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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Iterative pass optimization of sequence data

The problem of determining the minimum-cost hypothetical ancestral sequences for a given cladogram is known to be NP-complete. This "tree alignment" problem has motivated the considerable effort placed in multiple sequence alignment procedures. Wheeler in 1996 proposed a heuristic method, direct optimization, to calculate cladogram costs without the intervention of multiple sequence alignment. This method, though more efficient in time and more effective in cladogram length than many alignment-based procedures, greedily optimizes nodes based on descendent information only. In their proposal of an exact multiple alignment solution, Sankoff et al. in 1976 described a heuristic procedure--the iterative improvement method--to create alignments at internal nodes by solving a series of median problems. The combination of a three-sequence direct optimization with iterative improvement and a branch-length-based cladogram cost procedure, provides an algorithm that frequently results in superior (i.e., lower) cladogram costs. This iterative pass optimization is both computation and memory intensive, but economies can be made to reduce this burden. An example in arthropod systematics is discussed. c2003 The Willi Hennig Society. Published by Elsevier Science (USA). All rights reserved.

NASA Discipline Evolutionary Biology↗
NASA NTRS1998

Computational Modeling of Vertical-Cavity Surface-Emitting Lasers

Vertical-Cavity Surface-Emitting Lasers (VCSELs) have become increasingly important for many applications, such as optical interconnects and optical data storages. In many applications, critical requirements are very often high beam quality and/or high output powers. To help the design and optimization of VCSELs for such applications, it is essential to have a simulation model that includes the time evolution of the transverse space dependence of the hewn. Such models allow arbitrary transverse profiles of laser intensity or carrier density to develop in time without any a priori assumption about the number and types of transverse modes. In addition, extensive research in the past has shown that many-body effects are important in influencing the optical gain and the refractive index of semiconductor quantum wells. It is thus important to include the key many-body effects in simulation models for semiconductor lasers. A computational model, called the Maxwell-Effective Bloch Equations (MEBE) was developed recently that simulates the above features and effects. This model combines the space-time resolution with microscopic many-body effects in a way that is both accurate enough and computationally manageable. This model has been used to simulate edge-emitting high power lasers recently. A new finite-difference algorithm has been developed for solving these equations and will be shown in the presentation. That algorithm will be used to calculate the detailed time evolution of the transverse mode profiles of VCSELs. The VCSELs are based on InGaAs/GaAs quantum well structures. Effects of pumping current and refractive index profiles will be investigated in detail. The simulation results will be compared with other results the use the rate-equation model.

Goorjian, Peter M.↗
NASA NTRS1998

Computational Nonlinear of Vertical-Cavity Surface-Emitting Lasers

Vertical-Cavity Surface-Emitting Lasers (VCSELs) have become increasingly important for many applications, such as optical interconnects and optical data storages. In many applications, critical requirements are very often high beam quality and/or high output powers. To help the design and optimization of VCSELs for such applications, it is essential to have a simulation model that includes the time evolution of the transverse space dependence of the beam. Such models allow arbitrary transverse profiles of laser intensity or carrier density to develop in time without any a priori assumption about the number and types of transverse modes. In addition, extensive research in the past has shown that many-body effects are important in influencing the optical gain and the refractive index of semiconductor quantum wells. It is thus important to include the key many-body effects in simulation models for semiconductor lasers. A computational model, called the Maxwell-Effective Bloch Equations (MEBE) was developed recently that simulates the above features and effects. This model combines the space-time resolution with microscopic many-body effects in a way that is both accurate enough and computationally manageable. This model has been used to simulate edge-emitting high power lasers recently. A new finite-difference algorithm has been developed for solving these equations and will be shown in the presentation. That algorithm will be used to calculate the detailed time evolution of the transverse mode profiles of VCSELs. The VCSELs are based on InGaAs/GaAs quantum well structures. Effects of pumping current and refractive index profiles will be investigated in detail. The simulation results will be compared with other results the use the rate-equation model.

