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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Multistage Stabilized Continuation for Indirect Optimal Control of Three-Dimensional Hypersonic Trajectories

This work presents the development of a multistaged stabilized continuation for the three-dimensional unpowered hypersonic trajectory planning problem using indirect optimal control methods. The stabilized continuation method is noniterative and guaranteed to terminate within a finite number of floating point operations, thereby making it well suited for onboard autonomous implementations. Here, we present a multistage formulation of the stabilized continuation scheme that involves starting with a “loose” integration tolerance during the first stage and ramping up toward a “strict” integration tolerance through subsequent stages. An important benefit of this approach is that even when the solution to the underlying optimal control problem is numerically unstable, such as with the hypersonic vehicle footprint generation problem, the stabilized continuation algorithm is shown to be successful in finding a solution while providing some additional insights into the underlying cause of the numerical instability.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

A phase-field model for quasi-dynamic nucleation, growth, and propagation of rate-and-state faults

Despite its critical role in the study of earthquake processes, numerical simulation of the entire stages of fault rupture remains a formidable task. The main challenges in simulating a fault rupture process include the complex evolution of fault geometry, frictional contact, and off-fault damage over a wide range of spatial and temporal scales. Here, in this paper, we develop a phase-field model for quasi-dynamic fault nucleation, growth, and propagation, which features two standout advantages: (i) it does not require any sophisticated algorithms to represent fault geometry and its evolution; and (ii) it allows for modeling fault nucleation, propagation, and off-fault damage processes with a single formulation. Built on a recently developed phase-field framework for shear fractures with frictional contact, the proposed formulation incorporates rate- and state-dependent friction, radiation damping, and their impacts on fault mechanics and off-fault damage. We show that the numerical results of the phase-field model are consistent with those obtained from well-verified approaches that model the fault as a surface of discontinuity, without suffering from the mesh convergence issue in the existing continuous approaches to fault rupture (e.g., the stress glut method). Further, through numerical examples of fault propagation in various settings, we demonstrate that the phase-field approach may open new opportunities for investigating complex earthquake processes that have remained overly challenging for the existing numerical methods.

58 GEOSCIENCES↗
NASA NTRS1995

Full-Scale Direct Numerical Simulation of Two- and Three-Dimensional Instabilities and Rivulet Formulation in Heated Falling Films

A thin film draining on an inclined plate has been studied numerically using finite element method. Three-dimensional governing equations of continuity, momentum and energy with a moving boundary are integrated in an arbitrary Lagrangian Eulerian frame of reference. Kinematic equation is solved to precisely update interface location. Rivulet formation based on instability mechanism has been simulated using full-scale computation. Comparisons with long-wave theory are made to validate the numerical scheme. Detailed analysis of two- and three-dimensional nonlinear wave formation and spontaneous rupture forming rivulets under the influence of combined thermocapillary and surface-wave instabilities is performed.

Krishnamoorthy, S.↗
NASA NTRS1989

Time-dependent viscous incompressible Navier-Stokes equations - The finite difference Galerkin formulation and streamfunction algorithms

Numerical techniques are developed to solve the Navier-Stokes equations for unsteady incompressible flow. The extension of the finite-difference Galerkin (FDG) method of Stephens et al. (1984) to the continuous-time case in two or three space dimensions is explained, and the numerical implementation of the method is discussed with particular attention to the staggered-MAC-grid primitive-variable discretization, the application of discrete mass balance to avoid problems inherent in FDG schemes, the direct interpretation of the FDG expansion variables as a discrete streamfunction, and a mass-balance approach to two-dimensional problems with throughflow or obstacles. Numerical results are presented graphically for the evolution of asymptotic steady flow in a driven cavity at Reynolds number 400, 1000, or 3200; good agreement with published experimental data is demonstrated, with accurate predictions of secondary-vortex formation from wall bubble recirculations at Reynolds number 1000.

