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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Validation of Vehicle Panel/Equipment Response from Diffuse Acoustic Field Excitation Using Spatially Correlated Transfer Function Approach

An approach for predicting the vibration, strain, and force responses of a flight-like vehicle panel assembly to acoustic pressures is presented. Important validation for the approach is provided by comparison to ground test measurements in a reverberant chamber. The test article and the corresponding analytical model were assembled in several configurations to demonstrate the suitability of the approach for response predictions when the vehicle panel is integrated with equipment. Critical choices in the analysis necessary for convergence of the predicted and measured responses are illustrated through sensitivity studies. The methodology includes representation of spatial correlation of the pressure field over the panel surface. Therefore, it is possible to demonstrate the effects of hydrodynamic coincidence in the response. The sensitivity to pressure patch density clearly illustrates the onset of coincidence effects on the panel response predictions.

Smith, Andrew↗
NASA NTRS2022

A NASA-Air Force Precipitation Analysis for Near-Real-Time Operations

This article describes a new precipitation analysis algorithm developed by NASA for time-sensitive operations at the United States Air Force. Implemented as part of the Land Information System—a land modeling and data assimilation software framework—this NASA–Air Force Precipitation Analysis (NAFPA) combines numerical weather prediction model outputs with rain gauge measurements and satellite estimates to produce global, gridded 3-h accumulated precipitation fields at approximately 10-km resolution. Input observations are subjected to quality control checks before being used by the Bratseth analysis algorithm that converges to optimal interpolation. NAFPA assimilates up to 3.5 million observations without artificial data thinning or selection. To evaluate this new approach, a multiyear reanalysis is generated and intercompared with eight alternative precipitation products across the contiguous United States, Africa, and the monsoon region of eastern Asia. NAFPA yields superior accuracy and correlation over low-latency (up to 14 h) alternatives (numerical weather prediction and satellite retrievals), and often outperforms high-latency (up to 3.5 months) products, although the details for the latter vary by region and product. The development of NAFPA offers a high-quality, near-real-time product for use in meteorological, land surface, and hydrological research and applications.

Africa↗
NASA NTRSDate not supplied

Optimal Control using Composite Bernstein Approximants

In this work, we present composite Bernstein polynomials as a direct collocation method for approximating optimal control problems. An analysis of the convergence properties of composite Bernstein polynomials is provided, and beneficial properties of composite Bernstein polynomials for the solution of optimal control problems are discussed. The efficacy of the proposed approximation method is demonstrated through a bang-bang example. Lastly, we apply this method to a motion planning problem, offering a practical solution that emphasizes the ability of this method to solve complex optimal control problems.

Gage MacLin↗
DOE OSTI2025

Design and Demonstration of a NH3-Fueled Two-Stroke Uniflow Engine for Greenhouse Gas Reduction

The maritime shipping industry is growing increasingly interested in both low and non-carbon-containing fuels to meet future greenhouse gas emission targets. Specifically of interest is ammonia, as it has a relatively high volumetric energy density compared to other future fuels, such as hydrogen, making it more economical to transport. The robust engine architecture of low-speed two-stroke marine engines makes them an ideal candidate for ammonia fuel, overcoming many of the issues surrounding its poor ignitability and low flame speed. If emissions and fueling system challenges can be addressed, retrofits of current low-speed two-stroke dual-fuel engines represent a viable pathway for bringing ammonia engines to market. This study explores these technical hurdles by describing the design, analysis, and experimental validation of a single cylinder research engine converted to operate on ammonia fuel. The engine is a reduced-scale uniflow two-stroke marine engine with two previous hardware configurations available – diesel and high-pressure CNG dual-fuel. A concept study was used to evaluate possible ammonia-fueled engine architectures and the associated tradeoffs and design considerations. With the chosen architecture, low-pressure dual fuel, 1D and 3D analysis tools were used to inform hardware selection and to determine hardware configurations which minimized ammonia-slip. In addition to these considerations the hardware and engine configuration were designed to provide a versatile and robust testing platform. This includes options to test both gaseous and liquid ammonia injection, as well as a wide range of performance parameters such as AFR, swirl, valve timing, SOI, and many others. Design constraints imposed by the existing engine hardware necessitated an iterative loop between design and analysis toolsets, ultimately converging on a final design for the ammonia-conversion hardware. The engine was rebuilt with the new hardware and evaluated in an engine test cell. A new control strategy developed and flashed onto a prototyping electronic control unit allowed for full control over all engine parameters. An initial calibration was developed, providing test data for validation of the engine 1D and 3D models. The impact of the design choices on engine operability and the ability to meet program targets is discussed as well as opportunities for further optimization of the ammonia-conversion hardware, informed by the validated models.

