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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Understanding Interactive and Reproducible Computing With Jupyter Tools at Facilities

Increasingly Jupyter tools are being adopted and incorporated into High Performance Computing (HPC) and scientific user facilities. Adopting Jupyter tools enables more interactive and reproducible computational work at facilities across data life cycles. As the volume, variety, and scope of data grow, scientists need to be able to analyze and share results in user friendly ways. Human-centered research highlights design challenges around computational notebooks, and our qualitative user study shifts focus to better characterize how Jupyter tools are being used in HPC and science user facilities today. We conducted twenty-nine interviews, and obtained 103 survey responses from NERSC Jupyter users, to better understand the increasing role of interactive computing tools in DOE sponsored scientific work. We examine a range of issues that emerge using and supporting Jupyter in HPC ecosystems, including: how Jupyter is being used by scientists in HPC and user facility ecosystems; how facilities are purposefully supporting Jupyter in their ecosystems; feedback NERSC users have about the facility’s deployment, and, discuss features NERSC indicated would be helpful. We offer a variety of takeaways for staff supporting Jupyter at facilities, Project Jupyter and related open source communities, and funding agencies supporting interactive computing work.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Efficient Application of the Factorized form of the Unitary Coupled-Cluster Ansatz for the Variational Quantum Eigensolver Algorithm by Using Linear Combination of Unitaries

The variational quantum eigensolver is one of the most promising algorithms for near-term quantum computers. It has the potential to solve quantum chemistry problems involving strongly correlated electrons with relatively low-depth circuits, which are otherwise difficult to solve on classical computers. The variational eigenstate is constructed from a number of factorized unitary coupled-cluster terms applied onto an initial (single-reference) state. Current algorithms for applying one of these operators to a quantum state require a number of operations that scale exponentially with the rank of the operator. We exploit a hidden SU(2) symmetry to allow us to employ the linear combination of unitaries approach, Our Prepare subroutine uses n+2 ancilla qubits for a rank-n operator. Our Select (U) scheme uses O(n) Cnot gates. This results in a full algorithm that scales like the cube of the rank of the operator n 3 , a significant reduction in complexity for rank five or higher operators. This approach, when combined with other algorithms for lower-rank operators (when compared to the standard implementation), will make the factorized form of the unitary coupled-cluster approach much more efficient to implement on all types of quantum computers.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2005

Mission leverage education: NSU/NASA innovative undergraduate model

The BEST Lab (Center for Excellence in Science Education), the Center for Materials Research (CMR), and the Chemistry, Mathematics, Physics, and Computer Science (CS) Departments at Norfolk State University (NSU) joined forces to implement MiLEN(2) IUM - an innovative approach tu integrate current and emerging research into the undergraduate curricula and train students on NASA-related fields. An Earth Observing System (EOS) mission was simulated where students are educated and trained in many aspects of Remote Sensing: detector physics and spectroscopy; signal processing; data conditioning, analysis, visualization; and atmospheric science. This model and its continued impact is expected to significantly enhance the quality of the Mathematics, Science, Engineering and Technology (MSET or SMET) educational experience and to inspire students from historically underrepresented groups to pursue careers in NASA-related fields. MiLEN(2) IUM will be applicable to other higher education institutions that are willing to make the commitment to this endeavor in terms of faculty interest and space.

Chaudhury, S. Raj↗
DOE OSTI2024

Riemannian Optimization Applied to AC Optimal Power Flow: Preprint

The nonlinear, nonconvex AC optimal power flow problem is of growing importance as the nature of the power grid evolves. This problem can be difficult to solve for interior point methods. However, the advent of optimization algorithms over smooth Riemannian manifolds presents an alternative approach. The nonlinear, nonconvex constraints in the AC power flow problem form an embedded submanifold of Euclidean space. In this paper, the authors explore the performance of Riemannian optimization algorithms for the ACOPF problem where the optimization is performed directly on the AC power flow manifold. They demonstrate that these are viable computational alternatives to interior point methods. This is done by using Julia and the packages PowerModels.jl and Manopt.jl.