Goodrich, John W.↗
NASA NTRS1983

Numerical investigation of unsteady flow development in a nozzle-duct configuration

A computational approach has been used to resolve the transient phenomena caused by a rocket engine starting up and exhausting into a short duct. The results are obtained from the finite-difference Navier-Stokes, continuity, and energy equations for a single component gas. Using a recently developed numerical technique to account for the time-varying boundary conditions at the nozzle throat and the duct openings, the numerical simulation of the idealized ignition flow model has yielded some insight into the complex interactions between the wave patterns and the vortical flow. The present findings verify the hypothesis that a lateral expansion of the jetstream outside the nozzle will generate an over-pressure pulse on the duct wall if the jetstream is restricted within the nozzle by flow separation. The numerical simulations of this complex flow problem should be useful for improving simple correlation techniques used for engineering purposes.

Li, C. P.↗
DOE OSTI2024

R-Adaptivity to Enable Compression of Elementary Computations in Extreme-Scale Finite Element Simulators

Modern computing systems are capable of exascale calculations, which are revolutionizing the development and application of high-fidelity numerical models in computational science and engineering. While these systems continue to grow in processing power, the available system memory has not increased commensurately, and electrical power consumption continues to grow. A predominant approach to limit the memory usage in large-scale applications is to exploit the abundant processing power and continually recompute many low-level simulation quantities, rather than storing them. However, this approach can adversely impact the throughput of the simulation and diminish the benefits of modern computing architectures. We present three novel contributions to reduce the memory burden while maintaining, and sometimes improving, performance in simulations based on finite element discretizations. The first contribution develops dictionary-based data compression schemes that detect and exploit the structure of the discretization, due to redundancies across the finite element mesh. While these schemes are shown to reduce memory requirements by more than 99% on meshes with large numbers of identical mesh cells, there are applications where this structure does not exist. The second contribution leverages a recently developed augmented Lagrangian optimization algorithm to enable r-adaptivity for meshes with the goal of enhancing the redundancies in the mesh. The third contribution extends these methods to patch-based linear solvers and preconditioners by compressing local matrices. Numerical results demonstrate the effectiveness of the proposed methods to detect, enhance and exploit mesh structure on a suite of examples inspired by large-scale applications.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

Structure of confined laminar spray diffusion flames: Numerical investigation

The structure of confined laminar spray diffusion flames is investigated numerically by solving the gas-phase conservation equations for mass species, continuity, momentum, and energy and the liquid-phase equations for droplet position, velocity, size, and temperature. A one-step global reaction scheme along with six equilibrium reactions are employed to model the flame chemistry. Monodisperse as well as polydisperse sprays are considered. The numerical results demonstrate that liquid spray flames substantially differ from gaseous flames in their structure, i.e., temperature, concentration, and velocity fields, shape, and dimensions under the same conditions. Spray flames are predicted to be taller and narrower than their counterpart gaseous ones and their shapes are almost cylindrical. This is in agreement with experimental observations. The numerical computations also show that the use of the equilibrium reactions with the one-step reaction scheme decreases the flame temperature compared to the one-step reaction scheme without the equilibrium reactions and more importantly increases the surface area of the flame zone due to a phenomenon termed 'equilibrium broadening.' The spray flames also possess a finite thickness with minimal overlap of the fuel and oxygen species. A case for which a fuel-mixture consisting of 20 to 80 percent gas-liquid by mass is introduced into the combustor is also investigated and compared with predictions using only gaseous or liquid fuel.

Mawid, M. A.↗
NASA NTRS2016

Voyager Interstellar Mission: Challenges of Flying a Very Old Spacecraft on a Very Long Mission

Two Voyager spacecraft were launched in 1977. After the successful flybys of Jupiter and Saturn by both Voyagers and Uranus and Neptune by Voyager 2, the mission has been extended for another 30 years in search of the transition region between the dominance of the solar energy and interstellar energy. The Voyager Interstellar Mission (VIM) started on January 1, 1990. It can be characterized by several factors including extremely long communication distances, aging hardware, reduced staffing levels and difficulty in obtaining Deep Space Network (DSN) resources necessitated by the increasing distance between the spacecraft and Earth. The mission was redesigned to compensate for such factors while maximizing the science return. After 25 years of VIM and several significant science discoveries, both Voyager spacecraft are still functioning well and the Voyager flight team is preparing for an even longer mission - until the year 2025 and beyond. In order to work around the challenges and to continue the mission even further, the team has been implementing numerous changes, mainly through flight software modifications and hardware reconfiguration. The major drivers for the changes are two-fold: resource constraints (such as decreasing power output and difficulty in obtaining the necessary DSN coverage) and anomalies due to the aging hardware. The majority of changes occur through flight software modifications so the state of the on-board responses is appropriate for the changing space environment and mission phase, and the flight software is compatible in allowing the maximum data gathering. The on-board flight software routines such as baseline sequence, fault protection routines, the High Gain Antenna POINTing to Earth (HPOINT) table, and long-term events table need to be maintained through flight software updates. The changes also occur through hardware reconfiguration such as selecting the backup Hybrid Buffer Interface Circuits (HYBIC) or attitude propulsion thrusters. This paper will describe the challenges of VIM and what has been done to overcome or mitigate those challenges. The primary focus will be the major flight software changes made during VIM and the changes that are in store for the near future in preparation for continuing the extended mission, from the originally projected year of 2020 out to the year 2025 and possibly beyond.

