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DOE OSTI2013

The Science DMZ: A Network Design Pattern for Data-Intensive Science

The ever-increasing scale of scientific data has become a significant challenge for researchers that rely on networks to interact with remote computing systems and transfer results to collaborators worldwide. Despite the availability of high-capacity connections, scientists struggle with inadequate cyberinfrastructure that cripples data transfer performance, and impedes scientific progress. The Science DMZ paradigm comprises a proven set of network design patterns that collectively address these problems for scientists. We explain the Science DMZ model, including network architecture, system configuration, cybersecurity, and performance tools, that creates an optimized network environment for science. We describe use cases from universities, supercomputing centers and research laboratories, highlighting the effectiveness of the Science DMZ model in diverse operational settings. In all, the Science DMZ model is a solid platform that supports any science workflow, and flexibly accommodates emerging network technologies. As a result, the Science DMZ vastly improves collaboration, accelerating scientific discovery.

42 ENGINEERING↗

DOE OSTI2012

Hydrogen lines in the infrared region and spectral background for the thomson scattering diagnostics of the iter divertor plasma

Calculations are made of the plasma spectral background, which is important for the Thomson scattering diagnostics in the ITER divertor. Theoretical grounds have been elaborated for computing the hydrogen spectral line shapes in the infrared spectral region for a divertor plasma in ITER. The shape of the P-7 Paschen line (transition n = 7 {yields} n = 3) located near the laser scattering signal has been calculated for various lines of sight in the ITER divertor. Contributions from different mechanisms of broadening the P-7 line have been examined. The spectral intensities of bremsstrahlung and photorecombination continuum have been calculated. All calculations use data on the spatial distribution of temperatures and densities of all species of plasma particles computed with the SOLPS4.3 code for basic operation regimes of the ITER divertor.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1994

TOPEX/POSEIDON tides estimated using a global inverse model

Altimetric data from the TOPEX/POSEIDON mission will be used for studies of global ocean circulation and marine geophysics. However, it is first necessary to remove the ocean tides, which are aliased in the raw data. The tides are constrained by the two distinct types of information: the hydrodynamic equations which the tidal fields of elevations and velocities must satisfy, and direct observational data from tide gauges and satellite altimetry. Here we develop and apply a generalized inverse method, which allows us to combine rationally all of this information into global tidal fields best fitting both the data and the dynamics, in a least squares sense. The resulting inverse solution is a sum of the direct solution to the astronomically forced Laplace tidal equations and a linear combination of the representers for the data functionals. The representer functions (one for each datum) are determined by the dynamical equations, and by our prior estimates of the statistics or errors in these equations. Our major task is a direct numerical calculation of these representers. This task is computationally intensive, but well suited to massively parallel processing. By calculating the representers we reduce the full (infinite dimensional) problem to a relatively low-dimensional problem at the outset, allowing full control over the conditioning and hence the stability of the inverse solution. With the representers calculated we can easily update our model as additional TOPEX/POSEIDON data become available. As an initial illustration we invert harmonic constants from a set of 80 open-ocean tide gauges. We then present a practical scheme for direct inversion of TOPEX/POSEIDON crossover data. We apply this method to 38 cycles of geophysical data records (GDR) data, computing preliminary global estimates of the four principal tidal constituents, M(sub 2), S(sub 2), K(sub 1) and O(sub 1). The inverse solution yields tidal fields which are simultaneously smoother, and in better agreement with altimetric and ground truth data, than previously proposed tidal models. Relative to the 'default' tidal corrections provided with the TOPEX/POSEIDON GDR, the inverse solution reduces crossover difference variances significantly (approximately 20-30%), even though only a small number of free parameters (approximately equal to 1000) are actually fit to the crossover data.

