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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Active rejection of persistent disturbances in flexible space structures

A dynamic compensator for active rejection of persistent disturbances in flexible space structures is designed on the principle of the H(infinity)-optimization of the sensitivity transfer function matrix. A general state space solution is formulated to the multiinput multioutput H(infinity)-optimal control problem, allowing the use of the H(infinity)-optimal synthesis algorithm for the state-space models of space structures that result from model order reduction. Disturbances encountered in flexible space structures, such as shuttle docking, are investigated using the high-mode and the reduced-order models of a cantilevered two-bay truss, demonstrating the applicability of the H(infinity)-optimal approach.

Hwang, Cheng-Neng↗
DOE OSTI2026

Code for the manuscript "Lagrangian Attention Tensor Networks for Velocity Gradient Statistical Mode

We disclose a python/pytorch implementation of the physics-informed machine learning algorithm described in "Lagrangian Attention Tensor Networks for Velocity Gradient Statistical Modeling", LA-UR-24-30678. Direct numerical simulation (DNS) of ubiquitous turbulence phenomena is computationally infeasible for realistic flows. As a result, reduced modeling for turbulent flows aim to reduce the number of resolved scales while retaining accurate representations of the small-scale physics. The dynamics of the velocity gradient tensor (VGT) is a key ingredient in reduced or subgrid turbulence models. The evolution equation for the VGT involves nonlocal terms, requiring closure modeling. This implementation of the novel methodology of Lagrangian Attention Tensor Networks (LATN), utilizes a structured representation of the history of the VGT to inform a physics-informed machine learning algorithm. This addition of structured memory terms is shown to outperform previous models when trained and evaluated on DNS data.

Livescu, Daniel [LANL]↗
DOE OSTI2015

SU-E-T-456: Impact of Dose Calculation Algorithms On Biologically Optimized VMAT Plans for Esophageal Cancer

Purpose: To evaluate the impact of dose calculation algorithm on the dose distribution of biologically optimized Volumatric Modulated Arc Therapy (VMAT) plans for Esophgeal cancer. Methods: Eighteen retrospectively treated patients with carcinoma esophagus were studied. VMAT plans were optimized using biological objectives in Monaco (5.0) TPS for 6MV photon beam (Elekta Infinity). These plans were calculated for final dose using Monte Carlo (MC), Collapsed Cone Convolution (CCC) & Pencil Beam Convolution (PBC) algorithms from Monaco and Oncentra Masterplan TPS. A dose grid of 2mm was used for all algorithms and 1% per plan uncertainty maintained for MC calculation. MC based calculations were considered as the reference for CCC & PBC. Dose volume histogram (DVH) indices (D95, D98, D50 etc) of Target (PTV) and critical structures were compared to study the impact of all three algorithms. Results: Beam models were consistent with measured data. The mean difference observed in reference with MC calculation for D98, D95, D50 & D2 of PTV were 0.37%, −0.21%, 1.51% & 1.18% respectively for CCC and 3.28%, 2.75%, 3.61% & 3.08% for PBC. Heart D25 mean difference was 4.94% & 11.21% for CCC and PBC respectively. Lung Dmean mean difference was 1.5% (CCC) and 4.1% (PBC). Spinal cord D2 mean difference was 2.35% (CCC) and 3.98% (PBC). Similar differences were observed for liver and kidneys. The overall mean difference found for target and critical structures was 0.71±1.52%, 2.71±3.10% for CCC and 3.18±1.55%, 6.61±5.1% for PBC respectively. Conclusion: We observed a significant overestimate of dose distribution by CCC and PBC as compared to MC. The dose prediction of CCC is closer (<3%) to MC than that of PBC. This can be attributed to poor performance of CCC and PBC in inhomogeneous regions around esophagus. CCC can be considered as an alternate in the absence of MC algorithm.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1994