Goorjian, Peter M.↗
DOE OSTI2020

Temperature-dependent phonon lifetimes and thermal conductivity of silicon by inelastic neutron scattering and ab initio calculations

In this paper, inelastic neutron scattering on a single crystal of silicon was performed at temperatures from 100 to 1500 K. These experimental data were reduced to obtain phonon spectral intensity at all wave vectors $\overset{→}{Q}$ and frequencies ω in the first Brillouin zone. Thermal broadenings of the phonon peaks were obtained by fitting and by calculating with an iterative ab initio method that uses thermal atom displacements on an ensemble of superlattices. Agreement between the calculated and experimental broadenings was good, with possible discrepancies at the highest temperatures. Distributions of phonon widths versus phonon energy had similar shapes for computation and experiment. These distributions grew with temperature but maintained similar shapes. Parameters from the ab initio calculations were used to obtain the thermal conductivity from the Boltzmann transport equation, which was in good agreement with experimental data. Despite the high group velocities of longitudinal acoustic phonons, their shorter lifetimes reduced their contribution to the thermal conductivity, which was dominated by transverse acoustic modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Petascale direct numerical simulation of turbulent combustion—fundamental insights towards predictive models

The advent of petascale computing applied to direct numerical simulation (DNS) of turbulent combustion has transformed our ability to interrogate fine-grained ‘turbulence-chemistry’ interactions in canonical and laboratory configurations. In particular, three-dimensional DNS, at moderate Reynolds numbers and with complex chemistry, is providing unprecedented levels of detail to isolate and reveal fundamental causal relationships between turbulence, mixing and reaction. This information is leading to new physical insight, providing benchmark data for assessing model assumptions, suggesting new closure hypotheses, and providing interpretation of statistics obtained from lower-dimensional measurements. In this paper the various roles of petascale DNS are illustrated through selected examples related to lifted flame stabilization, premixed and stratified flame propagation in intense turbulence, and extinction and reignition in turbulent non-premixed jet flames. Extending the DNS envelope to higher Reynolds numbers, higher pressures, and greater chemical complexity will require exascale computing in the next decade. The future outlook of DNS in terms of challenges and opportunities in this regard are addressed.

Energy & Fuels↗
DOE OSTI2011

Designing Energy Efficient Communication Runtime Systems: A View from PGAS Models

As the march to the Exascale computing gains momentum, energy consumption of supercomputers has emerged to be the critical roadblock. While architectural innovations are imperative in achieving computing of this scale, it is largely dependent on the systems software to leverage the architectural innovations. Parallel applications in many computationally intensive domains have been designed to leverage these supercomputers, with legacy two-sided communication semantics using Message Passing Interface. At the same time, Partitioned Global Address Space Models are being designed which provide global address space abstractions and one-sided communication for exploiting data locality and communication optimizations. PGAS models rely on one-sided communication runtime systems for leveraging high-speed networks to achieve best possible performance. In this paper, we present a design for Power Aware One-Sided Communication Library - PASCoL. The proposed design detects communication slack, leverages Dynamic Voltage and Frequency Scaling (DVFS) and Interrupt driven execution to exploit the detected slack for energy efficiency. We implement our design and evaluate it using synthetic benchmarks for one-sided communication primitives, Put, Get and Accumulate and uniformly non-contiguous data transfers. Our performance evaluation indicates that we can achieve significant reduction in energy consumption without performance loss on multiple one-sided communication primitives. The achieved results are close to the theoretical peak available with the experimental test bed.

Vishnu, Abhinav↗
DOE OSTI2022

tapir: A tool for topologies, amplitudes, partial fraction decomposition and input for reductions

The demand for precision predictions in the field of high energy physics has dramatically increased over recent years. Experiments conducted at the LHC, as well as precision measurements at the intensity frontier such as Belle II require equally precise theoretical predictions to make full use of the acquired data. To match the experimental precision, second-, third- and, for certain quantities, even higher-order calculations in perturbative quantum field theory are required. To facilitate such calculations, computer software automating as many steps as possible is required. Yet, each calculation poses different challenges and thus, a high level of configurability is required. In this context we present tapir: a tool for identification, manipulation and minimization of Feynman integral families. It is designed to integrate in toolchains based on the computer algebra system FORM, the use of which is common practice in the field. tapir can be used to reduce the complexity of multi-loop problems with cut-filters, topology mapping, partial fraction decomposition and alike. Program Title:tapir CPC Library link to program files:https://doi.org/10.17632/ptc9t46xyn.1 Developer's repository link:https://gitlab.com/tapir-devs/tapir Licensing provisions: GPLv3 Programming language:python 3, C++ Nature of problem: Multi-loop computations require the automatization of a large number of different tasks related to Feynman integral topologies. Among them are the identification and minimization of integral topologies, partial fraction decomposition of topologies in the case of linearly dependent propagators as well as mapping scalar products of loop momenta to scalar functions. Solution method: The minimization of topologies is performed by comparison of their respective Nickel indices [1], even further minimization utilizes Pak's algorithm [2]. To efficiently map scalar products of loop momenta to scalar functions FORM [3] code is generated. Additional comments including restrictions and unusual features: Minimization based on Pak's algorithm slows down for many lines and scales. A coarser minimization using the Nickel indices, however, is still possible. [1]B. Nickel, D. Meiron, G.A.J. Baker, Compilation of 2-pt and 4-pt graphs for continuous spin model, Report, University of Guelph, 1977.[2]A. Pak, J. Phys. Conf. Ser. 368 (2012) 012049, https://doi.org/10.1088/1742-6596/368/1/012049, arXiv:1111.0868.[3]B. Ruijl, T. Ueda, J. Vermaseren, FORM version 4.2, arXiv:1707.06453, 7 2017.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

