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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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Parallel Calculation of Sensitivity Derivatives for Aircraft Design using Automatic Differentiation

Sensitivity derivative (SD) calculation via automatic differentiation (AD) typical of that required for the aerodynamic design of a transport-type aircraft is considered. Two ways of computing SD via code generated by the ADIFOR automatic differentiation tool are compared for efficiency and applicability to problems involving large numbers of design variables. A vector implementation on a Cray Y-MP computer is compared with a coarse-grained parallel implementation on an IBM SP1 computer, employing a Fortran M wrapper. The SD are computed for a swept transport wing in turbulent, transonic flow; the number of geometric design variables varies from 1 to 60 with coupling between a wing grid generation program and a state-of-the-art, 3-D computational fluid dynamics program, both augmented for derivative computation via AD. For a small number of design variables, the Cray Y-MP implementation is much faster. As the number of design variables grows, however, the IBM SP1 becomes an attractive alternative in terms of compute speed, job turnaround time, and total memory available for solutions with large numbers of design variables. The coarse-grained parallel implementation also can be moved easily to a network of workstations.

Bischof, c. H.↗
DOE OSTI2026

Trigonometric continuous-variable gates and hybrid quantum simulations of the sine-Gordon model

Hybrid qubit-qumode quantum computing platforms provide a natural setting for simulating interacting bosonic quantum field theories. However, existing continuous-variable gate constructions rely predominantly on polynomial functions of canonical quadratures. In this work, we introduce a complementary universality paradigm based on trigonometric continuous-variable gates, which enable a Fourier-like representation of bosonic operators and are particularly well suited for periodic and non-perturbative interactions. We present an ancilla-based framework for implementing trigonometric gates with arguments given by arbitrary Hermitian functions of qumode quadratures. The protocol yields unitary gates deterministically, and non-unitary gates through probabilistic post-selection. As a concrete application, we develop a hybrid qubit-qumode quantum simulation of the lattice sine-Gordon model. Using these gates, we prepare ground states via quantum imaginary-time evolution, simulate real-time dynamics, compute time-dependent vertex two-point correlation functions, and extract quantum kink profiles under topological boundary conditions. Our results demonstrate that trigonometric continuous-variable gates provide a physically natural framework for simulating interacting field theories on near-term hybrid quantum hardware, while establishing a parallel route to universality beyond polynomial gate constructions. We expect that the trigonometric gates introduced here to find broader applications, including quantum simulations of condensed matter systems, quantum chemistry, and biological models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Angular dependence of the transverse Raman scattering in KDP and DKDP in geometries suitable for beam polarization control

The angular dependance of the transverse Raman scattering in potassium dihydrogen phosphate (KDP) and its deuterated analogue (DKDP) for the entire range of crystal configurations suitable for laser beam polarization control has been investigated via experimental and modeling tools. This work was made possible by simultaneously rotating a spherical sample and the pump polarization to effectively measure the angular dependance of the transverse Raman signal in 360°. This novel method, which is applicable for the investigation of the Raman scattering in optically anisotropic materials, demonstrates that the spontaneous Raman scattering signal exhibits strong angular dependence that is modulated by depolarization and polarization rotation effects generated as the Raman signal traverses the material due to its birefringence. The results show that the total signal generated by the pump beam is the sum of the signals generated by the two components that have polarization parallel and orthogonal to the optic axis. The peak signal intensity, which is of importance for high-power laser applications, depends on the orientation of the optic axis and can vary by a factor of about 2. The excellent agreement between experimental data and modeling results validates the associated models and enables one to consider optimal crystal cut designs for specific applications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Improving MPI Collective I/O for High Volume Non-Contiguous Requests With Intra-Node Aggregation

Two-phase I/O is a well-known strategy for implementing collective MPI-IO functions. It redistributes I/O requests among the calling processes into a form that minimizes the file access costs. As modern parallel computers continue to grow into the exascale era, the communication cost of such request redistribution can quickly overwhelm collective I/O performance. In this study, this effect has been observed from parallel jobs that run on multiple compute nodes with a high count of MPI processes on each node. Furthermore, to reduce the communication cost, we present a new design for collective I/O by adding an extra communication layer that performs request aggregation among processes within the same compute nodes. This approach can significantly reduce inter-node communication contention when redistributing the I/O requests. We evaluate the performance and compare it with the original two-phase I/O on Cray XC40 parallel computers (Theta and Cori) with Intel KNL and Haswell processors. Using I/O patterns from two large-scale production applications and an I/O benchmark, we show our proposed method effectively reduces the communication cost and hence maintains the scalability for a large number of processes.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2000