manifold optimization↗
NASA NTRS1995

Research project for increasing pool of minority engineers

The Tennessee State University (TSU) Research Project for Increasing the Pool of Minority Engineers is designed to develop engineers who have academic and research experiences in technical areas of interest to NASA. These engineers will also have some degree of familiarity with NASA Lewis Research Center as a result of interaction with Lewis engineers, field trips and internships at Lewis. The Research Project has four components, which are: (1) Minority Introduction to Engineering (MITE), a high school precollege program, (2) engineering and technology previews, (3) the NASA LeRC Scholars program which includes scholarships and summer internships, and (4) undergraduate research experiences on NASA sponsored research. MITE is a two-week summer engineering camp designed to introduce minority high school students to engineering by exposing them to: (1) engineering role models (engineering students and NASA engineer), (2) field trips to engineering firms, (3) in addition to introducing youth to the language of the engineer (i.e., science, mathematics, technical writing, computers, and the engineering laboratory). Three MITE camps are held on the campus of TSU with an average of 40 participants. MITE has grown from 25 participants at its inception in 1990 to 118 participants in 1994 with participants from 17 states, including the District of Columbia, and 51 percent of the participants were female. Over the four-year period, 77 percent of the seniors who participated in MITE have gone to college, while 53 percent of those seniors in college are majoring in science, engineering or mathematics (SEM). This first Engineering and Technology Previews held in 1993 brought 23 youths from Cleveland, Ohio to TSU for a two-day preview of engineering and college life. Two previews are scheduled for 1994-1995. The NASA LeRC Scholars program provides scholarships and summer internships for minority engineering students majoring in electrical or mechanical engineering. Presently six (6) engineering students are in the Scholars program. The average GPA for the scholars is 3.239. Each scholar must maintain a minimum GPA of 3.000/4.000. NASA LeRC Fred Higgs has been awarded a GEM Fellowship. In addition, he will be presenting a paper entitled 'Design of Helical Spring Using Probabilistic Design Methodology' at the Middle Tennessee Section ASME Student Design Presentations in Nashville on March 23rd and at the National Conference on Undergraduate Research to be held at Union College, Schenectady, New York on April 20-22, 1995. Each of the scholars is working on one of the three NASA sponsored research projects in the college.

Rogers, Decatur B.↗
DOE OSTI2023

Machine learning unifies flexibility and efficiency of spinodal structure generation for stochastic biomaterial design

Abstract Porous biomaterials design for bone repair is still largely limited to regular structures (e.g. rod-based lattices), due to their easy parameterization and high controllability. The capability of designing stochastic structure can redefine the boundary of our explorable structure–property space for synthesizing next-generation biomaterials. We hereby propose a convolutional neural network (CNN) approach for efficient generation and design of spinodal structure—an intriguing structure with stochastic yet interconnected, smooth, and constant pore channel conducive to bio-transport. Our CNN-based approach simultaneously possesses the tremendous flexibility of physics-based model in generating various spinodal structures (e.g. periodic, anisotropic, gradient, and arbitrarily large ones) and comparable computational efficiency to mathematical approximation model. We thus successfully design spinodal bone structures with target anisotropic elasticity via high-throughput screening, and directly generate large spinodal orthopedic implants with desired gradient porosity. This work significantly advances stochastic biomaterials development by offering an optimal solution to spinodal structure generation and design.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Spherical Parameter Estimation and MPDV Applications

A new algebraic least square approach is presented for estimating effective zero center for verification of MPDV(Multichannel Photon Doppler Velocimetry) probe designs. Unlike previous algebraic least square methods for spherical parameter estimation, the new method can be shown to be concise in mathematic formulations, easy of computations, invariant under rigid -body transformations, no need for numerical approximations, and precise in dealing with precise data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Effect of Surface Roughness on Dynamic Stall in Pitching Motion

