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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 1,459 records · Page 81

Development of a detachable high speed miniature scanning probe microscope for large area substrates inspection

We have developed a high speed, miniature scanning probe microscope (MSPM) integrated with a Positioning Unit (PU) for accurately positioning the MSPM on a large substrate. This combination enables simultaneous, parallel operation of many units on a large sample for high throughput measurements. The size of the MSPM is 19 × 45 × 70 mm{sup 3}. It contains a one-dimensional flexure stage with counter-balanced actuation for vertical scanning with a bandwidth of 50 kHz and a z-travel range of more than 2 μm. This stage is mechanically decoupled from the rest of the MSPM by suspending it on specific dynamically determined points. The motion of the probe, which is mounted on top of the flexure stage is measured by a very compact optical beam deflection (OBD). Thermal noise spectrum measurements of short cantilevers show a bandwidth of 2 MHz and a noise of less than 15 fm/Hz{sup 1/2}. A fast approach and engagement of the probe to the substrate surface have been achieved by integrating a small stepper actuator and direct monitoring of the cantilever response to the approaching surface. The PU has the same width as the MSPM, 45 mm and can position the MSPM to a pre-chosen position within an area of 275×30 mm{sup 2} to within 100 nm accuracy within a few seconds. During scanning, the MSPM is detached from the PU which is essential to eliminate mechanical vibration and drift from the relatively low-resonance frequency and low-stiffness structure of the PU. Although the specific implementation of the MSPM we describe here has been developed as an atomic force microscope, the general architecture is applicable to any form of SPM. This high speed MSPM is now being used in a parallel SPM architecture for inspection and metrology of large samples such as semiconductor wafers and masks.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

High Performance Programming Using Explicit Shared Memory Model on Cray T3D1

The Cray T3D system is the first-phase system in Cray Research, Inc.'s (CRI) three-phase massively parallel processing (MPP) program. This system features a heterogeneous architecture that closely couples DEC's Alpha microprocessors and CRI's parallel-vector technology, i.e., the Cray Y-MP and Cray C90. An overview of the Cray T3D hardware and available programming models is presented. Under Cray Research adaptive Fortran (CRAFT) model four programming methods (data parallel, work sharing, message-passing using PVM, and explicit shared memory model) are available to the users. However, at this time data parallel and work sharing programming models are not available to the user community. The differences between standard PVM and CRI's PVM are highlighted with performance measurements such as latencies and communication bandwidths. We have found that the performance of neither standard PVM nor CRI s PVM exploits the hardware capabilities of the T3D. The reasons for the bad performance of PVM as a native message-passing library are presented. This is illustrated by the performance of NAS Parallel Benchmarks (NPB) programmed in explicit shared memory model on Cray T3D. In general, the performance of standard PVM is about 4 to 5 times less than obtained by using explicit shared memory model. This degradation in performance is also seen on CM-5 where the performance of applications using native message-passing library CMMD on CM-5 is also about 4 to 5 times less than using data parallel methods. The issues involved (such as barriers, synchronization, invalidating data cache, aligning data cache etc.) while programming in explicit shared memory model are discussed. Comparative performance of NPB using explicit shared memory programming model on the Cray T3D and other highly parallel systems such as the TMC CM-5, Intel Paragon, Cray C90, IBM-SP1, etc. is presented.

Simon, Horst D.↗

A Parallel Kinetic Model for Surface and Bulk Charge Storage in ε -MnO 2 Pseudocapacitors

Pseudocapacitive materials such as manganese dioxide (MnO 2 ) are attractive for energy storage applications due to their ability to combine the fast kinetics of capacitors with the higher energy density of battery-type systems. However, the electrochemical behavior of MnO 2 remains difficult to interpret mechanistically, in part because existing models often fail to distinguish between surface-based redox processes and bulk intercalation mechanisms. In this work, we develop a physics-based model that represents MnO 2 pseudocapacitance as a linear combination of two independent, parallel electrochemical processes: (i) the surface or near-surface redox storage and (ii) lithium ion intercalation into the bulk material. These two processes are treated with distinct kinetic and thermodynamic parameters and are assumed to proceed independently. The total measured current is assumed to be the sum of these two partial currents. We validate the model using rate-dependent cyclic voltammetry experiments, demonstrating that it captures key trends and provides physically interpretable parameters reflecting the relative contributions of surface and bulk processes. By enabling a clear separation between these mechanisms, the model offers a useful framework for analyzing pseudocapacitive materials and can guide the rational design of high-performance energy storage electrodes.