SU-E-T-572: Normal Lung Tissue Sparing in Radiation Therapy for Locally Advanced Non-Small Cell Lung Cancer

Purpose: To compare normal lung-sparing capabilities of three advanced radiation therapy techniques for locally advanced non-small cell lung cancer (LA-NSCLC). Methods: Four-dimensional computed tomography (4DCT) was performed in 10 patients with stage IIIb LA-NSCLC. The internal target volume (ITV); planning target volume (PTV); and organs at risks (OARs) such as spinal cord, total normal lung, heart, and esophagus were delineated for each CT data set. Intensity-modulated radiation therapy (IMRT), Tomohelical-IMRT (TH-IMRT), and TomoDirect-IMRT (TD-IMRT) plans were generated (total prescribed dose, 66 Gy in 33 fractions to the PTV) for each patient. To reduce the normal lung dose, complete and directional block function was applied outside the normal lung far from the target for both TH-IMRT and TD-IMRT, while pseudo- OAR was set in the same region for IMRT. Dosimetric characteristics of the three plans were compared in terms of target coverage, the sparing capability for the OAR, and the normal tissue complication probability (NTCP). Beam delivery efficiency was also compared. Results: TH-IMRT and TD-IMRT provided better target coverage than IMRT plans. Lung volume receiving ≥–30 Gy, mean dose, and NTCP were significant with TH-IMRT than with IMRT (p=0.006), and volume receiving ≥20–30 Gy was lower in TD-IMRT than in IMRT (p<0.05). Compared with IMRT, TH-IMRT had better sparing effect on the spinal cord (Dmax, NTCP) and heart (V45) (p<0.05). NTCP for the spinal cord, V45 and V60 for the heart, and Dmax for the esophagus were significantly lower in TD-IMRT than in IMRT. The monitor units per fraction were clearly smaller for IMRT than for TH-IMRT and TD-IMRT (p=0.006). Conclusion: In LA-NSCLC, TH-IMRT gave superior PTV coverage and OAR sparing compared to IMRT. TH-IMRT provided better control of the lung volume receiving ≥5–30 Gy. The delivery time and monitor units were lower in TD-IMRT than in TH-IMRT.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

Efficient exascale discretizations: High-order finite element methods

Efficient exploitation of exascale architectures requires rethinking of the numerical algorithms used in many large-scale applications. These architectures favor algorithms that expose ultra fine-grain parallelism and maximize the ratio of floating point operations to energy intensive data movement. One of the few viable approaches to achieve high efficiency in the area of PDE discretizations on unstructured grids is to use matrix-free/partially assembled high-order finite element methods, since these methods can increase the accuracy and/or lower the computational time due to reduced data motion. In this paper we provide an overview of the research and development activities in the Center for Efficient Exascale Discretizations (CEED), a co-design center in the Exascale Computing Project that is focused on the development of next-generation discretization software and algorithms to enable a wide range of finite element applications to run efficiently on future hardware. CEED is a research partnership involving more than 30 computational scientists from two US national labs and five universities, including members of the Nek5000, MFEM, MAGMA and PETSc projects. We discuss the CEED co-design activities based on targeted benchmarks, miniapps and discretization libraries and our work on performance optimizations for large-scale GPU architectures. We also provide a broad overview of research and development activities in areas such as unstructured adaptive mesh refinement algorithms, matrix-free linear solvers, high-order data visualization, and list examples of collaborations with several ECP and external applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Seismology in the Cloud: A New Streaming Workflow