Kaul, Brian [ORNL] (ORCID:0000000184813620)↗
NASA NTRS1989

The proximity of hotspots to convergent and divergent plate boundaries

An analysis of four different hotspot distributions, ranging from Morgan's (1972) original list of 19 to Vogt's (1981) list of 117 reveals that the hotspots are preferentially located near divergent plate boundaries. The probability of this proximity occurring by chance alone is quite remote, less than 0.01 for all four hotspot distributions. The same analysis also reveals that the hotspots are preferentially excluded from regions near convergent plate boundaries. The probability of this exclusion occurring by chance alone is 0.1 or less for three out of the four distributions examined. We interpret this behavior as being a consequence of the effects of large scale convective circulation on ascending mantle plumes. Mantle thermal plumes, the most probable source of hotspots, arise from instabilities in a basal thermal boundary layer. Plumes are suppressed from regions beneath convergent boundaries by descending flow and are entrained into the upwelling flow beneath spreading centers. Plate-scale convective circulation driven by subduction may also advect mantle thermal plumes toward spreading centers.

Weinstein, Stuart A.↗
DOE OSTI2023

Advanced Turbulence Models for Large-Scale Atmospheric Boundary Layer Flows

We present high-fidelity large-eddy-simulation (LES) modeling approaches for the turbulent atmospheric boundary layer (ABL) flows. Wind energy is a prime example of an application driven by ABL. Generation of electrical energy from farms of wind turbines at night in the stable ABL is a particularly interesting situation. In this report, we consider the well-known GEWEX (Global Energy and Water Cycle Experiment) Atmospheric Boundary Layer Study (GABLS) stably stratified benchmark LES case. We use a high-order spectral element code Nek5000/RS, which is supported under the DOE's Exascale Computing Project (ECP) Center for Efficient Exascale Discretizations (CEED) project, targeting application simulations on various acceleration-device based exascale computing platforms. In our earlier ANL report, we demonstrated our newly developed subgrid-scale (SGS) models based on high-pass filter (HPF), mean-field eddy viscosity (MFEV), and Smagorinsky (SMG) with no-slip and traction boundary conditions, provided with low-order statistics, convergence and turbulent structure analysis. In this report, we extend the range of our SGS modeling approaches in the context of the mean-field eddy viscosity (MFEV), to include the solution of an SGS turbulent kinetic energy equation (TKE). We demonstrate the model fidelity of Nek5000/RS in comparison to that of AMR-Wind, a block-structured second-order finite-volume code with adaptive-mesh-refinement capabilities, with which we studied scaling performance for both codes in comparison on DOE's leadership computing platforms.

17 WIND ENERGY↗
NASA NTRS1994

Recent advances in the structual analysis of scientific balloons

The analysis of balloon envelopes by the finite element (FE) method is plagued by convergence problems. A pratical FE analysis approach is based on the fact that in thin shells with non-zero Gaussian curvature the membrane solution component is essentially decoupled from the bending solution component. A proxy-problem is solved by using a small artificial bending stiffness that assures convergence without significantly affecting the membrane solution component. This approach has been previously validated on slightly overpressurized balloon envelopes. Extensions of this approach to more difficult problems in the structural analysis of balloon envelopes are presented. The convergence forcing modelling measures are discussed. Implications of the findings of the analysis results to future balloon designs are also discussed.