Global Design Optimization for Aerodynamics and Rocket Propulsion Components

Modern computational and experimental tools for aerodynamics and propulsion applications have matured to a stage where they can provide substantial insight into engineering processes involving fluid flows, and can be fruitfully utilized to help improve the design of practical devices. In particular, rapid and continuous development in aerospace engineering demands that new design concepts be regularly proposed to meet goals for increased performance, robustness and safety while concurrently decreasing cost. To date, the majority of the effort in design optimization of fluid dynamics has relied on gradient-based search algorithms. Global optimization methods can utilize the information collected from various sources and by different tools. These methods offer multi-criterion optimization, handle the existence of multiple design points and trade-offs via insight into the entire design space, can easily perform tasks in parallel, and are often effective in filtering the noise intrinsic to numerical and experimental data. However, a successful application of the global optimization method needs to address issues related to data requirements with an increase in the number of design variables, and methods for predicting the model performance. In this article, we review recent progress made in establishing suitable global optimization techniques employing neural network and polynomial-based response surface methodologies. Issues addressed include techniques for construction of the response surface, design of experiment techniques for supplying information in an economical manner, optimization procedures and multi-level techniques, and assessment of relative performance between polynomials and neural networks. Examples drawn from wing aerodynamics, turbulent diffuser flows, gas-gas injectors, and supersonic turbines are employed to help demonstrate the issues involved in an engineering design context. Both the usefulness of the existing knowledge to aid current design practices and the need for future research are identified.

Shyy, Wei↗
NASA NTRS2007

More About Software for No-Loss Computing

A document presents some additional information on the subject matter of "Integrated Hardware and Software for No- Loss Computing" (NPO-42554), which appears elsewhere in this issue of NASA Tech Briefs. To recapitulate: The hardware and software designs of a developmental parallel computing system are integrated to effectuate a concept of no-loss computing (NLC). The system is designed to reconfigure an application program such that it can be monitored in real time and further reconfigured to continue a computation in the event of failure of one of the computers. The design provides for (1) a distributed class of NLC computation agents, denoted introspection agents, that effects hierarchical detection of anomalies; (2) enhancement of the compiler of the parallel computing system to cause generation of state vectors that can be used to continue a computation in the event of a failure; and (3) activation of a recovery component when an anomaly is detected.

Edmonds, Iarina↗
DOE OSTI2017

Parallel Spectral Acquisition with Orthogonal ICR Cells

FT-based high performance mass analyzers yield increased resolving power and mass measurement accuracy, yet require increased duration of signal acquisition that can limit many applications. The implementation of stronger magnetic fields, multiple detection electrodes for harmonic signal detection, and an array of multiple mass analyzers arranged along the magnetic field axis have been used to decrease required acquisition time. The results presented here show that multiple ion cyclotron resonance (ICR) mass analyzers can also be implemented orthogonal to the central magnetic field axis. The orthogonal ICR cell system presented here consisting of two cells (master and slave cells) was constructed with printed circuit boards and installed within a single superconducting magnet and vacuum system. A master cell was positioned, as is normally done with ICR cells, on the central magnetic field axis and a slave cell was located off this central axis, but directly adjacent and alongside the master cell. To achieve ion transfer between cells, ions that were initially trapped in the master cell were drifted across the magnetic field into the slave cell with application of a small DC field applied perpendicularly to the magnetic field axis. A subsequent population of ions was injected and accumulated in the master cell. Simultaneous excitation of cyclotron motion of ions in both cells was carried out; ICR signals from each cell were independently amplified and recorded in parallel. Presented here are the initial results of successful parallel spectral acquisition with this orthogonal dual ICR cell array. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2000

Dynamic Load-Balancing for Distributed Heterogeneous Computing of Parallel CFD Problems