Dynamic stall plays a critical role in determining the performance and stability of a wide range of fluid-dynamics systems in various engineering applications. This unsteady aerodynamic phenomenon is particularly significant for maneuvering aircraft wings, jet aircraft subjected to gust encounters, helicopter rotor blades, and wind turbine blades [1–3]. The prediction of the dynamic stall vortex (DSV) is challenging due to factors such as unsteady aerodynamics, three-dimensional (3-D) effects, turbulence and flow separation, incoming gust, and surface impact effects [4–6]. Hence, advanced computational techniques and modeling approaches in computational fluid dynamics (CFD) would be required to enhance the accuracy and reliability of DSV predictions in dynamic stall scenarios. In the past, Batther and Lee [7] employed delayed detached eddy simulations (DDES) to understand the flow physics associated with the onset of dynamic stall. Their approach demonstrated that DDES achieves results comparable to those obtained from large-eddy simulations at a reduced computational cost. In another study, Khalifa et al. [8] examined the 3-D aspects of dynamic stall on a NACA 0012 airfoil using DES solvers. In conclusion, the findings underlined the superiority of 3-D simulations over two-dimensional approaches, particularly in predicting the lift coefficient values and capturing dynamic stall stages more precisely.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1980

Handling qualities of large flexible control-configured aircraft

The effects on handling qualities of low frequency symmetric elastic mode interaction with the rigid body dynamics of a large flexible aircraft was analyzed by use of a mathematical pilot modeling computer simulation. An extension of the optimal control model for a human pilot was made so that the mode interaction effects on the pilot's control task could be assessed. Pilot ratings were determined for a longitudinal tracking task with parametric variations in the undamped natural frequencies of the two lowest frequency symmetric elastic modes made to induce varying amounts of mode interaction. Relating numerical performance index values associated with the frequency variations used in several dynamic cases, to a numerical Cooper-Harper pilot rating has proved successful in discriminating when the mathematical pilot can or cannot separate rigid from elastic response in the tracking task.

Swaim, R. L.↗
DOE OSTI2024

Provable Repair of Vision Transformers

Vision Transformers have emerged as state-of-the-art image recognition tools, but may still exhibit incorrect behavior. Incorrect image recognition can have disastrous consequences in safety-critical real-world applications such as self-driving automobiles. In this paper, we present Provable Repair of Vision Transformers (PRoViT), a provable repair approach that guarantees the correct classification of images in a repair set for a given Vision Transformer without modifying its architecture. PRoViT avoids negatively affecting correctly classified images (drawdown) by minimizing the changes made to the Vision Transformer’s parameters and original output. Here, we observe that for Vision Transformers, unlike for other architectures such as ResNet or VGG, editing just the parameters in the last layer achieves correctness guarantees and very low drawdown. We introduce a novel method for editing these last-layer parameters that enables PRoViT to efficiently repair state-of-the-art Vision Transformers for thousands of images, far exceeding the capabilities of prior provable repair approaches.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1980

Spherical roller bearing analysis. SKF computer program SPHERBEAN. Volume 1: Analysis

The models and associated mathematics used within the SPHERBEAN computer program for prediction of the thermomechanical performance characteristics of high speed lubricated double row spherical roller bearings are presented. The analysis allows six degrees of freedom for each roller and three for each half of an optionally split cage. Roller skew, free lubricant, inertial loads, appropriate elastic and friction forces, and flexible outer ring are considered. Roller quasidynamic equilibrium is calculated for a bearing with up to 30 rollers per row, and distinct roller and flange geometries are specifiable. The user is referred to the material contained here for formulation assumptions and algorithm detail.

