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DOE OSTI2023

Supply Chain Binary Program Assessment Annual Report

Secure environments face a steadily increasing threat from the introduction of scientific equipment that includes extensive software components. Devices such as powerful microscopes, 3d printers, programmable logic controllers, and many others, increase our capability and scientific output. Unfortunately, they now frequently include an entire computing stack with custom software bundled along with entire operating systems. Our ability to introspect and understand binary software is extremely limited, opening up the possibility of malicious third-parties including software that compromises our critical missions.

42 ENGINEERING↗

DOE OSTI2024

Energy Materials Chemistry Integrating Theory, Experiment and Data Science (Final Report)

The Energy Materials Chemistry Integrating Theory, Experiment and Data Science (EM-CITED) project is a multidisciplinary research effort focused on accelerating discovery of scientific knowledge via incorporation of data science and artificial intelligence in materials chemistry research. The project aims to advance materials chemistry-aware data science to unify theory and experiment knowledge streams. The work resulted in foundational AI frameworks for materials chemistry – Deep Reasoning Networks (DRNets), Hierarchical Correlation Learning for Multi-property Prediction (H-CLMP), and Material-to-Spectrum (Mat2Spec) prediction – as well as a host of strategies for accelerated scientific discoveries through principled incorporation of data science in computational and experimental research.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Characterization of Exoplanet Atmospheres with the Optical Coronagraph on WFIRST

Wide-Field Infrared Survey Telescope (WFIRST)-CGI is a NASA technology demonstration mission that is charged with demonstrating key technologies for future exo-Earth imaging missions in space. In the process, it will obtain images and low-resolution spectra of a handful to a dozen extrasolar planets and possibly protoplanetary disks. Its unprecedented contrast levels in the optical will provide astronomers’ with their first direct look at mature, Jupiter-sized planets at moderate separations. This paper addresses the question: what science can be done with such data? An analytic noise model, which is informed by the ongoing engineering developments, is used to compute maximum achievable signal-to-noise ratios and scientifically viable integration times for hypothetical star–planet systems, as well as to investigate the constraining power of various combinations of WFIRST-CGI photometric and spectral observations. This work introduces two simple models for planetary geometric albedos, which are inspired largely by the solar system’s gas giants. The first planet model is a hybrid Jupiter–Neptune model, which separately treats the short and long wavelengths where chromophores and methane dominate absorption, respectively. The second planet model fixes cloud and haze properties in CoolTLusty to match Jupiter’s albedo spectrum, it then perturbs only the metallicity. MCMC retrievals performed on simulated observations are used to assess the precision with which planet model parameters can be measured subject to different exposure times and observing cases. Planet radius is recovered within ±15% for all observing cases with both the hybrid model and the CoolTLusty metallicity grid. Fit results for both models’ parameterizations of geometric albedo spectra demonstrate that a rough indication of the metallicity or methane content should be possible for some WFIRST-CGI targets. We conclude that real observations will likely be able to differentiate between extreme cases using these models, but will lack the precision necessary to uncover subtle trends.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Evaluating climate emulation: fundamental impulse testing of simple climate models

Abstract. Simple climate models (SCMs) are numerical representations of the Earth's gas cycles and climate system. SCMs are easy to use and computationally inexpensive, making them an ideal tool in both scientific and decision-making contexts (e.g., complex climate model emulation, parameter estimation experiments, climate metric calculations, and probabilistic analyses). Despite their prolific use, the fundamental responses of SCMs are often not directly characterized. In this study, we use fundamental impulse tests of three chemical species (CO2, CH4, and black carbon – BC) to understand the fundamental gas cycle and climate system responses of several comprehensive (Hector v2.0, MAGICC 5.3, MAGICC 6.0) and idealized (FAIR v1.0, AR5-IR) SCMs. We find that while idealized SCMs are widely used, they fail to capture the magnitude and timescales of global mean climate responses under emissions perturbations, which can produce biased temperature results. Comprehensive SCMs, which have physically based nonlinear forcing and carbon cycle representations, show improved responses compared to idealized SCMs. Even the comprehensive SCMs, however, fail to capture the response timescales to BC emission perturbations seen recently in two general circulation models. Some comprehensive SCMs also generally respond faster than more complex models to a 4×CO2 concentration perturbation, although this was not evident for lower perturbation levels. These results suggest where improvements should be made to SCMs. Further, we demonstrate here a set of fundamental tests that we recommend as a standard evaluation suite for any SCM. Fundamental impulse tests allow users to understand differences in model responses and the impact of model selection on results.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1976