Egbert, Gary D.↗

NASA NTRS1991

Compiling and editing agricultural strata boundaries with remotely sensed imagery and map attribute data using graphics workstations

The USDA presently uses labor-intensive photographic interpretation procedures to delineate large geographical areas into manageable size sampling units for the estimation of domestic crop and livestock production. Computer software to automate the boundary delineation procedure, called the computer-assisted stratification and sampling (CASS) system, was developed using a Hewlett Packard color-graphics workstation. The CASS procedures display Thematic Mapper (TM) satellite digital imagery on a graphics display workstation as the backdrop for the onscreen delineation of sampling units. USGS Digital Line Graph (DLG) data for roads and waterways are displayed over the TM imagery to aid in identifying potential sample unit boundaries. Initial analysis conducted with three Missouri counties indicated that CASS was six times faster than the manual techniques in delineating sampling units.

Cheng, Thomas D.↗

NASA NTRSDate not supplied

Effect of Electronic Shot Noise on Dynamic Measurements using Optical Techniques: Examples from Rayleigh Scattering and Unsteady PSP

Electronic shot noise is an unavoidable reality in all optical techniques that depend on measuring light intensity. For steady-state, time-averaged measurements the impact of shot noise can be easily reduced by increasing the exposure time, or by averaging over multiple-exposures. That is not the case for unsteady measurements, where time histories of light intensity variations need to be created either by high-speed photography (unsteady PSP) or via photoelectron counting (spectrally resolved Rayleigh scattering) over short time durations using a photo-multiplier tube (PMT) and photon counting electronics. Electronic shot noise introduces a fixed amount of random error, which can overwhelm the light intensity variation caused by turbulent fluctuations. Spectrum computed from such time series shows a fixed noise floor that is independent of the number of data points in the time series. For a fixed optical system, where the collected power of the luminescent light (uPSP), or the scattered light (Rayleigh) is fixed, one needs to resort to special techniques to obtain enough signal-to noise ratio (SNR). For the uPSP application it is shown that averaging of the adjacent pixels improves SNR; although this may lead to a sacrifice of spatial resolution. A second means is to increase the exposure time, which leads to a lowering of the frequency range. For the Rayleigh application, improvements of SNR can be achieved via two different cross-correlation based approaches. The first involves measuring the light intensity using two PMTs using short, contiguous gates; thereby, creating two time-series of data. The second one involves collecting one long time-series of data using one set of measurement device, followed by an odd-even splitting into two time series. When the two time-series are cross-correlated, and a power spectrum is calculated, a significant reduction in the shot noise floor can be achieved. Examples from measurements of density and velocity fluctuations spectra from two different Rayleigh setup are presented to demonstrate the process.

uPSP↗

NASA NTRSDate not supplied

Comparison of Ring Diagrams Based on the Doppler Shifts of Synthetic Data Obtained with Bisector Method and SDO/HMI Pipeline

Ring diagrams are cross-sections of three-dimensional spatiotemporal power spectra of solar oscillations. The rings reveal information about sub-surface flows and represent an important tool for helioseismology. Ring diagrams can be constructed using Doppler velocity or intensity maps of spectral lines. How the velocities are computed is an important factor for accuracy of information we can retrieve on subsurface flows. In our work, the ring diagrams are generated from Doppler shift data of synthesized Fe I 6173 Å line. We compare ring diagrams computed by two methods–HMI line-of-sight pipeline and the bisector of Fe line. Fe I line is synthesized for StellarBox 3D Radiative hydrodynamic simulations under LTE assumption. We aim to answer the following questions: 1.How do power spectra obtained from velocities computed with the HMI pipeline and bisector of the Fe I 6173Å compare? 2.How do the power spectral density retrieved with each method vary with heliocentric angle? 3.What is the effect of changing resolution on the power spectral density in ring diagrams obtained with the two methods?

SMD↗

DOE OSTI2013

What is Data-Intensive Science?