Energy - Storage↗

Scalable Multilevel Uncertainty Quantification Concepts for Extreme-Scale Multiscale Problems

Our work in this project is aimed at making fundamental advances in multilevel and multiscale methods for problems with uncertainties related to flows in porous media. The main thrust of this research is to develop a systematic multiscale, multilevel parallel approaches for problems with uncertainties and use them in the uncertainty quantification. A key emphasis is on problems without an apparent scale separation in space, time, and uncertainty spaces. Multiscale solution methods are currently under active investigation. However, the develop- ment of multiscale methods for problems with uncertainties where the scales and uncertainties are tightly coupled is a research area that is less explored. During this project, we have made some significant contributions to the developments of multiscale methods, the uncertainty quantification for multiscale methods, multiscale model learning, uncertainty quantification in inverse problems, and applications.

97 MATHEMATICS AND COMPUTING↗

Parallel Simulation of Quantum Networks with Distributed Quantum State Management

Quantum network simulators offer the opportunity to cost-efficiently investigate potential avenues for building networks that scale with the number of users, communication distance, and application demands by simulating alternative hardware designs and control protocols. Several quantum network simulators have been recently developed with these goals in mind. As the size of the simulated networks increases, however, sequential execution becomes time-consuming. Parallel execution presents a suitable method for scalable simulations of large-scale quantum networks, but the unique attributes of quantum information create unexpected challenges. In this work, we identify requirements for parallel simulation of quantum networks and develop the first parallel discrete-event quantum network simulator by modifying the existing serial simulator SeQUeNCe. Our contributions include the design and development of a quantum state manager (QSM) that maintains shared quantum information distributed across multiple processes. We also optimize our parallel code by minimizing the overhead of the QSM and decreasing the amount of synchronization needed among processes. Using these techniques, we observe a speedup of 2 to 25 times when simulating a 1,024-node linear network topology using 2 to 128 processes. We also observe an efficiency greater than 0.5 for up to 32 processes in a linear network topology of the same size and with the same workload. We repeat this evaluation with a randomized workload on a caveman network. We also introduce several methods for partitioning networks by mapping them to different parallel simulation processes. We have released the parallel SeQUeNCe simulator as an open source tool alongside the existing sequential version.

97 MATHEMATICS AND COMPUTING↗

Parallel hybrid quantum-classical machine learning for kernelized time-series classification

Supervised time-series classification garners widespread interest because of its applicability throughout a broad application domain including finance, astronomy, biosensors, and many others. Here, in this work, we tackle this problem with hybrid quantum-classical machine learning, deducing pairwise temporal relationships between time-series instances using a timeseries Hamiltonian kernel (TSHK). A TSHK is constructed with a sum of inner products generated by quantum states evolved using a parameterized time evolution operator. This sum is then optimally weighted using techniques derived from multiple kernel learning. Because we treat the kernel weighting step as a differentiable convex optimization problem, our method can be regarded as an end-to-end learnable hybrid quantum-classical-convex neural network, or QCC-net, whose output is a data set-generalized kernel function suitable for use in any kernelized machine learning technique such as the support vector machine (SVM). Using our TSHK as input to a SVM, we classify univariate and multivariate time-series using quantum circuit simulators and demonstrate the efficient parallel deployment of the algorithm to 127-qubit superconducting quantum processors using quantum multi-programming.

97 MATHEMATICS AND COMPUTING↗

Dynamic Load Balancing for Adaptive Meshes using Symmetric Broadcast Networks

Many scientific applications involve grids that lack a uniform underlying structure. These applications are often dynamic in the sense that the grid structure significantly changes between successive phases of execution. In parallel computing environments, mesh adaptation of grids through selective refinement/coarsening has proven to be an effective approach. However, achieving load balance while minimizing inter-processor communication and redistribution costs is a difficult problem. Traditional dynamic load balancers are mostly inadequate because they lack a global view across processors. In this paper, we compare a novel load balancer that utilizes symmetric broadcast networks (SBN) to a successful global load balancing environment (PLUM) created to handle adaptive unstructured applications. Our experimental results on the IBM SP2 demonstrate that performance of the proposed SBN load balancer is comparable to results achieved under PLUM.