HEP - A semaphore-synchronized multiprocessor with central control

The paper describes the design concept of the Heterogeneous Element Processor (HEP), a system tailored to the special needs of scientific simulation. In order to achieve high-speed computation required by simulation, HEP features a hierarchy of processes executing in parallel on a number of processors, with synchronization being largely accomplished by hardware. A full-empty-reserve scheme of synchronization is realized by zero-one-valued hardware semaphores. A typical system has, besides the control computer and the scheduler, an algebraic module, a memory module, a first-in first-out (FIFO) module, an integrator module, and an I/O module. The architecture of the scheduler and the algebraic module is examined in detail.

Gilliland, M. C.↗

NASA NTRS1978

Simplified sonic-boom prediction

Sonic boom overpressures and signature duration may be predicted for the entire affected ground area for a wide variety of supersonic airplane configurations and spacecraft operating at altitudes up to 76 km in level flight or in moderate climbing or descending flight paths. The outlined procedure relies to a great extent on the use of charts to provide generation and propagation factors for use in relatively simple expressions for signature calculation. Computational requirements can be met by hand-held scientific calculators, or even by slide rules. A variety of correlations of predicted and measured sonic-boom data for airplanes and spacecraft serve to demonstrate the applicability of the simplified method.

Carlson, H. W.↗

NASA NTRS1979

Heat Pipe Design Handbook: Volume II

This volume consists of a discussion of Fluid Properties (Chapter 1) and a description of the available Heat Pipe Computer Codes (Chapter 2). Appendix A contains appropriate International Scientific Units (SI) and Conversion Factors. The Users Manual for the Heat Pipe Fluid Properties Program (HPF) which is used to generate the fluid property data is presented in Appendix B. Tabulated fluid property data are listed in Appendix C.

Brennan, Patrick J.↗

NASA NTRS1984

Space Telescope pointing control

The Space Telescope, a long life, high performance spacecraft deployed by the Space Shuttle, will carry five scientific instruments on its first mission. Its pointing control system will permit target-to-target maneuvering and precision pointing on a target star to support scientific objectives. Spacecraft attitude control is achieved by onboard computer processing of attitude and rate sensor data to generate reaction wheel torque commands. A momentum management control system is provided to desaturate the reaction wheels. This paper discusses the pointing control system and the control hardware investigations and improvements leading to system design.

Dougherty, H.↗

NASA NTRS1986

Status and projections of the NAS program

NASA's Numerical Aerodynamic Simulation (NAS) Program has completed development of the initial operating configuration of the NAS Processing System Network (NPSN). This is the first milestone in the continuing and pathfinding effort to provide state-of-the-art supercomputing for aeronautics research and development. The NPSN, available to a nation-wide community of remote users, provides a uniform UNIX environment over a network of host computers ranging from the Cray-2 supercomputer to advanced scientific workstations. This system, coupled with a vendor-independent base of common user interface and network software, presents a new paradigm for supercomputing environments. Background leading to the NAS program, its programmatic goals and strategies, technical goals and objectives, and the development activities leading to the current NPSN configuration are presented. Program status, near-term plans, and plans for the next major milestone, the extended operating configuration, are also discussed.

Bailey, Frank R.↗

NASA NTRS1986

Space Telescope Antenna Pointing System analysis and test

The Space Telescope (ST), carrying five astronomy instruments, is a long-life spacecraft designed to achieve and maintain ultrafine stabilization jitter performance. The rms jitter specification for pointing performance is 7 marcsec (1sigma) during periods of scientific observation. Spacecraft attitude control is achieved by onboard computer processing of attitude and rate sensor data to generate reaction-wheel torque commands. The ST Antenna Pointing System is used to position a high-gain antenna for relaying science and engineering data from the spacecraft to the ground station.

