.

59 BASIC BIOLOGICAL SCIENCES↗

Extracting h-Backbone as a Core Structure in Weighted Networks

Determining the core structure of complex network systems allows us to simplify them. Using h -bridge and h -strength measurements in a weighted network, we extract the h -backbone core structure. We find that focusing on the h -backbone in a network allows greater simplification because it has fewer edges and thus fewer adjacent nodes. We examine three practical applications: the co-citation network in an information system, the open flight network in a social system, and coauthorship in network science publications.

97 MATHEMATICS AND COMPUTING↗

A Programming Environment Evaluation Methodology for Object-Oriented Systems

The object-oriented design strategy as both a problem decomposition and system development paradigm has made impressive inroads into the various areas of the computing sciences. Substantial development productivity improvements have been demonstrated in areas ranging from artificial intelligence to user interface design. However, there has been very little progress in the formal characterization of these productivity improvements and in the identification of the underlying cognitive mechanisms. The development and validation of models and metrics of this sort require large amounts of systematically-gathered structural and productivity data. There has, however, been a notable lack of systematically-gathered information on these development environments. A large part of this problem is attributable to the lack of a systematic programming environment evaluation methodology that is appropriate to the evaluation of object-oriented systems.

Dominick, Wayne D.↗

Improved Representations of Longwave Surface Emissivity to Reduce Surface and Atmospheric Heating Biases in Earth System Models

Abstract Many Earth system models (ESMs) approximate surface emissivity as a broadband constant. This approximation reduces the computational burden, yet omits the spectral structure of emissivity and atmospheric absorption. Neglecting spectral variation in surface emission introduces biases in longwave (LW) atmospheric fluxes and heating. Biases are strongest over surfaces with strongly varying emissivity and minimal atmospheric opacity. We examine these biases over water, ice, and snow surfaces. We partition spectral emissivity into the 16 spectral bands utilized by a single‐column atmospheric radiative transfer model (RRTMG_LW) commonly used in ESMs. We quantify flux and heating biases introduced by broadband assumptions relative to the spectrally resolved case for standard atmospheric profiles over each surface type. Current assumptions tend to overestimate upwelling surface fluxes; for example, the greybody assumption overestimates flux by 1.6 W/m 2 (0.52%) at the bottom of a mid‐latitude winter atmosphere over ice, and by 2.33 (1.0%) at the top of atmosphere. The blackbody assumption tends to artificially cool Earth's surface, stabilizing the lower troposphere. Interestingly, the optimal broadband emissivity can deviate from the Planck‐weighted mean by up to 3% depending on surface type and atmospheric profile. We investigate bias sensitivity to surface temperature, cloud water path, and atmospheric water vapor. Bias is most sensitive to water vapor content, and least sensitive to cloud water path. Lastly, we show that a modified greybody method with updated broadband values can reduce total surface flux bias up to 1.69 , comparable to a five‐band approach and at a fraction of the computational cost.

Manzo, L. [Department of Earth System Science Univ↗

Fast inversion, preconditioned quantum linear system solvers, fast Green's-function computation, and fast evaluation of matrix functions

Preconditioning is the most widely used and effective way for treating ill-conditioned linear systems in the context of classical iterative linear system solvers. We introduce a quantum primitive called fast inversion, which can be used as a preconditioner for solving quantum linear systems. The key idea of fast inversion is to directly block encode a matrix inverse through a quantum circuit implementing the inversion of eigenvalues via classical arithmetics. We demonstrate the application of preconditioned linear system solvers for computing single-particle Green's functions of quantum many-body systems, which are widely used in quantum physics, chemistry, and materials science. We analyze the complexities in three scenarios: the Hubbard model, the quantum many-body Hamiltonian in the plane-wave-dual basis, and the Schwinger model. We also provide a method for performing Green's function calculation in second quantization within a fixed-particle manifold and note that this approach may be valuable for simulation more broadly. Aside from solving linear systems, fast inversion also allows us to develop fast algorithms for computing matrix functions, such as the efficient preparation of Gibbs states. Furthermore, we introduce two efficient approaches for such a task, based on the contour-integral formulation and the inverse transform, respectively.