What is Data Intensive Science? Today we are living in a digital world, where scientists often no longer interact directly with the physical object of their research, but do so via digitally captured, reduced, calibrated, analyzed, synthesized and, at times, visualized data. Advances in experimental and computational technologies have lead to an exponential growth in the volumes, variety and complexity of this data and while the deluge is not happening everywhere in an absolute sense, it is in a relative one. Science today is data intensive. Data intensive science has the potential to transform not only how we do science, but how quickly we can translate scientific progress into complete solutions, policies, decisions and ultimately economic success. Critically, data intensive science touches some of the most important challenges we are facing. Consider a few of the grand challenges outlined by the U.S. National Academy of Engineering: make solar energy economical, provide energy from fusion, develop carbon sequestration methods, advance health informatics, engineer better medicines, secure cyberspace, and engineer the tools of scientific discovery. Arguably, meeting any of these challenges requires the collaborative effort of trans-disciplinary teams, but also significant contributions from enabling data intensive technologies. Indeed for many of them, advances in data intensive research will be the single most important factor in developing successful and timely solutions. Simple extrapolations of how we currently interact with and utilize data and knowledge are not sufficient to meet this need. Given the importance of these challenges, a new, bold vision for the role of data in science, and indeed how research will be conducted in a data intensive environment is evolving.

Data Intensive Science↗

DOE OSTI2020

Data Driven Online Learning of Power System Dynamics

With the advancement of sensing and communication in power networks, high-frequency real-time data from a power network can be used as a resource to develop better monitoring capabilities. In this work, a systematic approach based on data-driven operator theoretic methods involving Koopman operator is proposed for the online identification of power system dynamics. In particular, a new algorithm is provided, which unlike any previously existing algorithms, updates the Koopman operator iteratively as new data points are acquired. The proposed algorithm has three advantages: a) allows for real-time monitoring of the power system dynamics b) linear power system dynamics (this linear system is usually in a higher dimensional feature space and is not same as linearization of the underlying nonlinear dynamics) and c) computationally fast and less intensive when compared to the popular Extended Dynamic Mode Decomposition (EDMD) algorithm. The efficiency of the proposed algorithm is illustrated on an IEEE 9 bus system using synthetic data from the nonlinear model and on IEEE 39 bus system using synthetic data from the linearized model.

Sinha, Subhrajit↗

DOE OSTI2026

Uncertain quantum computing futures and potential energy and physical resource impacts at scale

Considerable attention has recently focused on the vast energy and water demands of supercomputing, namely large-scale data centers that underpin artificial intelligence (AI), one of the great disruptors of contemporary society. Looking ahead some years from now, quantum computing is poised to disrupt established computing paradigms once again. Scientists and engineers are now working intensely to bring this century-old dream of physicists to fruition. Yet, as quantum computers begin to be integrated with classical supercomputing architectures, the implications for energy and physical resource use also need to be understood, especially how they compare to today’s AI data centers. These impacts have not yet been quantified by the research community – a notable gap in the literature, even if commercial-scale deployment of Quantum-Accelerated Computing Infrastructure (QuACI) is not expected for a few more years. This study is the first to conduct such an assessment. Using publicly available information from academic sources and private industry, we characterize multiple configurations of superconducting qubit-based, fault-tolerant quantum computers (FTQC) that could plausibly be deployed at scale in the 2030s and into the 2040s. By parameterizing these FTQC systems at a process level, we conduct a prospective scenario analysis to quantify their energy and physical resource needs. While these estimates are uncertain, given the current state of quantum technologies and their unknown future trajectories, important insights can already be drawn. One key finding is that while the electricity needs for a fleet of FTQCs are within the bounds of previous modeling studies that have explored high electricity demand futures, the needs for certain physical resources, namely water and helium-3, could pose bottlenecks to QuACI scale-up.