The developed methodology is aimed at improving the efficiency of executing block-structured algorithms on parallel, distributed, heterogeneous computers. The basic approach of these algorithms is to divide the flow domain into many sub- domains called blocks, and solve the governing equations over these blocks. Dynamic load balancing problem is defined as the efficient distribution of the blocks among the available processors over a period of several hours of computations. In environments with computers of different architecture, operating systems, CPU speed, memory size, load, and network speed, balancing the loads and managing the communication between processors becomes crucial. Load balancing software tools for mutually dependent parallel processes have been created to efficiently utilize an advanced computation environment and algorithms. These tools are dynamic in nature because of the chances in the computer environment during execution time. More recently, these tools were extended to a second operating system: NT. In this paper, the problems associated with this application will be discussed. Also, the developed algorithms were combined with the load sharing capability of LSF to efficiently utilize workstation clusters for parallel computing. Finally, results will be presented on running a NASA based code ADPAC to demonstrate the developed tools for dynamic load balancing.

Ecer, A.↗
NASA NTRS1994

Applications of Thin Film Thermocouples for Surface Temperature Measurement

Thin film thermocouples provide a minimally intrusive means of measuring surface temperature in hostile, high temperature environments. Unlike wire thermocouples, thin films do not necessitate any machining of the surface, therefore leaving intact its structural integrity. Thin films are many orders of magnitude thinner than wire, resulting in less disruption to the gas flow and thermal patterns that exist in the operating environment. Thin film thermocouples have been developed for surface temperature measurement on a variety of engine materials. The sensors are fabricated in the NASA Lewis Research Center's Thin Film Sensor Lab, which is a class 1000 clean room. The thermocouples are platinum-13 percent rhodium versus platinum and are fabricated by the sputtering process. Thin film-to-leadwire connections are made using the parallel-gap welding process. Thermocouples have been developed for use on superalloys, ceramics and ceramic composites, and intermetallics. Some applications of thin film thermocouples are: temperature measurement of space shuttle main engine turbine blade materials, temperature measurement in gas turbine engine testing of advanced materials, and temperature and heat flux measurements in a diesel engine. Fabrication of thin film thermocouples is described. Sensor durability, drift rate, and maximum temperature capabilities are addressed.

Martin, Lisa C.↗
NASA NTRS2010

NASA Tech Briefs, September 2010

Topics covered include: Instrument for Measuring Thermal Conductivity of Materials at Low Temperatures; Multi-Axis Accelerometer Calibration System; Pupil Alignment Measuring Technique and Alignment Reference for Instruments or Optical Systems; Autonomous System for Monitoring the Integrity of Composite Fan Housings; A Safe, Self-Calibrating, Wireless System for Measuring Volume of Any Fuel at Non-Horizontal Orientation; Adaptation of the Camera Link Interface for Flight-Instrument Applications; High-Performance CCSDS Encapsulation Service Implementation in FPGA; High-Performance CCSDS AOS Protocol Implementation in FPGA; Advanced Flip Chips in Extreme Temperature Environments; Diffuse-Illumination Systems for Growing Plants; Microwave Plasma Hydrogen Recovery System; Producing Hydrogen by Plasma Pyrolysis of Methane; Self-Deployable Membrane Structures; Reactivation of a Tin-Oxide-Containing Catalys; Functionalization of Single-Wall Carbon Nanotubes by Photo-Oxidation; Miniature Piezoelectric Macro-Mass Balance; Acoustic Liner for Turbomachinery Applications; Metering Gas Strut for Separating Rocket Stages; Large-Flow-Area Flow-Selective Liquid/Gas Separator; Counterflowing Jet Subsystem Design; Water Tank with Capillary Air/Liquid Separation; True Shear Parallel Plate Viscometer; Focusing Diffraction Grating Element with Aberration Control; Universal Millimeter-Wave Radar Front End; Mode Selection for a Single-Frequency Fiber Laser; Qualification and Selection of Flight Diode Lasers for Space Applications; Plenoptic Imager for Automated Surface Navigation; Maglev Facility for Simulating Variable Gravity; Hybrid AlGaN-SiC Avalanche Photodiode for Deep-UV Photon Detection; High-Speed Operation of Interband Cascade Lasers; 3D GeoWall Analysis System for Shuttle External Tank Foreign Object Debris Events; Charge-Spot Model for Electrostatic Forces in Simulation of Fine Particulates; Hidden Statistics Approach to Quantum Simulations; Reconstituted Three-Dimensional Interactive Imaging; Determining Atmospheric-Density Profile of Titan; Digital Microfluidics Sample Analyzer; Radiation Protection Using Carbon Nanotube Derivatives; Process to Selectively Distinguish Viable from Non-Viable Bacterial Cells; and TEAMS Model Analyzer.