97 MATHEMATICS AND COMPUTING↗

Variational and phase response analysis for limit cycles with hard boundaries, with applications to neuromechanical control problems

Motor systems show an overall robustness, but because they are highly nonlinear, understanding how they achieve robustness is difficult. In many rhythmic systems, robustness against perturbations involves response of both the shape and the timing of the trajectory. This makes the study of robustness even more challenging. To understand how a motor system produces robust behaviors in a variable environment, we consider a neuromechanical model of motor patterns in the feeding apparatus of the marine mollusk Aplysia californica (Shaw et al. in J Comput Neurosci 38(1):25–51, 2015; Lyttle et al. in Biol Cybern 111(1):25–47, 2017). We established in (Wang et al. in SIAM J Appl Dyn Syst 20(2):701–744, 2021. https://doi.org/10.1137/20M1344974) the tools for studying combined shape and timing responses of limit cycle systems under sustained perturbations and here apply them to study robustness of the neuromechanical model against increased mechanical load during swallowing. Interestingly, we discover that nonlinear biomechanical properties confer resilience by immediately increasing resistance to applied loads. In contrast, the effect of changed sensory feedback signal is significantly delayed by the firing rates’ hard boundary properties. Our analysis suggests that sensory feedback contributes to robustness in swallowing primarily by shifting the timing of neural activation involved in the power stroke of the motor cycle (retraction). This effect enables the system to generate stronger retractor muscle forces to compensate for the increased load, and hence achieve strong robustness. The approaches that we are applying to understanding a neuromechanical model in Aplysia, and the results that we have obtained, are likely to provide insights into the function of other motor systems that encounter changing mechanical loads and hard boundaries, both due to mechanical and neuronal firing properties.

59 BASIC BIOLOGICAL SCIENCES↗

Large-Scale Calculations for Material Sciences Using Accelerators to Improve Time- and Energy-to-Solution

A major impediment to deploying next-generation high-performance computational systems is the required electrical power, often measured in units of megawatts. The solution to this problem is driving the introduction of novel machine architectures, such as those employing many-core processors and specialized accelerators. In this article, we describe the use of a hybrid accelerated architecture to achieve both reduced time to solution and the associated reduction in the electrical cost for a state-of-the-art materials science computation.

36 MATERIALS SCIENCE↗

Mesoscale Organization in Cumulus-Coupled Stratocumulus

Marine cloud systems cover a substantial portion of the world’s oceans. Most of these clouds form relatively close to the ocean surface, typically within one to two kilometers, a region referred to by meteorologists as the marine boundary layer. They are composed predominantly of liquid water, although ice particles can occur in mid- and high-latitude marine clouds during winter. In satellite imagery, these clouds appear bright against the darker ocean surface below, reflecting a large fraction of incoming sunlight back into space that would otherwise warm the ocean. Because marine boundary layer clouds cover such an extensive area of the ocean, they exert a significant influence on Earth’s overall transfer of solar energy absorbed by the surface and thermal energy emitted to space, a balance known as the planetary radiation budget. Marine boundary layer clouds are typically thin, and their formation and dissipation depend on a delicate balance between processes acting at the ocean surface below and the warm, dry air above. They are notoriously difficult to simulate accurately in weather forecast models, which often produce too few marine low clouds in midlatitudes and clouds in tropical regions that are excessively bright, meaning they reflect too much solar radiation. The marine boundary layer is frequently characterized by widespread overcast cloud cover that often transitions from a continuous, single-layer deck to more broken cloud fields toward the tropics. These transitions typically proceed through an intermediate stage in which shallow, broken clouds form beneath the overlying stratiform cloud deck. Once broken clouds develop below the overcast, they frequently self-organize into cloud clusters known as marine boundary layer convective complexes (MBLCCs), although the mechanisms governing the formation and organization of MBLCCs remain poorly understood. Accurately representing these transitions in long-range weather forecast models is essential because they influence the properties of air masses advected over the continental United States and Europe, and they become increasingly important for forecasts on seasonal and longer timescales. We employed two complementary approaches to investigate the processes controlling MBLCCs and their impact on marine cloud cover. Long-term observations from the U.S. Department of Energy’s Eastern North Atlantic (ENA) Observatory provided a unique dataset that allowed us to characterize fundamental properties of MBLCCs, including their typical size and frequency of occurrence. These observations were combined with high-resolution numerical simulations performed on supercomputers to examine the evolution of MBLCCs during cold-air outbreaks over the ENA region.

54 ENVIRONMENTAL SCIENCES↗