Computing↗

DOE OSTI2013

Whole breast and excision cavity radiotherapy plan comparison: Conformal radiotherapy with sequential boost versus intensity-modulated radiation therapy with a simultaneously integrated boost

A comparative study was conducted comparing the difference between (1) conformal radiotherapy (CRT) to the whole breast with sequential boost excision cavity plans and (2) intensity-modulated radiation therapy (IMRT) to the whole breast with simultaneously integrated boost to the excision cavity. The computed tomography (CT) data sets of 25 breast cancer patients were used and the results analysed to determine if either planning method produced superior plans. CT data sets from 25 past breast cancer patients were planned using (1) CRT prescribed to 50 Gy in 25 fractions (Fx) to the whole-breast planning target volume (PTV) and 10 Gy in 5Fx to the excision cavity and (2) IMRT prescribed to 60 Gy in 25Fx, with 60 Gy delivered to the excision cavity PTV and 50 Gy delivered to the whole-breast PTV, treated simultaneously. In total, 50 plans were created, with each plan evaluated by PTV coverage using conformity indices, plan maximum dose, lung dose, and heart maximum dose for patients with left-side lesions. CRT plans delivered the lowest plan maximum doses in 56% of cases (average CRT = 6314.34 cGy, IMRT = 6371.52 cGy). They also delivered the lowest mean lung dose in 68% of cases (average CRT = 1206.64 cGy, IMRT = 1288.37 cGy) and V20 in 88% of cases (average CRT = 20.03%, IMRT = 21.73%) and V30 doses in 92% of cases (average CRT = 16.82%, IMRT = 17.97%). IMRT created more conformal plans, using both conformity index and conformation number, in every instance, and lower heart maximum doses in 78.6% of cases (average CRT = 5295.26 cGy, IMRT = 5209.87 cGy). IMRT plans produced superior dose conformity and shorter treatment duration, but a slightly higher planning maximum and increased lung doses. IMRT plans are also faster to treat on a daily basis, with shorter fractionation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2014

Big-Data RHEED analysis for understanding epitaxial film growth processes

Reflection high energy electron diffraction (RHEED) has by now become a standard tool for in-situ monitoring of film growth by pulsed laser deposition and molecular beam epitaxy. Yet despite the widespread adoption and wealth of information in RHEED image, most applications are limited to observing intensity oscillations of the specular spot, and much additional information on growth is discarded. With ease of data acquisition and increased computation speeds, statistical methods to rapidly mine the dataset are now feasible. Here, we develop such an approach to the analysis of the fundamental growth processes through multivariate statistical analysis of RHEED image sequence. This approach is illustrated for growth of LaxCa1-xMnO3 films grown on etched (001) SrTiO3 substrates, but is universal. The multivariate methods including principal component analysis and k-means clustering provide insight into the relevant behaviors, the timing and nature of a disordered to ordered growth change, and highlight statistically significant patterns. Fourier analysis yields the harmonic components of the signal and allows separation of the relevant components and baselines, isolating the assymetric nature of the step density function and the transmission spots from the imperfect layer-by-layer (LBL) growth. These studies show the promise of big data approaches to obtaining more insight into film properties during and after epitaxial film growth. Furthermore, these studies open the pathway to use forward prediction methods to potentially allow significantly more control over growth process and hence final film quality.

Big-Data↗

DOE OSTI2026

Tachyon: Intelligent Multi-Scale Modeling of Distributed Resilient Infrastructure and Workflows for Data Intensive HEP Analyses

The DOE High Energy Physics (HEP) program in Neutrino and Collider science drives data-intensive science and simulation on extreme-scale platforms. Modeling and optimizing the complex distributed components from experimental to leadership computing facilities are essential for HEP workflows to achieve required response times and resilience under various conditions. Tachyon proposes a framework for scalable modeling, simulation, and validation of key performance characteristics for the distributed infrastructure between FNAL and ALCF, along with associated HEP workflows.