Source record↗
NASA NTRS1994

VLSI neuroprocessors

Electronic and optoelectronic hardware implementations of highly parallel computing architectures address several ill-defined and/or computation-intensive problems not easily solved by conventional computing techniques. The concurrent processing architectures developed are derived from a variety of advanced computing paradigms including neural network models, fuzzy logic, and cellular automata. Hardware implementation technologies range from state-of-the-art digital/analog custom-VLSI to advanced optoelectronic devices such as computer-generated holograms and e-beam fabricated Dammann gratings. JPL's concurrent processing devices group has developed a broad technology base in hardware implementable parallel algorithms, low-power and high-speed VLSI designs and building block VLSI chips, leading to application-specific high-performance embeddable processors. Application areas include high throughput map-data classification using feedforward neural networks, terrain based tactical movement planner using cellular automata, resource optimization (weapon-target assignment) using a multidimensional feedback network with lateral inhibition, and classification of rocks using an inner-product scheme on thematic mapper data. In addition to addressing specific functional needs of DOD and NASA, the JPL-developed concurrent processing device technology is also being customized for a variety of commercial applications (in collaboration with industrial partners), and is being transferred to U.S. industries. This viewgraph p resentation focuses on two application-specific processors which solve the computation intensive tasks of resource allocation (weapon-target assignment) and terrain based tactical movement planning using two extremely different topologies. Resource allocation is implemented as an asynchronous analog competitive assignment architecture inspired by the Hopfield network. Hardware realization leads to a two to four order of magnitude speed-up over conventional techniques and enables multiple assignments, (many to many), not achievable with standard statistical approaches. Tactical movement planning (finding the best path from A to B) is accomplished with a digital two-dimensional concurrent processor array. By exploiting the natural parallel decomposition of the problem in silicon, a four order of magnitude speed-up over optimized software approaches has been demonstrated.

Kemeny, Sabrina E.↗
DOE OSTI2017

A derivation and scalable implementation of the synchronous parallel kinetic Monte Carlo method for simulating long-time dynamics

Kinetic Monte Carlo (KMC) simulations are used to study long-time dynamics of a wide variety of systems. Unfortunately, the conventional KMC algorithm is not scalable to larger systems, since its time scale is inversely proportional to the simulated system size. A promising approach to resolving this issue is the synchronous parallel KMC (SPKMC) algorithm, which makes the time scale size-independent. This paper introduces a formal derivation of the SPKMC algorithm based on local transition-state and time-dependent Hartree approximations, as well as its scalable parallel implementation based on a dual linked-list cell method. The resulting algorithm has achieved a weak-scaling parallel efficiency of 0.935 on 1024 Intel Xeon processors for simulating biological electron transfer dynamics in a 4.2 billion-heme system, as well as decent strong-scaling parallel efficiency. The parallel code has been used to simulate a lattice of cytochrome complexes on a bacterial-membrane nanowire, and it is broadly applicable to other problems such as computational synthesis of new materials.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

A Framework to Analyze the Performance of Load Balancing Schemes for Ensembles of Stochastic Simulations

Ensembles of simulations are employed to estimate the statistics of possible future states of a system, and are widely used in important applications such as climate change and biological modeling. Ensembles of runs can naturally be executed in parallel. However, when the CPU times of individual simulations vary considerably, a simple strategy of assigning an equal number of tasks per processor can lead to serious work imbalances and low parallel efficiency. This paper presents a new probabilistic framework to analyze the performance of dynamic load balancing algorithms for ensembles of simulations where many tasks are mapped onto each processor, and where the individual compute times vary considerably among tasks. Four load balancing strategies are discussed: most-dividing, all-redistribution, random-polling, and neighbor-redistribution. Simulation results with a stochastic budding yeast cell cycle model are consistent with the theoretical analysis. It is especially significant that there is a provable global decrease in load imbalance for the local rebalancing algorithms due to scalability concerns for the global rebalancing algorithms. The overall simulation time is reduced by up to 25 %, and the total processor idle time by 85 %.