Dodder, R.↗

NASA NTRS1994

Shared virtual memory and generalized speedup

Generalized speedup is defined as parallel speed over sequential speed. The generalized speedup and its relation with other existing performance metrics, such as traditional speedup, efficiency, scalability, etc., are carefully studied. In terms of the introduced asymptotic speed, it was shown that the difference between the generalized speedup and the traditional speedup lies in the definition of the efficiency of uniprocessor processing, which is a very important issue in shared virtual memory machines. A scientific application was implemented on a KSR-1 parallel computer. Experimental and theoretical results show that the generalized speedup is distinct from the traditional speedup and provides a more reasonable measurement. In the study of different speedups, various causes of superlinear speedup are also presented.

Sun, Xian-He↗

NASA NTRS1993

The methodology of multi-viewpoint clustering analysis

One of the greatest challenges facing the software engineering community is the ability to produce large and complex computer systems, such as ground support systems for unmanned scientific missions, that are reliable and cost effective. In order to build and maintain these systems, it is important that the knowledge in the system be suitably abstracted, structured, and otherwise clustered in a manner which facilitates its understanding, manipulation, testing, and utilization. Development of complex mission-critical systems will require the ability to abstract overall concepts in the system at various levels of detail and to consider the system from different points of view. Multi-ViewPoint - Clustering Analysis MVP-CA methodology has been developed to provide multiple views of large, complicated systems. MVP-CA provides an ability to discover significant structures by providing an automated mechanism to structure both hierarchically (from detail to abstract) and orthogonally (from different perspectives). We propose to integrate MVP/CA into an overall software engineering life cycle to support the development and evolution of complex mission critical systems.

Mehrotra, Mala↗

NASA NTRS1998

Creating a Canonical Scientific and Technical Information Classification System for NCSTRL+

The purpose of this paper is to describe the new subject classification system for the NCSTRL+ project. NCSTRL+ is a canonical digital library (DL) based on the Networked Computer Science Technical Report Library (NCSTRL). The current NCSTRL+ classification system uses the NASA Scientific and Technical (STI) subject classifications, which has a bias towards the aerospace, aeronautics, and engineering disciplines. Examination of other scientific and technical information classification systems showed similar discipline-centric weaknesses. Traditional, library-oriented classification systems represented all disciplines, but were too generalized to serve the needs of a scientific and technically oriented digital library. Lack of a suitable existing classification system led to the creation of a lightweight, balanced, general classification system that allows the mapping of more specialized classification schemes into the new framework. We have developed the following classification system to give equal weight to all STI disciplines, while being compact and lightweight.

Tiffany, Melissa E.↗

NASA NTRS1997

Scientific Visualization in High Speed Network Environments

In several cases, new visualization techniques have vastly increased the researcher's ability to analyze and comprehend data. Similarly, the role of networks in providing an efficient supercomputing environment have become more critical and continue to grow at a faster rate than the increase in the processing capabilities of supercomputers. A close relationship between scientific visualization and high-speed networks in providing an important link to support efficient supercomputing is identified. The two technologies are driven by the increasing complexities and volume of supercomputer data. The interaction of scientific visualization and high-speed networks in a Computational Fluid Dynamics simulation/visualization environment are given. Current capabilities supported by high speed networks, supercomputers, and high-performance graphics workstations at the Numerical Aerodynamic Simulation Facility (NAS) at NASA Ames Research Center are described. Applied research in providing a supercomputer visualization environment to support future computational requirements are summarized.