Data-intensive research in seismology is experiencing a recent boom, driven in part by large volumes of available data and advances in the growing field of data science. However, there are significant barriers to processing large data volumes, such as long retrieval times from data repositories, complex data management, and limited computational resources. New tools and platforms have reduced the barriers to entry for scientific cluster computing, including the maturation of the commercial cloud as an accessible instrument for research. Here, we build a customized research cluster in the cloud to test a new workflow for large-scale seismic analysis, in which data are processed as a stream (retrieved on-the-fly and acted upon without storing), with data from the Incorporated Research Institutions for Seismology Data Management Center. We use this workflow to deploy a spectral peak detection algorithm over 5.6 TB of compressed continuous seismic data from 2074 stations of the USArray Transportable Array EarthScope network. Using a 50-node cluster in the cloud, we completed the noise survey in 80 hr, with an average data throughput of 1.7 GB per minute. By varying cluster sizes, we find the scaling of our analysis to be sublinear, due to a combination of algorithmic limitations and data center response times. The cloud-based streaming workflow represents an order-of-magnitude increase in acquisition and processing speed compared to a traditional download-store-process workflow, and offers the additional benefits of employing a flexible, accessible, and widely used computing architecture. It is limited, however, due to its reliance on Internet transfer speeds and data center service capacity, and may not work well for repeated analyses or those for which even higher data throughputs are needed. These research applications will require a new class of cloud-native approaches in which both data and analysis are in the cloud.

58 GEOSCIENCES↗
DOE OSTI2024

PHASM: A Toolkit for Creating AI Surrogate Models within Legacy Codebases

PHASM (“Parallel Hardware viA Surrogate Models”) is a software toolkit for creating AI-based surrogate models of scientific code. AI-based surrogate models are widely used for creating fast and inverse simulations. PHASM anticipates an additional future use case: adapting legacy code to modern hardware. While data centers are investing in heterogeneous hardware such as GPUs and FPGAs, many established scientific codebases remain unable to take advantage of the hardware’s higher parallelism without undergoing a costly rewrite. An alternative is to train a AI-based surrogate model to mimic computationally intensive functions in the code, and run the surrogate instead. PHASM formalizes a development lifecycle for such surrogate models, including discovering functions amenable to replacement with a surrogate model, predicting the resulting performance, identifying the function’s space of inputs and outputs, binding the model to the code, and managing model versions. A suite of software tools for facilitating these steps was written and validated against a set of model problems.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1974

Coronal density structures in regions of type III activity

The density of the corona over the active regions generating the type III exciters are examined, taking into account radio data together with daily white light coronal observations obtained with a K-coronameter. The intensity profiles and the synoptic maps derived from the K-corona data make it possible to distinguish between dense structures and low intensity regions. A deconvolution technique developed by Leblanc et al. (1970) is applied to calculate the electron density of these structures. For the low intensity regions van de Hulst's (1950) method has been used to compute the electron density of models.

Leblanc, Y.↗
NASA NTRS1976

A study of meteor spectroscopy and physics from earth-orbit: A preliminary survey into ultraviolet meteor spectra

Preliminary data required to extrapolate available meteor physics information (obtained in the photographic, visual and near ultraviolet spectral regions) into the middle and far ultraviolet are presented. Wavelength tables, telluric attenuation factors, meteor rates, and telluric airglow data are summarized in the context of near-earth observation vehicle parameters using moderate to low spectral resolution instrumentation. Considerable attenuation is given to the problem of meteor excitation temperatures since these are required to predict the strength of UV features. Relative line intensities are computed for an assumed chondritic composition. Features of greatest predicted intensities, the major problems in meteor physics, detectability of UV meteor events, complications of spacecraft motion, and UV instrumentation options are summarized.

Meisel, D. D.↗
NASA NTRS1976

A comparison of low-cloud satellite wind estimates with analyses based on aircraft observations in a disturbed tropical regime

Low-level, ATS-3 satellite wind estimates are compared with values of wind direction and speed interpolated from analyses based on research aircraft observations of a synoptic tropical wave of moderate intensity on 26 July 1969 during BOMEX. The data were stratified according to whether a satellite estimate was positioned in one of three regions; namely, east or west of the wave trough or north of the disturbance center. When cloud and analysis vector magnitude deviations were computed, regional differences became apparent. These differences are attributed to the physical behavior of the cloud targets tracked under the influence of the surrounding large-scale environment.

Smith, C. L.↗
NASA NTRS1990

A vectorized Lanczos eigensolver for high-performance computers

The computational strategies used to implement a Lanczos-based-method eigensolver on the latest generation of supercomputers are described. Several examples of structural vibration and buckling problems are presented that show the effects of using optimization techniques to increase the vectorization of the computational steps. The data storage and access schemes and the tools and strategies that best exploit the computer resources are presented. The method is implemented on the Convex C220, the Cray 2, and the Cray Y-MP computers. Results show that very good computation rates are achieved for the most computationally intensive steps of the Lanczos algorithm and that the Lanczos algorithm is many times faster than other methods extensively used in the past.