Das, Sajal K.↗

Integrating Asynchronous Task Parallelism with OpenSHMEM, In: OpenSHMEM 2016: OpenSHMEM and Related Technologies. Enhancing OpenSHMEM for Hybrid Environments

Partitioned Global Address Space (PGAS) programming models combine shared and distributed memory features, and provide a foundation for high-productivity parallel programming using lightweight one-sided communications. The OpenSHMEM programming interface has recently begun gaining popularity as a lightweight library-based approach for developing PGAS applications, in part through its use of a symmetric heap to realize more efficient implementations of global pointers than in other PGAS systems. However, current approaches to hybrid inter-node and intra-node parallel programming in OpenSHMEM rely on the use of multithreaded programming models (e.g., pthreads, OpenMP) that harness intra-node parallelism but are opaque to the OpenSHMEM runtime. This OpenSHMEM+X approach can encounter performance challenges such as bottlenecks on shared resources, long pause times due to load imbalances, and poor data locality. Furthermore, OpenSHMEM+X requires the expertise of hero-level programmers, compared to the use of just OpenSHMEM. All of these are hard challenges to mitigate with incremental changes. This situation will worsen as computing nodes increase their use of accelerators and heterogeneous memories.

Computer Science↗

Stage-by-Stage and Parallel Flow Path Compressor Modeling for a Variable Cycle Engine

This paper covers the development of stage-by-stage and parallel flow path compressor modeling approaches for a Variable Cycle Engine. The stage-by-stage compressor modeling approach is an extension of a technique for lumped volume dynamics and performance characteristic modeling. It was developed to improve the accuracy of axial compressor dynamics over lumped volume dynamics modeling. The stage-by-stage compressor model presented here is formulated into a parallel flow path model that includes both axial and rotational dynamics. This is done to enable the study of compressor and propulsion system dynamic performance under flow distortion conditions. The approaches utilized here are generic and should be applicable for the modeling of any axial flow compressor design.

Parallel Flow Path modeling↗

Estimating Lossy Compressibility of Scientific Data Using Deep Neural Networks

Simulation based scientific applications generate increasingly large amounts of data on high-performance computing (HPC) systems. To allow data to be stored and analyzed efficiently, data compression is often utilized to reduce the volume and velocity of data. However, a question often raised by domain scientists is the level of compression that can be expected so that they can make more informed decisions, balancing between accuracy and performance. In this letter, we propose a deep neural network based approach for estimating the compressibility of scientific data. To train the neural network, we build both general features as well as compressor-specific features so that the characteristics of both data and lossy compressors are captured in training. Our approach is demonstrated to outperform a prior analytical model as well as a sampling based approach in the case of a biased estimation, i.e., for SZ. However, for the unbiased estimation (i.e., ZFP), the sampling based approach yields the best accuracy, despite the high overhead involved in sampling the target dataset.

97 MATHEMATICS AND COMPUTING↗

Parallel-in-Time Integration for Nonlinear Hyperbolic Problems (Final Report)

The work for the subcontract was situated in the area of parallel-in-time integration for hyperbolic partial differential equations (PDEs). Parallel-in-time integration is an active area of research due to its ability to enable faster numerical simulations for applications throughout many areas of science. Over the past two decades, much progress has been made in this area; however, this progress has largely been limited to diffusion-dominated PDEs, with some recent success in scalar linear hyperbolic PDEs. Given the ubiquity of numerical simulations of hyperbolic PDEs throughout the sciences, in particular, nonlinear hyperbolic systems, there is a strong need to develop efficient parallel-in-time techniques for hyperbolic problems beyond simple scalar and linear cases, which is the main topic of this subcontract. The main focus of the work was to further develop and perfect coarse-grid operators for the Multigrid Reduction-inTime (MGRIT) method applied to hyperbolic PDEs that were recently proposed in PhD thesis, based on a modified semi-Lagrangian approach.

97 MATHEMATICS AND COMPUTING↗

Evaluating Support for OpenMP Offload Features

The OpenMP language features have been evolving to meet the rapid development in hardware platforms. DOE applications tend to push the bleeding edge of features ratified in the OpenMP specification and tend to expose the rough edges of the features' implementations. The software harness on DOE supercomputers such as Titan and (upcoming) Summit include Cray, Clang, Flang, XL and GCC compilers. It is critical, especially for Summit, that the compilers support OpenMP offloading features. This paper focuses on evaluating support for OpenMP 4.5 target offload directives across compiler implementations on Titan and Summitdev, an early access system, which is one generation removed from Summit's architecture enabling application teams to test the systems' architecture. Our tests not only evaluate the OpenMP implementations but also expose ambiguities in the OpenMP 4.5 specification. We also evaluate compiler implementations using kernels extracted from production DOE applications. This helps in assessing the interaction of different OpenMP directives independent of other application artifacts. We are aware that the implementations are constantly evolving and are advertised as having only partial OpenMP 4.x support. We see this as a synergistic effort to help identify and correct features that are required by DOE applications and prevent deployment delays later on. Going forward, we also plan to interact with standard benchmarking bodies like SPEC/HPG to donate our tests and mini-apps/kernels for potential inclusion in the next release versions of SPEC OMP and SPEC ACCEL benchmark suites.