On-line, adaptive state estimator for active noise control

Dynamic characteristics of airframe structures are expected to vary as aircraft flight conditions change. Accurate knowledge of the changing dynamic characteristics is crucial to enhancing the performance of the active noise control system using feedback control. This research investigates the development of an adaptive, on-line state estimator using a neural network concept to conduct active noise control. In this research, an algorithm has been developed that can be used to estimate displacement and velocity responses at any locations on the structure from a limited number of acceleration measurements and input force information. The algorithm employs band-pass filters to extract from the measurement signal the frequency contents corresponding to a desired mode. The filtered signal is then used to train a neural network which consists of a linear neuron with three weights. The structure of the neural network is designed as simple as possible to increase the sampling frequency as much as possible. The weights obtained through neural network training are then used to construct the transfer function of a mode in z-domain and to identify modal properties of each mode. By using the identified transfer function and interpolating the mode shape obtained at sensor locations, the displacement and velocity responses are estimated with reasonable accuracy at any locations on the structure. The accuracy of the response estimates depends on the number of modes incorporated in the estimates and the number of sensors employed to conduct mode shape interpolation. Computer simulation demonstrates that the algorithm is capable of adapting to the varying dynamic characteristics of structural properties. Experimental implementation of the algorithm on a DSP (digital signal processing) board for a plate structure is underway. The algorithm is expected to reach the sampling frequency range of about 10 kHz to 20 kHz which needs to be maintained for a typical active noise control application.

Lim, Tae W.↗
DOE OSTI2026

Efficient derivative computation for unsteady fatigue-constrained nonlinear aero-structural wind turbine blade optimization

Gradient-based optimization offers significant efficiency advantages for wind turbine blade design, but its application has often been limited by the cost and accuracy of finite-difference derivative calculations, especially when fatigue constraints are considered. In this work, we systematically compare and evaluate four differentiation techniques, namely algorithmic differentiation, implicit differentiation, sparsity exploitation, and parallelization, to determine their effectiveness in computing accurate gradients through time-domain aero-structural simulations. By integrating these techniques with unsteady nonlinear aerodynamic and structural models, we develop software designed for accurate gradient computation. We show that combining these techniques addresses memory and runtime challenges associated with long simulations required by design load cases. Specifically, the most effective combination reduces derivative computation wall time by over an order of magnitude compared to finite differencing while maintaining superior accuracy. We demonstrate this approach in a proof-of-concept aero-structural optimization of a wind turbine blade that improves the cost of energy by 12.78 %. This comparative study establishes a viable approach for fatigue-aware blade design that balances computational efficiency with modeling accuracy.

17 WIND ENERGY↗
DOE OSTI2014

A coarse-grained model with implicit salt for RNAs: Predicting 3D structure, stability and salt effect

To bridge the gap between the sequences and 3-dimensional (3D) structures of RNAs, some computational models have been proposed for predicting RNA 3D structures. However, the existed models seldom consider the conditions departing from the room/body temperature and high salt (1M NaCl), and thus generally hardly predict the thermodynamics and salt effect. In this study, we propose a coarse-grained model with implicit salt for RNAs to predict 3D structures, stability, and salt effect. Combined with Monte Carlo simulated annealing algorithm and a coarse-grained force field, the model folds 46 tested RNAs (≤45 nt) including pseudoknots into their native-like structures from their sequences, with an overall mean RMSD of 3.5 Å and an overall minimum RMSD of 1.9 Å from the experimental structures. For 30 RNA hairpins, the present model also gives the reliable predictions for the stability and salt effect with the mean deviation ∼ 1.0 °C of melting temperatures, as compared with the extensive experimental data. In addition, the model could provide the ensemble of possible 3D structures for a short RNA at a given temperature/salt condition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Algorithms for computing the multivariable stability margin

Stability margin for multiloop flight control systems has become a critical issue, especially in highly maneuverable aircraft designs where there are inherent strong cross-couplings between the various feedback control loops. To cope with this issue, we have developed computer algorithms based on non-differentiable optimization theory. These algorithms have been developed for computing the Multivariable Stability Margin (MSM). The MSM of a dynamical system is the size of the smallest structured perturbation in component dynamics that will destabilize the system. These algorithms have been coded and appear to be reliable. As illustrated by examples, they provide the basis for evaluating the robustness and performance of flight control systems.