Bostic, Susan W.↗
NASA NTRS1990

Sound transmission through a high-temperature acoustic probe tube

An investigation was conducted of acoustic transmission through a tube subjected to an intense thermal gradient along its axis. The results are of interest in the interpretation of acoustic data from probe tube configurations designed to measure fluctuating pressures in high temperature environments. The measured transfer function across a localized heated region in the tube was compared to a computed transfer function based on a theoretical analysis of propagation through strong temperature gradients. Over the frequency range 0.4 kHz to 6.0 kHz, generally good agreement was obtained between the measured and calculated attenuation across the heated region with some discrepancy occurring at the attenuation minima. Agreement between measured and calculated phase difference was excellent to within the measurement resolution.

Parrott, Tony L.↗
NASA NTRS1991

An expert system for spectroscopic analysis of rocket engine plumes

The expert system described in this paper analyzes spectral emissions of rocket engine exhaust plumes and shows major promise for use in engine health diagnostics. Plume emission spectroscopy is an important tool for diagnosing engine anomalies, but it is time-consuming and requires highly skilled personnel. The expert system was created to alleviate such problems. The system accepts a spectral plot in the form of wavelength vs intensity pairs and finds the emission peaks in the spectrum, lists the elemental emitters present in the data and deduces the emitter that produced each peak. The system consists of a conventional language component and a commercially available inference engine that runs on an Apple Macintosh computer. The expert system has undergone limited preliminary testing. It detects elements well and significantly decreases analysis time.

Reese, Greg↗
NASA NTRS2011

Assessment of Radiative Heating Uncertainty for Hyperbolic Earth Entry

This paper investigates the shock-layer radiative heating uncertainty for hyperbolic Earth entry, with the main focus being a Mars return. In Part I of this work, a baseline simulation approach involving the LAURA Navier-Stokes code with coupled ablation and radiation is presented, with the HARA radiation code being used for the radiation predictions. Flight cases representative of peak-heating Mars or asteroid return are de ned and the strong influence of coupled ablation and radiation on their aerothermodynamic environments are shown. Structural uncertainties inherent in the baseline simulations are identified, with turbulence modeling, precursor absorption, grid convergence, and radiation transport uncertainties combining for a +34% and ..24% structural uncertainty on the radiative heating. A parametric uncertainty analysis, which assumes interval uncertainties, is presented. This analysis accounts for uncertainties in the radiation models as well as heat of formation uncertainties in the flow field model. Discussions and references are provided to support the uncertainty range chosen for each parameter. A parametric uncertainty of +47.3% and -28.3% is computed for the stagnation-point radiative heating for the 15 km/s Mars-return case. A breakdown of the largest individual uncertainty contributors is presented, which includes C3 Swings cross-section, photoionization edge shift, and Opacity Project atomic lines. Combining the structural and parametric uncertainty components results in a total uncertainty of +81.3% and ..52.3% for the Mars-return case. In Part II, the computational technique and uncertainty analysis presented in Part I are applied to 1960s era shock-tube and constricted-arc experimental cases. It is shown that experiments contain shock layer temperatures and radiative ux values relevant to the Mars-return cases of present interest. Comparisons between the predictions and measurements, accounting for the uncertainty in both, are made for a range of experiments. A measure of comparison quality is de ned, which consists of the percent overlap of the predicted uncertainty bar with the corresponding measurement uncertainty bar. For nearly all cases, this percent overlap is greater than zero, and for most of the higher temperature cases (T >13,000 K) it is greater than 50%. These favorable comparisons provide evidence that the baseline computational technique and uncertainty analysis presented in Part I are adequate for Mars-return simulations. In Part III, the computational technique and uncertainty analysis presented in Part I are applied to EAST shock-tube cases. These experimental cases contain wavelength dependent intensity measurements in a wavelength range that covers 60% of the radiative intensity for the 11 km/s, 5 m radius flight case studied in Part I. Comparisons between the predictions and EAST measurements are made for a range of experiments. The uncertainty analysis presented in Part I is applied to each prediction, and comparisons are made using the metrics defined in Part II. The agreement between predictions and measurements is excellent for velocities greater than 10.5 km/s. Both the wavelength dependent and wavelength integrated intensities agree within 30% for nearly all cases considered. This agreement provides confidence in the computational technique and uncertainty analysis presented in Part I, and provides further evidence that this approach is adequate for Mars-return simulations. Part IV of this paper reviews existing experimental data that include the influence of massive ablation on radiative heating. It is concluded that this existing data is not sufficient for the present uncertainty analysis. Experiments to capture the influence of massive ablation on radiation are suggested as future work, along with further studies of the radiative precursor and improvements in the radiation properties of ablation products.

Johnston, Christopher O.↗