Monsalve Diaz, Jose↗

Design study of wind turbines 50 kW to 3000 kW for electric utility applications. Volume 3: Supplementary design and analysis tasks

Additional design and analysis data are provided to supplement the results of the two parallel design study efforts. The key results of the three supplemental tasks investigated are: (1) The velocity duration profile has a significant effect in determining the optimum wind turbine design parameters and the energy generation cost. (2) Modest increases in capacity factor can be achieved with small increases in energy generation costs and capital costs. (3) Reinforced concrete towers that are esthetically attractive can be designed and built at a cost comparable to those for steel truss towers. The approach used, method of analysis, assumptions made, design requirements, and the results for each task are discussed in detail.

Source record↗

Serial and Hybrid Concatenated Codes with Applications

Analytical bounds on the performance of concatenated codes on a tree structure are obtained. Analytical results are applied to examples of parallel concatenation of two codes (turbo codes), serial concatenation of two codes, hybrid concatenation of three codes, and self concatenated codes, over AWGN and fading channels.

AWGN MPSK modulations Rayleigh fading channels↗

Definition of International GPM GV Research Program

The Global Precipitation Measurement (GPM) Mission will consist of a constellation of rain-measuring satellites, the main member of which (the core satellite) will serve as the measurement reference to the other members of the constellation. The core satellite is being developed jointly by the National Aeronautics and Space Administration (NASA) and the newly-named Japan Aerospace Exploration Agency (JAXA -- previously NASDA) along with its government partner, the Communications Research Laboratory (CRL). The GPM mission was proposed as a follow-up mission to the Tropical Rainfall Measuring Mission (TRMM) by both NASA and NASDA based on the unparalleled scientific success of TRMM, and has recently been joined by the European Space Agency (ESA) via its formulation of the European GPM mission (i.e., EGPM). GPM is an ambitious mission designed to produce accurate and frequent global observations of precipitation (both rain and snow) made possible by replacing the TRMM satellite with the new core satellite carrying an advanced radar-radiometer system, and serving as the centerpiece for the constellation of some eight (8) additional satellites being provided through international cooperation. The core satellite is to be flown up to high latitudes (inclined some 65-70 degrees), and will carry a Ku/Ka-band, nadir-scanning, dual-frequency precipitation radar (DPR) that is being developed by JAXA and CRL, along with a large aperture, extended frequency-range, conically-scanning passive microwave radiometer being developed by NASA and its industrial partners. Each constellation satellite will also carry some type of multi-channel passive microwave radiometer (as well as a multi-beam Ka-band radar in the case of EGPM) whose rain estimates will be calibrated and referenced to those made by the core satellite, producing for the first time fully-global, continuous, and bias-free precipitation datasets. GPM data will be delivered in near-realtime, taking a major step toward the operational use of precipitation information for model initialization and data assimilation in a number of application areas such as hazardous weather forecasting, flood warning, fresh water resource assessment, and crop growth prediction. In addition, GPM data will complement the now-existing global temperature record, allowing for improved assessments of climate change, particularly those processes in which the global water cycle both forces and responds to climatic drifts in global temperature conditions. A foremost element of this international constellation mission is a parallel international ground validation (GV) network. This GV network is needed to determine uncertainties in the rain retrievals, critical for application of the retrieval information in weather and hydrometeorological modeling and climate diagnostics, as well as assurances that the satellite retrievals of surface rainfall are consistent with those actually measured at the surface. The key aspects of this network is that it must be worldwide and created through the GPM partnership process. Therefore the network will consist of a confederation of government agencies, academic organizations, private institutions, and individual scientists from a collection of nations who have initiated the process by gathering in Abingdon to develop the fundamentals of the international GPM GV research programme. Therefore in keeping with our responsibilities as the front-runners of the programme, the main objectives of this workshop are: (1) to present and share opinions on interests, perspectives, and concerns about GPM GV research; (2) to examine the conceptual and/or planned GPM GV site templates from NASA, NASDA, ESA, and other partners; (3) to define the main scientific objectives of the international GPM GV research programme; (4) to formulate a preliminary set of international GPM GV science and measurement requirements; and (5) to convene a Steering Committee to aid the organization of the GPM GV program, to document its science implementation plans, and to aid planning for follow-up GPM GV meetings.

Smith, Eric A.↗

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.↗

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↗