Vaziri, Arsi↗

NASA NTRS2012

Experimenting with the GMAO 4D Data Assimilation

The Global Modeling and Assimilation Office (GMAO) has been working to promote its prototype four-dimensional variational (4DVAR) system to a version that can be exercised at operationally desirable configurations. Beyond a general circulation model (GeM) and an analysis system, traditional 4DV AR requires availability of tangent linear (TL) and adjoint (AD) models of the corresponding GeM. The GMAO prototype 4DVAR uses the finite-volume-based GEOS GeM and the Grid-point Statistical Interpolation (GSI) system for the first two, and TL and AD models derived ITom an early version of the finite-volume hydrodynamics that is scientifically equivalent to the present GEOS nonlinear GeM but computationally rather outdated. Specifically, the TL and AD models hydrodynamics uses a simple (I-dimensional) latitudinal MPI domain decomposition, which has consequent low scalability and prevents the prototype 4DV AR ITom being used in realistic applications. In the near future, GMAO will be upgrading its operational GEOS GCM (and assimilation system) to use a cubed-sphere-based hydrodynamics. This versions of the dynamics scales to thousands of processes and has led to a decision to re-derive the TL and AD models for this more modern dynamics, thus taking advantage of a two-dimensional MPI decomposition and improved scalability properties. With the aid of the Transformation of Algorithms in FORTRAN (l'AF) automatic adjoint generation tool and some hand-coding, a version of the cubed-sphere-based TL and AD models, with a simplified vertical diffusion scheme, is now available, enabling multiple configurations of standard implementations of 4DV AR in GEOS. Concurrent to this development, collaboration with the National Centers for Environmental Prediction (NCEP) and the Earth System Research Laboratory (ESRL) has allowed GMAO to implement a hybrid-ensemble capability within the GEOS data assimilation system. Both 3Dand 4D-ensemble capabilities are presently available thus allowing GMAO to now evaluate the performance and benefit of various ensemble and variational assimilation strategies. This presentation will cover the most recent developments taking place at GMAO and show results from various comparisons from traditional techniques to more recent ensemble-based ones.

Todling, R.↗

DOE OSTI2017

NERSC & JGI Seek Elusive Proteins for Gene Editing

A video just released by the Supercomputing 2017 (SC17) conference shows how biologists at UC Berkeley and the Joint Genome Institute (JGI) – a Department of Energy Office of Science User Facility – are using NERSC, the Office of Science’s primary supercomputing center, to identify a class of enzymes capable of editing out genes responsible for disease. This revolutionary work requires petaflops of computing power to sift through billions of DNA sequences in the JGI data portals to identify proteins like Cas9 that, combined with the Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR), can “edit” a genome. First discovered by researchers at UC Berkeley, the CRISPR-Cas9 system has the power to permanently correct disease-causing mutations in cells, animal models, and eventually human patients to cure certain types of cancer, cardiovascular disease, sickle cell disease, and retinal degeneration. Since the CRISPR system was first identified in the early 2000s, it has become the most promising technology for treating genetic disease in humans and enabling plants to survive stress caused by pests and the environment. The annual SC17 conference will take place November 12-17 in Denver, Colorado. The over 12,000 attendees from academia, government and industry are leaders in researching and delivering high performance computing, networking, data storage and analysis in support of scientific discovery. http://sc17.supercomputing.org

Berkeley Lab, LBNL↗

DOE OSTI2021

Optical encoder devices and systems

Devices, systems and methods for encoding information using optical components are described. Information associated with a first optical signal (e.g., an optical pump) is encoded onto the phase of a second optical signal (e.g., an optical probe) using cross phase modulation (XPM) in a non-linear optical medium. The optical signals are multiplexed together into the nonlinear optical medium. The probe experiences a modified index of refraction as it propagates through the medium and thus accumulates a phase change proportional to the intensity of the pump. The disclosed devices can be incorporated into larger components and systems for various applications such as scientific diagnostics, radar, remote sensing, wireless communications, and quantum computing that can benefit from encoding and generation of low noise, high resolution signals. Examples of the encoded information includes intrinsic noise from the optical source, or others signals of interest, such as electrical, optical, X-ray, or high-energy particle signals.

Buckley, Brandon Walter↗

DOE OSTI2023

Optical encoder devices and systems

Buckley, Brandon Walter↗