Matsumoto, Sun Kang↗
NASA NTRS1994

A Numerical Investigation of Turbulent Flow in Noncircular Ducts

Since turbulent duct flows play an important role in engineering, continuous efforts to investigate this problem have been made. Until recently, these investigations were limited mostly to experiments and various semi-analytic methods. Owing to the improvement of turbulence modeling, the prevailing method of prediction is now mainly numerical. The majority of these studies deals, however, with turbulent flows in circular or square ducts and only limited information is available for straight noncircular ducts. In view of this situation, we propose to conduct a numerical investigation of turbulent flow in a class of ducts, whose cross sections vary from a circle to a near square. Turbulent flow in a noncircular duct is characterized by the presence of secondary flow for which a more refined turbulence model than the k-epsilon equations is required. In order to show that the calculated results are credible, various modes of verification were used to examine the results for a selected configuration, including an accuracy check by a scaling law and observing the decay of secondary flow as the cross section changes from a noncircular shape to a circle. After this was done, computations were performed for other configurations and with different Reynolds numbers from which wall shear stresses and friction factors are plotted.

Kao, Hsiao C.↗
NASA NTRS1995

On the application of Chimera/unstructured hybrid grids for conjugate heat transfer

A hybrid grid system that combines the Chimera overset grid scheme and an unstructured grid method is developed to study fluid flow and heat transfer problems. With the proposed method, the solid structural region, in which only the heat conduction is considered, can be easily represented using an unstructured grid method. As for the fluid flow region external to the solid material, the Chimera overset grid scheme has been shown to be very flexible and efficient in resolving complex configurations. The numerical analyses require the flow field solution and material thermal response to be obtained simultaneously. A continuous transfer of temperature and heat flux is specified at the interface, which connects the solid structure and the fluid flow as an integral system. Numerical results are compared with analytical and experimental data for a flat plate and a C3X cooled turbine cascade. A simplified drum-disk system is also simulated to show the effectiveness of this hybrid grid system.

Kao, Kai-Hsiung↗
DOE OSTI2022

Resolve the Clear-Sky Continuous Diurnal Cycle of High-Resolution ECOSTRESS Evapotranspiration and Land Surface Temperature

Although numerous evapotranspiration (ET) estimates have been developed from remote sensing measurements, a diurnally resolved product with high spatial resolution (<100 m) is still lacking, which is critically needed for agricultural and ecological monitoring. The ECOsystem Spaceborne Thermal Radiometer Experiment on Space Station (ECOSTRESS) provides, for the first time, ET at 70 m resolution with diurnal samplings, enabling a step toward filling this data gap. This study developed the first framework to resolve the full diurnal cycle of ET and Land Surface Temperature (LST) from sporadic ECOSTRESS measurements. We first constructed 70 m diurnal LST utilizing a diurnal temperature cycle (DTC) model that fused ECOSTRESS and Geostationary Operational Environmental Satellite (GOES) LST. Next, we derived 70 m diurnal ET from the diurnally resolved LST, along with ancillary meteorological and reflectance data sets, using the Priestley-Taylor Jet Propulsion Laboratory (PT-JPL) algorithm. This framework was tested in two regions: A relatively homogeneous semiarid grassland landscape (centered at the US-Seg Ameriflux site) and a heterogeneous humid cropland landscape (centered at US-ARM). Our diurnally resolved LST and ET successfully reproduced the spatial patterns in the native ECOSTRESS measurements during overpasses for both landscapes (LST: r > 0.97, RMSE ~2°C; ET: r > 0.99, and RMSE = 1–7 W m -2 ). The constructed time series also well captured the temporal variability of the in situ measurements (especially under clear-sky conditions) at both US-Seg and US-ARM, albeit performance varying with availability and quality of ECOSTRESS samples. This study sets the stage for testing and applying our framework to broader climates, biomes, and landscapes toward eventually generating diurnally resolved 70 m global operational LST/ET products to enhance ecological/agricultural applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Learning continuous models for continuous physics