Tekawy, Jonathan A.↗
DOE OSTI2017

Tree tensor network approach to simulating Shor's algorithm

Constructively simulating quantum systems furthers our understanding of qualitative and quantitative features which may be analytically intractable. In this paper, we directly simulate and explore the entanglement structure present in the paradigmatic example for exponential quantum speedups: Shor's algorithm. To perform our simulation, we construct a dynamic tree tensor network which manifestly captures two salient circuit features for modular exponentiation. These are the natural two-register bipartition and the invariance of entanglement with respect to permutations of the top-register qubits. Our construction help identify the entanglement entropy properties, which we summarize by a scaling relation. Further, the tree network is efficiently projected onto a matrix product state from which we efficiently execute the quantum Fourier transform. In conclusion, future simulation of quantum information states with tensor networks exploiting circuit symmetries is discussed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

PySpawn: Software for Nonadiabatic Quantum Molecular Dynamics

The ab initio multiple spawning (AIMS) method enables nonadiabatic quantum molecular dynamics simulations in an arbitrary number of dimensions, with potential energy surfaces provided by electronic structure calculations performed on-the-fly. However, the intricacy of the AIMS algorithm complicates software development, deployment on modern shared computer resources, and post-simulation data analysis. PySpawn is a nonadiabatic molecular dynamics software package that addresses these issues. Here, the program is designed to be easily interfaced with electronic structure software, and an interface to the TeraChem software package is described here. PySpawn introduces a task-based reorganization of the AIMS algorithm, allowing fine-grained restart capability and setting the stage for efficient parallelization in a future release. PySpawn includes a user-friendly and interactive Python analysis module that will enable novice users to painlessly adopt AIMS. As a demonstration of PySpawn’s simulation capability and analysis module, we report complete active space self-consistent field–based AIMS simulations of the 1,2- dithienyl-1,2-dicyanoethene molecule, a promising molecular photoswitch.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

A generalized patched-grid algorithm with application to the F-18 forebody with actuated control strake

Analysis of complex configurations using structured grids virtually demands multiple blocks of grids. To facilitate calculations involving multiple blocks, a geneal grid-block patching algorithm based on generalized coordinate inerpolation has been developed. The computational grid may contain as many arbirarily shaped blocks as required to make the grid generation problem tractable and to accurately model the fow features. Results are presented for several test cases as well as for the F-18 forebody control strake. The methodology developed has application to overlapped or embedded grids.

Biedron, R. T.↗
DOE OSTI2024

Machine learning-accelerated discovery of iron cobalt phosphides as rare-earth-free magnets

Here, the discovery of rare-earth-free permanent magnets has been a goal of scientists for decades. The absence of rare-earth elements will alleviate a pressing concern about the availability of rare-earth elements used in permanent magnets. These magnets are crucial for applications such as wind turbines, electric cars, and memory devices. Rare-earth magnets are special owing to a large magnetic anisotropy energy (K 1 ). In contrast, iron cobalt phosphides hold promise since doping P into cubic FeCo can induce anisotropy, leading to a large coercivity, without introducing rare-earth elements. We present a comprehensive search over the Fe-Co-P ternary space for magnets, utilizing recently developed adaptive machine learning feedback to efficiently screen over 850 000 structures. We focus on machine learning acceleration as a paradigm for materials design. Further adaptive genetic algorithm searches and first-principles calculations aid in the identification of 16 new structures below the known convex hull. Five of them possess high magnetic polarization (J s > 1 T). The structures with desirable magnetic properties center on (Fe,Co) 2⁢ P. This supports conventional wisdom, which focuses on the mixture of the two known end compounds: Fe 2 ⁢P and Co 2 ⁢P. Our work provides guidance for synthesis. We find Fe 7 ⁢CoP 4 shows the most promise (J s = 1.03T and K 1 = 0.83MJ/m 3 ).