Schur, W. W.↗
NASA NTRS2000

Resin Film Infusion (RFI) Process Modeling for Large Transport Aircraft Wing Structures

This investigation completed the verification of a three-dimensional resin transfer molding/resin film infusion (RTM/RFI) process simulation model. The model incorporates resin flow through an anisotropic carbon fiber preform, cure kinetics of the resin, and heat transfer within the preform/tool assembly. The computer model can predict the flow front location, resin pressure distribution, and thermal profiles in the modeled part. The formulation for the flow model is given using the finite element/control volume (FE/CV) technique based on Darcy's Law of creeping flow through a porous media. The FE/CV technique is a numerically efficient method for finding the flow front location and the fluid pressure. The heat transfer model is based on the three-dimensional, transient heat conduction equation, including heat generation. Boundary conditions include specified temperature and convection. The code was designed with a modular approach so the flow and/or the thermal module may be turned on or off as desired. Both models are solved sequentially in a quasi-steady state fashion. A mesh refinement study was completed on a one-element thick model to determine the recommended size of elements that would result in a converged model for a typical RFI analysis. Guidelines are established for checking the convergence of a model, and the recommended element sizes are listed. Several experiments were conducted and computer simulations of the experiments were run to verify the simulation model. Isothermal, non-reacting flow in a T-stiffened section was simulated to verify the flow module. Predicted infiltration times were within 12-20% of measured times. The predicted pressures were approximately 50% of the measured pressures. A study was performed to attempt to explain the difference in pressures. Non-isothermal experiments with a reactive resin were modeled to verify the thermal module and the resin model. Two panels were manufactured using the RFI process. One was a stepped panel and the other was a panel with two 'T' stiffeners. The difference between the predicted infiltration times and the experimental times was 4% to 23%.

Loos, Alfred C.↗
NASA NTRS1989

Formal verification of a fault tolerant clock synchronization algorithm

A formal specification and mechanically assisted verification of the interactive convergence clock synchronization algorithm of Lamport and Melliar-Smith is described. Several technical flaws in the analysis given by Lamport and Melliar-Smith were discovered, even though their presentation is unusally precise and detailed. It seems that these flaws were not detected by informal peer scrutiny. The flaws are discussed and a revised presentation of the analysis is given that not only corrects the flaws but is also more precise and easier to follow. Some of the corrections to the flaws require slight modifications to the original assumptions underlying the algorithm and to the constraints on its parameters, and thus change the external specifications of the algorithm. The formal analysis of the interactive convergence clock synchronization algorithm was performed using the Enhanced Hierarchical Development Methodology (EHDM) formal specification and verification environment. This application of EHDM provides a demonstration of some of the capabilities of the system.

Rushby, John↗
NASA NTRS1980

An extended field method solution for a pulse loaded thin plate

This paper deals with a new extension of a weighted residual method of analysis called the extended field method. The extended field method is applied for the first time to the problem of the transient vibration of a uniformly thin elastic plate. Numerical results have been obtained which validate the analysis procedure and show better solution convergence than is obtainable by standard methods of analysis for the same number of degrees of freedom. Further studies are necessary to obtain still better convergence.

Donaldson, B. K.↗
NASA NTRS1989

A zonal method for modeling powered-lift aircraft flow fields

A zonal method for modeling powered-lift aircraft flow fields is based on the coupling of a three-dimensional Navier-Stokes code to a potential flow code. By minimizing the extent of the viscous Navier-Stokes zones the zonal method can be a cost effective flow analysis tool. The successful coupling of the zonal solutions provides the viscous/inviscid interations that are necessary to achieve convergent and unique overall solutions. The feasibility of coupling the two vastly different codes is demonstrated. The interzone boundaries were overlapped to facilitate the passing of boundary condition information between the codes. Routines were developed to extract the normal velocity boundary conditions for the potential flow zone from the viscous zone solution. Similarly, the velocity vector direction along with the total conditions were obtained from the potential flow solution to provide boundary conditions for the Navier-Stokes solution. Studies were conducted to determine the influence of the overlap of the interzone boundaries and the convergence of the zonal solutions on the convergence of the overall solution. The zonal method was applied to a jet impingement problem to model the suckdown effect that results from the entrainment of the inviscid zone flow by the viscous zone jet. The resultant potential flow solution created a lower pressure on the base of the vehicle which produces the suckdown load. The feasibility of the zonal method was demonstrated. By enhancing the Navier-Stokes code for powered-lift flow fields and optimizing the convergence of the coupled analysis a practical flow analysis tool will result.

Roberts, D. W.↗
NASA NTRS1986

Improving the convergence rate to steady state of parabolic ADI methods

The present, residuals' L(2)-norms analysis of the rate of convergence to steady state for parabolic ADI solvers allows the prediction of the number of iterations required for convergence, as a function of the Courant number alpha. A modification of current ADI codes is presented which significantly improves the convergence rate and is insensitive to the Courant number over a large range of alpha. This corrected algorithm is tested for the cases of Dirichlet problems for uniform grids of many mesh sizes, mixed Dirichlet-Neumann problems, and problems defined on stretched grids and/or problems with variable coefficients.