Abstract Dynamical systems that evolve continuously over time are ubiquitous throughout science and engineering. Machine learning (ML) provides data-driven approaches to model and predict the dynamics of such systems. A core issue with this approach is that ML models are typically trained on discrete data, using ML methodologies that are not aware of underlying continuity properties. This results in models that often do not capture any underlying continuous dynamics—either of the system of interest, or indeed of any related system. To address this challenge, we develop a convergence test based on numerical analysis theory. Our test verifies whether a model has learned a function that accurately approximates an underlying continuous dynamics. Models that fail this test fail to capture relevant dynamics, rendering them of limited utility for many scientific prediction tasks; while models that pass this test enable both better interpolation and better extrapolation in multiple ways. Our results illustrate how principled numerical analysis methods can be coupled with existing ML training/testing methodologies to validate models for science and engineering applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Taking learning to another level

As a technical project manager at Los Alamos National Laboratory, Scott Boise works on programs and projects that make a big impact. Although he spends most of his days in a quiet office, he also makes a big impact on his team. He's well-known for his character and integrity because of the way he develops leadership skills on the team, promotes respect for others and lives a commitment to learning. Scott joined the Lab in June 2021, the period of the COVID-19 pandemic when most new employees began their careers without ever having stepped foot on-site. That experience has continued to serve as a reminder to him that new employees face numerous challenges no matter how and when they start. He's made it his aim to do what he can to lift some of that load. Coming to the Lab from a career in the biomedical industry, Scott arrived with years of project management experience but without a deep understanding of nuclear operations. His dedication to continuous learning has helped him pursue experiential opportunities and ask the proper questions to understand his role.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Universal Compiling and (No-)Free-Lunch Theorems for Continuous-Variable Quantum Learning

Quantum compiling, where a parameterized quantum circuit is trained to learn a target unitary, is an important primitive for quantum computing that can be used as a subroutine to obtain optimal circuits or as a tomographic tool to study the dynamics of an experimental system. While much attention has been paid to quantum compiling on discrete-variable hardware, less has been paid to compiling in the continuous-variable paradigm. Here we motivate several, closely related, short-depth continuous-variable algorithms for quantum compilation. We analyze the trainability of our proposed cost functions and numerically demonstrate our algorithms by learning arbitrary Gaussian operations and Kerr nonlinearities. We further make connections between this framework and quantum learning theory in the continuous-variable setting by deriving no-free-lunch theorems. These generalization bounds demonstrate a linear resource reduction for learning Gaussian unitaries using entangled coherent-Fock states and an exponential resource reduction for learning arbitrary unitaries using two-mode-squeezed states.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1971

Comparison of a discrete steepest ascent method with the continuous steepest ascent method for optimal programing

A discrete steepest ascent method which allows controls which are not piecewise constant (for example, it allows all continuous piecewise linear controls) was derived for the solution of optimal programming problems. This method is based on the continuous steepest ascent method of Bryson and Denham and new concepts introduced by Kelley and Denham in their development of compatible adjoints for taking into account the effects of numerical integration. The method is a generalization of the algorithm suggested by Canon, Cullum, and Polak with the details of the gradient computation given. The discrete method was compared with the continuous method for an aerodynamics problem for which an analytic solution is given by Pontryagin's maximum principle, and numerical results are presented. The discrete method converges more rapidly than the continuous method at first, but then for some undetermined reason, loses its exponential convergence rate. A comparsion was also made for the algorithm of Canon, Cullum, and Polak using piecewise constant controls. This algorithm is very competitive with the continuous algorithm.