36 MATERIALS SCIENCE↗
NASA NTRS1983

A flexible grid embedding technique with application to the Euler equations

An automated grid embedding procedure for solution of flows about complex geometries is described. The physical domain is subdivided into regions that can accommodate easily generated grids. The grids are organized in a hierarchical structure, and communication among grids is accomplished by interpolation of the flow variables at mesh boundaries. Algorithms for locating embedded boundaries, special treatment of the embedded grids, and the data structures required for manipulating the solution data are described. The method is demonstrated by solution of the Euler equations for transonic flow about a supercritical airfoil and a flapped airfoil.

Benek, J. A.↗
NASA NTRS1993

Description and performance analysis of a generalized optimal algorithm for aerobraking guidance

A practical real-time guidance algorithm has been developed for aerobraking vehicles which nearly minimizes the maximum heating rate, the maximum structural loads, and the post-aeropass delta V requirement for orbit insertion. The algorithm is general and reusable in the sense that a minimum of assumptions are made, thus greatly reducing the number of parameters that must be determined prior to a given mission. A particularly interesting feature is that in-plane guidance performance is tuned by adjusting one mission-dependent, the bank margin; similarly, the out-of-plane guidance performance is tuned by adjusting a plane controller time constant. Other features of the algorithm are simplicity, efficiency and ease of use. The trimmed vehicle with bank angle modulation as the method of trajectory control. Performance of this guidance algorithm is examined by its use in an aerobraking testbed program. The performance inquiry extends to a wide range of entry speeds covering a number of potential mission applications. Favorable results have been obtained with a minimum of development effort, and directions for improvement of performance are indicated.

Evans, Steven W.↗
NASA NTRS1989

An experimental investigation of fault tolerant software structures in an avionics application

The objective of this experimental investigation is to compare the functional performance and software reliability of competing fault tolerant software structures utilizing software diversity. In this experiment, three versions of the redundancy management software for a skewed sensor array have been developed using three diverse failure detection and isolation algorithms and incorporated into various N-version, recovery block and hybrid software structures. The empirical results show that, for maximum functional performance improvement in the selected application domain, the results of diverse algorithms should be voted before being processed by multiple versions without enforced diversity. Results also suggest that when the reliability gain with an N-version structure is modest, recovery block structures are more feasible since higher reliability can be obtained using an acceptance check with a modest reliability.

Caglayan, Alper K.↗
DOE OSTI2021

Imaging Complex Subsurface Structures for Geothermal Exploration at Pirouette Mountain and Eleven-Mile Canyon in Nevada

Accurate imaging of subsurface complex structures with faults is crucial for geothermal exploration because faults are generally the primary conduit of hydrothermal flow. It is very challenging to image geothermal exploration areas because of complex geologic structures with various faults and noisy surface seismic data with strong and coherent ground-roll noise. In addition, fracture zones and most geologic formations behave as anisotropic media for seismic-wave propagation. Properly suppressing ground-roll noise and accounting for subsurface anisotropic properties are essential for high-resolution imaging of subsurface structures and faults for geothermal exploration. We develop a novel wavenumber-adaptive bandpass filter to suppress the ground-roll noise without affecting useful seismic signals. This filter adaptively exploits both characteristics of the lower frequency and the smaller velocity of the ground-roll noise than those of the signals. Consequently, this filter can effectively differentiate the ground-roll noise from the signal. We use our novel filter to attenuate the ground-roll noise in seismic data along five survey lines acquired by the U.S. Navy Geothermal Program Office at Pirouette Mountain and Eleven-Mile Canyon in Nevada, United States. We then apply our novel anisotropic least-squares reverse-time migration algorithm to the resulting data for imaging subsurface structures at the Pirouette Mountain and Eleven-Mile Canyon geothermal exploration areas. The migration method employs an efficient implicit wavefield-separation scheme to reduce image artifacts and improve the image quality. Our results demonstrate that our wavenumber-adaptive bandpass filtering method successfully suppresses the strong and coherent ground-roll noise in the land seismic data, and our anisotropic least-squares reverse-time migration produces high-resolution subsurface images of Pirouette Mountain and Eleven-Mile Canyon, facilitating accurate fault interpretation for geothermal exploration.