Carothers, Chris [Rensselaer Poly.]↗

DOE OSTI2026

Tachyon: Intelligent Multi-Scale Modeling of Distributed Resilient Infrastructure and Workflows for Data Intensive HEP Analyses

Carothers, Chris [Rensselaer Poly.]↗

NASA NTRS1976

Preliminary weight and costs of sandwich panels to distribute concentrated loads

Minimum mass honeycomb sandwich panels were sized for transmitting a concentrated load to a uniform reaction through various distances. The form skin gages were fully stressed with a finite element computer code. The panel general stability was evaluated with a buckling computer code labeled STAGS-B. Two skin materials were considered; aluminum and graphite-epoxy. The core was constant thickness aluminum honeycomb. Various panel sizes and load levels were considered. The computer generated data were generalized to allow preliminary least mass panel designs for a wide range of panel sizes and load intensities. An assessment of panel fabrication cost was also conducted. Various comparisons between panel mass, panel size, panel loading, and panel cost are presented in both tabular and graphical form.

Belleman, G.↗

NASA NTRS1976

MSFC crack growth analysis computer program, version 2 (users manual)

An updated version of the George C. Marshall Space Flight Center Crack Growth Analysis Program is described. The updated computer program has significantly expanded capabilities over the original one. This increased capability includes an extensive expansion of the library of stress intensity factors, plotting capability, increased design iteration capability, and the capability of performing proof test logic analysis. The technical approaches used within the computer program are presented, and the input and output formats and options are described. Details of the stress intensity equations, example data, and example problems are presented.

Creager, M.↗

NASA NTRS1989

Speckle interferometry using fiber optic phase stepping

A system employing closed-loop phase-stepping is used to measure the out-of-plane deformation of a diffusely reflecting object. Optical fibers are used to provide reference and object beam illumination for a standard two-beam speckle interferometer, providing set-up flexibility and ease of alignment. Piezoelectric fiber-stretchers and a phase-measurement/servo system are used to provide highly accurate phase steps. Intensity data is captured with a charge-injection-device camera, and is converted into a phase map using a desktop computer. The closed-loop phase-stepping system provides 90 deg phase steps which are accurate to 0.02 deg, greatly improving this system relative to open-loop interferometers. The system is demonstrated on a speckle interferometer, measuring the rigid-body translation of a diffusely reflecting object with an accuracy + or - 10 deg, or roughly + or - 15 nanometers. This accuracy is achieved without the use of a pneumatically mounted optics table.

Mercer, Carolyn R.↗

NASA NTRS2003

Image Processor Electronics (IPE): The High-Performance Computing System for NASA SWIFT Mission

Gamma Ray Bursts (GRBs) are believed to be the most powerful explosions that have occurred in the Universe since the Big Bang and are a mystery to the scientific community. Swift, a NASA mission that includes international participation, was designed and built in preparation for a 2003 launch to help to determine the origin of Gamma Ray Bursts. Locating the position in the sky where a burst originates requires intensive computing, because the duration of a GRB can range between a few milliseconds up to approximately a minute. The instrument data system must constantly accept multiple images representing large regions of the sky that are generated by sixteen gamma ray detectors operating in parallel. It then must process the received images very quickly in order to determine the existence of possible gamma ray bursts and their locations. The high-performance instrument data computing system that accomplishes this is called the Image Processor Electronics (IPE). The IPE was designed, built and tested by NASA Goddard Space Flight Center (GSFC) in order to meet these challenging requirements. The IPE is a small size, low power and high performing computing system for space applications. This paper addresses the system implementation and the system hardware architecture of the IPE. The paper concludes with the IPE system performance that was measured during end-to-end system testing.

Nguyen, Quang H.↗

NASA NTRS1988

Distributed interactive graphics applications in computational fluid dynamics

Implementation of two interactive, distributed graphics programs used in Computational Fluid Dynamics is discussed. Both programs run on a Cray 2 supercomputer and use a Silicon Graphics Iris workstation as the graphics front-end machine. The hardware and supporting software is from the Numerical Aerodynamic Simulation project. Using this configuration, the supercomputer does all of the numerically intensive work and the workstation allows the user to perform real-time interactive transformations on the displayed data. The first program was written originally as a distributed program which computes particle traces for fluid flow solutions existing on the supercomputer. The second is an older post-processing and plotting program which was modified to run in a distributed mode. Both programs have realized a large increase in capability as a distributed process. Some graphical results are presented.

Rogers, Stuart E.↗