ALGORITHMS↗
DOE OSTI2022

Novel self-assembled two-dimensional layered oxide structure incorporated with Au nanoinclusions towards multifunctionalities

Two-dimensional (2D) layered oxides have recently attracted wide attention owing to the strong coupling among charges, spins, lattice, and strain, which allows great flexibility and opportunities in structure designs as well as multifunctionality exploration. In parallel, plasmonic hybrid nanostructures exhibit exotic localized surface plasmon resonance (LSPR) providing a broad range of applications in nanophotonic devices and sensors. A hybrid material platform combining the unique multifunctional 2D layered oxides and plasmonic nanostructures brings optical tuning into the new level. Here, a novel self-assembled Bi 2 MoO 6 (BMO) 2D layered oxide incorporated with plasmonic Au nanoinclusions has been demonstrated via one-step pulsed laser deposition (PLD) technique. Comprehensive microstructural characterizations, including scanning transmission electron microscopy (STEM), differential phase contrast imaging (DPC), and STEM tomography, have demonstrated the high epitaxial quality and particle-in-matrix morphology of the BMO-Au nanocomposite film. DPC-STEM imaging clarifies the magnetic domain structures of BMO matrix. Three different BMO structures including layered supercell (LSC) and superlattices have been revealed which is attributed to the variable strain states throughout the BMO-Au film. Owing to the combination of plasmonic Au and layered structure of BMO, the nanocomposite film exhibits a typical LSPR in visible wavelength region and strong anisotropy in terms of its optical and ferromagnetic properties. This study opens a new avenue for developing novel 2D layered complex oxides incorporated with plasmonic metal or semiconductor phases showing great potential for applications in multifunctional nanoelectronics devices.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Logical design of anti-prion agents using NAGARA

To accelerate the logical drug design procedure, we created the program “NAGARA,” a plugin for PyMOL, and applied it to the discovery of small compounds called medical chaperones (MCs) that stabilize the cellular form of a prion protein (PrP{sup C}). In NAGARA, we constructed a single platform to unify the docking simulation (DS), free energy calculation by molecular dynamics (MD) simulation, and interfragment interaction energy (IFIE) calculation by quantum chemistry (QC) calculation. NAGARA also enables large-scale parallel computing via a convenient graphical user interface. Here, we demonstrated its performance and its broad applicability from drug discovery to lead optimization with full compatibility with various experimental methods including Western blotting (WB) analysis, surface plasmon resonance (SPR), and nuclear magnetic resonance (NMR) measurements. Combining DS and WB, we discovered anti-prion activities for two compounds and tegobuvir (TGV), a non-nucleoside non-structural protein NS5B polymerase inhibitor showing activity against hepatitis C virus genotype 1. Binding profiles predicted by MD and QC are consistent with those obtained by SPR and NMR. Free energy analyses showed that these compounds stabilize the PrP{sup C} conformation by decreasing the conformational fluctuation of the PrP{sup C}. Because TGV has been already approved as a medicine, its extension to prion diseases is straightforward. Finally, we evaluated the affinities of the fragmented regions of TGV using QC and found a clue for its further optimization. By repeating WB, MD, and QC recursively, we were able to obtain the optimum lead structure. - Highlights: • NAGARA integrates docking simulation, molecular dynamics, and quantum chemistry. • We found many compounds, e.g., tegobuvir (TGV), that exhibit anti-prion activities. • We obtained insights into the action mechanism of TGV as a medical chaperone. • Using QC, we obtained useful information for optimization of the lead compound, TGV. • NAGARA is a convenient platform for drug discovery and lead optimization.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

An extension to V ORO ++ for multithreaded computation of Voronoi cells

V ORO ++ is a software library written in C++ for computing the Voronoi tessellation, a technique in computational geometry that is widely used for analyzing systems of particles. V ORO ++ was released in 2009 and is based on computing the Voronoi cell for each particle individually. Here, we take advantage of modern computer hardware, and extend the original serial version to allow for multithreaded computation of Voronoi cells via the OpenMP application programming interface. We test the performance of the code, and demonstrate that it can achieve parallel efficiencies greater than 95% in many cases. Further, the multithreaded extension follows standard OpenMP programming paradigms, allowing it to be incorporated into other programs. We provide an example of this using the VoroTop software library, performing a multithreaded Voronoi cell topology analysis of up to 102.4 million particles.

97 MATHEMATICS AND COMPUTING↗