Childs, A. G.↗
DOE OSTI2020

Beyond universal behavior in the one-dimensional chain with random nearest-neighbor hopping

Here, we study the one-dimensional nearest-neighbor tight-binding model of electrons with independently distributed random hopping and no on-site potential (i.e., off-diagonal disorder with particle-hole symmetry, leading to sublattice symmetry, for each realization). For nonsingular distributions of the hopping, it is known that the model exhibits a universal, singular behavior of the density of states $ρ(E) ~ 1/|E\: \text{ln}^3 |E||$ and of the localization length $ξ(E) ~ |\text{ln}|E||$, near the band center $\textit{E}$ = 0 . (This singular behavior is also applicable to random $\textit{XY}$ and Heisenberg spin chains; it was first obtained by Dyson for a specific random harmonic oscillator chain.) Simultaneously, the state at$\textit{E}$ = 0 shows a universal, subexponential decay at large distances $\sim \text{exp}[–\sqrt{r/r_0}]$. In this study, we consider singular, but normalizable, distributions of hopping, whose behavior at small $\textit{t}$ is of the form $\sim 1/[t \text{ln}^{λ+1}(1/t)]$, characterized by a single, continuously tunable parameter λ > 0. We find, using a combination of analytic and numerical methods, that while the universal result applies for λ > 2, it no longer holds in the interval 0 < λ < 2. In particular, we find that the form of the density of states singularity is enhanced (relative to the Dyson result) in a continuous manner depending on the nonuniversal parameter λ; simultaneously, the localization length shows a less divergent form at low energies and ceases to diverge below λ = 1. For λ < 2, the fall-off of the $\textit{E}$ = 0 state at large distances also deviates from the universal result and is of the form $\sim\text{exp}[–(r/r_0)^{1/λ}]$ , which decays faster than an exponential for λ < 1.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Formation of 6H-Ba 3 Ce 0.75 Mn 2.25 O 9 during Thermochemical Reduction of 12R-Ba 4 CeMn 3 O 12 : Identification of a Polytype in the Ba(Ce,Mn)O 3 Family

The resurgence of interest in a hydrogen economy and the development of hydrogen-related technologies has initiated numerous research and development efforts aimed at making the generation, storage, and transportation of hydrogen more efficient and affordable. Solar thermochemical hydrogen production (STCH) is a process that potentially exhibits numerous benefits such as high reaction efficiencies, tunable thermodynamics, and continued performance over extended cycling. Although CeO 2 has been the de facto standard STCH material for many years, more recently 12R-Ba 4 CeMn 3 O 12 (BCM) has demonstrated enhanced hydrogen production at intermediate H 2 /H 2 O conditions compared to CeO 2 , making it a contender for large-scale hydrogen production. However, the thermo-reduction stability of 12R-BCM dictates the oxygen partial pressure (pO 2 ) and temperature conditions optimal for cycling. In this study, we identify the formation of a 6H-BCM polytype at high temperature and reducing conditions, experimentally and computationally, as a mechanism and pathway for 12R-BCM decomposition. 12R-BCM was synthesized with high purity and then controllably reduced using thermogravimetric analysis (TGA). Synchrotron X-ray diffraction (XRD) data is used to identify the formation of a 6H-Ba 3 Ce 0.75 Mn 2.25 O 9 (6H-BCM) polytype that is formed at 1350 degrees C under strongly reducing pO 2 . Density functional theory (DFT) total energy and defect calculations show a window of thermodynamic stability for the 6H-polytype consistent with the XRD results. These data provide the first evidence of the 6H-BCM polytype and could provide a mechanistic explanation for the superior water-splitting behaviors of 12R-BCM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Advances in Clayff Molecular Simulation of Layered and Nanoporous Materials and Their Aqueous Interfaces

As a general-purpose force field for molecular simulations of layered materials and their fluid interfaces, Clayff continues to see broad usage in atomistic computational modeling for numerous geoscience and materials science applications due to its (1) success in predicting properties of bulk nanoporous materials and their interfaces, (2) transferability to a range of layered and nanoporous materials, and (3) simple functional form which facilitates incorporation into a variety of simulation codes. Here, we review applications of Clayff to model bulk phases and interfaces not included in the original parameter set and recent modifications for modeling surface terminations such as hydroxylated nanoparticle edges. Overall, we conclude with a discussion of expectations for future developments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