15 GEOTHERMAL ENERGY↗
NASA NTRS1981

Structural synthesis - Its genesis and development

An historical account is given of the development, from its conception in 1960, of the structural synthesis method. While synthesis techniques lag behind analytical ones in both sophistication and application, the structural design procedures created by combining finite element analysis and mathematical programming algorithms have progressed to the point of maturity. As in the case of finite element analysis, use and acceptance of structural synthesis methodology depends on the development and distribution of easily used and well-documented, production-quality computer programs. Attention is given such elementary applications of synthesis methods as the three-bar truss, an integrally stiffened waffle plate, a stiffened cylindrical shell, aircraft fuselage window panels, the structural efficiency of graphite-epoxy hat-stiffened panels, and an idealized delta wing.

Schmit, L. A.↗
NASA NTRS1990

A coordination theory for intelligent machines

A formal model for the coordination level of intelligent machines is established. The framework of the coordination level investigated consists of one dispatcher and a number of coordinators. The model called coordination structure has been used to describe analytically the information structure and information flow for the coordination activities in the coordination level. Specifically, the coordination structure offers a formalism to (1) describe the task translation of the dispatcher and coordinators; (2) represent the individual process within the dispatcher and coordinators; (3) specify the cooperation and connection among the dispatcher and coordinators; (4) perform the process analysis and evaluation; and (5) provide a control and communication mechanism for the real-time monitor or simulation of the coordination process. A simple procedure for the task scheduling in the coordination structure is presented. The task translation is achieved by a stochastic learning algorithm. The learning process is measured with entropy and its convergence is guaranteed. Finally, a case study of the coordination structure with three coordinators and one dispatcher for a simple intelligent manipulator system illustrates the proposed model and the simulation of the task processes performed on the model verifies the soundness of the theory.

Wang, Fei-Yue↗
DOE OSTI2024

Grain structure and texture selection regimes in metal powder bed fusion

Additive manufacturing (AM) offers opportunities to produce complex part geometries not possible with conventional processing and in some cases even improve part performance. However, adoption has been slowed by difficulties assessing microstructure variability and there is no straightforward approach to relate processing to grain structure characteristics. In this study, datasets from AdditiveFOAM heat transport simulations of laser powder bed fusion (LPBF) are used to drive ExaCA simulations of grain structure. The GPU utilization of ExaCA and an algorithmic update for modeling melt pool overlap region solidification enabled rapid and parallel simulation across a wider range of process conditions than previously explored with cellular automata-based solidification models. A texture selection angle $θ_s$ is defined based on melt pool overlap geometry, and the range of $θ_s$ over which a commonly observed texture transition occurs in characterized AM builds was well-reproduced by ExaCA simulations over a wide range of melt pool shape, hatch spacing, and layer height. ExaCA simulations with 90 degree rotation of the scan direction on every other layer reproduced a number of trends from the AM literature including grain refinement, the dominance of layers with larger melt pools on the final grain structure, and the weakening or strengthening of texture depending on odd and even layer melt pool overlap geometry. EBSD data from a benchmark AM part is used to validate the simulated mechanism of a layer rotation-induced texture strengthening effect. Importantly, these results expand the understanding of the mechanisms for texture selection in alloys with cubic crystal symmetry and offer an approach to easily evaluate processing conditions. With this new understanding, these modeling tools will enable anticipation of previously unexpected variations in grain structure and target specific microstructures and properties.

36 MATERIALS SCIENCE↗