Kleckner, R. J.↗
DOE OSTI2025

Increasing the hardness of posiform planting using random QUBOs for programmable quantum annealer benchmarking

Posiform planting is a method for constructing QUBO instances with a unique planted solution that can be tailored to arbitrary connectivity graphs. In this study we investigate making posiform planted QUBOs computationally harder by fusing many smaller random Ising models, whose global minimum is computed classically, with posiform planted QUBOs. The unique ground state of the resulting QUBO is the concatenation of (exactly one of) the ground states of each smaller problem. Our method generates QUBO instances that have a unique solution, are native to the hardware graph, and have tunable computational hardness. We use our QUBOs to benchmark three D-Wave quantum annealing processors (with 563–5627 qubits), and compare them against simulated annealing and Gurobi. Surprisingly, we find that the D-Wave ground state sampling success rate is not dependent on the glued random QUBO size, and that some QUBO classes are solved at high success rates at short annealing times on the Zephyr processors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

ENDFtk: A robust tool for reading and writing ENDF-formatted nuclear data

ENDFtk is a recently developed C++ and Python interface to interact with ENDF-6 formatted nuclear data files. It provides a robust and complete interface, allowing the reading and writing of all formats currently part of the ENDF-6 formats manual, as well as some non-ENDF formats used by the NJOY processing code. It provides an interface that mimics the names in the ENDF-6 formats manual as well as an equivalent interface using human-readable attribute names. It is robust and powerful enogh for nuclear data experts to develop complex applications, while also simple enough to be used non-experts to retrieve and manipulate evaluated nuclear data. ENDFtk offers the ability to easily interrogate and manipulate data either in large-scale code projects or in simple Python scripts. Here, in this paper, a brief overview of the interface is given, as well as more substantial examples demonstrating plotting simple data, interacting with more complex data, and writing new data to files. ENDFtk is open source and available for download via GitHub (https://github.com/njoy/ENDFtk).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Fluidization of Group A Glass Particles: Experiments and Preliminary Validation

This work is aimed at providing reliable high-quality data from fluidization experiments. Geldart Group A glass beads are used as bed material. The fluidizing medium is air at atmospheric pressure which enters the system at 40% relative humidity. The air inlet velocity is varied over a broad range from 2 U mf to 26 U mf , where the minimum fluidization velocity, U mf , is 0.608 cm/s. There is not a significant change in the mean values of differential pressure; however, there are noticeable trends in their standard deviation values. Preliminary validation studies are performed using the open-source software Multiphase Flow with Interphase eXchanges (MFiX) developed by the National Energy Technology Laboratory (NETL). The results from Eulerian-Eulerian (MFiX-TFM, two-fluid model) and Eulerian-Lagrangian (MFiX-PIC, particle-in-cell) formulations are compared. The work presented in this report highlights the applicability of MFiX-PIC for large-scale applications, and reveals that PIC simulation offers a suitable alternative to TFM simulation when effects due to multiple components or polydispersity are significant. PIC modeling provides a readily extendible framework for such systems. However, PIC models do rely on an empirical closure for inter-particle stress. Some solution discrepancies were evident in MFiX-PIC predictions which require further analysis. As such, the study underlines the need for a systematic approach to quantify the sources of numerical uncertainty within the PIC model. However, even with known empiricism, MFiX-PIC has demonstrated considerable potential in analyzing gas-solid systems. The results obtained are encouraging and warrant further investigation to improve the predictive capability of MFiX-PIC.

36 MATERIALS SCIENCE↗
NASA NTRS1994

DET/MPS - The GSFC Energy Balance Programs

Direct Energy Transfer (DET) and MultiMission Spacecraft Modular Power System (MPS) computer programs perform mathematical modeling and simulation to aid in design and analysis of DET and MPS spacecraft power system performance in order to determine energy balance of subsystem. DET spacecraft power system feeds output of solar photovoltaic array and nickel cadmium batteries directly to spacecraft bus. MPS system, Standard Power Regulator Unit (SPRU) utilized to operate array at array's peak power point. DET and MPS perform minute-by-minute simulation of performance of power system. Results of simulation focus mainly on output of solar array and characteristics of batteries. Both packages limited in terms of orbital mechanics, they have sufficient capability to calculate data on eclipses and performance of arrays for circular or near-circular orbits. DET and MPS written in FORTRAN-77 with some VAX FORTRAN-type extensions. Both available in three versions: GSC-13374, for DEC VAX-series computers running VMS. GSC-13443, for UNIX-based computers. GSC-13444, for Apple Macintosh computers.

Jagielski, J. M.↗