Abarbanel, Saul S.↗
DOE OSTI2020

Improving Time Step Convergence in an Atmosphere Model With Simplified Physics: The Impacts of Closure Assumption and Process Coupling

Convergence testing is a common practice in the development of dynamical cores of atmospheric models but is not as often exercised for the parameterization of sub-grid physics. An earlier study revealed that the stratiform cloud parameterizations in several predecessors of the Energy Exascale Earth System Model (E3SM) showed strong time-step sensitivity and slower-than-expected convergence when the model's time step was systematically refined. In this work, a simplified atmosphere model is configured that consists of the spectral-element dynamical core of the E3SM atmosphere model coupled with a large-scale condensation parameterization based on commonly used assumptions. This simplified model also resembles E3SM and its predecessors in the numerical implementation of process coupling and shows poor time-step convergence in short ensemble tests. We present a formal error analysis to reveal the expected time-step convergence rate and the conditions for obtaining such convergence. Numerical experiments are conducted to investigate the root causes of convergence problems. We show that revisions in the process coupling and closure assumption help to improve convergence in short simulations using the simplified model; the same revisions applied to a full atmosphere model lead to significant changes in the simulated long-term climate. This work demonstrates that causes of convergence issues in atmospheric simulations can be understood by combining analyses from physical and mathematical perspectives. Addressing convergence issues can help to obtain a discrete model that is more consistent with the intended representation of the physical phenomena.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1989

Spectroscopic analysis of transition state energy levels - Bending-rotational spectrum and lifetime analysis of H3 quasibound states

Converged quantum mechanical calculations of scattering matrices and transition probabilities are reported for the reaction of H with H2 with total angular momentum 0, 1, and 4 as functions of total energy in the range 0.85-1.15 eV on an accurate potential energy surface. The resonance structure is illustrated with Argand diagrams. State-to-state reactive collision delay times and lifetimes are presented. For J = 0, 1, and 4, the lowest-energy H3 resonance is at total energies of 0.983, 0.985, and 1.01 eV, respectively, with lifetimes of about 16-17 fs. For J = 1 and 4 there is a higher-energy resonance at 1.10-1.11 eV. For J = 1 the lifetime is about 4 fs and for J = 4 it is about 1 fs.

Zhao, Meishan↗
NASA NTRS1984

Severe storm initiation and development from satellite infrared imagery and Rawinsonde data

The geographical distribution of potential temperatures, mixing ratio, and streamlines of flow patterns at 850, 700, and 500 mb heights are used to understand the prestorm convection and the horizontal convergence of moisture. From the analysis of 21 tornadoes the following conclusions are reached: (1) Strong horizontal convergence of moisture appeared at the 850, 700, and 500 mb levels in the area 12 hours before the storm formation; (2) An abundantly moist atmosphere below 3 km (700 mb) becomes convectively unstable during the time period between 12 and 24 hours before the initiation of the severe storms; (3) Strong winds veering with height with direction parallel to the movement of a dryline, surface fronts, etc; (4) During a 36-hour period, a tropopause height in the areas of interest is lowest at the time of tornadic cloud formation; (5) A train of gravity waves is detected before and during the cloud formation period. Rapid-scan infrared imagery provides near real-time information on the life cycle of the storm which can be summarized as follows: (1) Enhanced convection produced an overshooting cloud top penetrating above the tropopause, making the mass density of the overshooting cloud much greater than the mass density of the surrounding air; (2) The overshooting cloud top collapsed at the end of the mature stage of the cloud development; (3) The tornado touchdown followed the collapse of the overshooting cloud top.

Hung, R. J.↗
DOE OSTI2024

Benchmarking Correlation-Consistent Basis Sets for Frequency-Dependent Polarizabilities with Multiresolution Analysis

This paper presents the first converged frequency-dependent HF polarizability results for general molecules, on a set of 89 closed-shell atoms and molecules. The solver employs multiresolution analysis (MRA) in a multiwavelet basis to compute both ground and response states to a guaranteed precision, which are validated against independent numerical grid calculations on atoms and linear molecules. The MRA ground-state energies and response properties are used to evaluate results in correlation-consistent basis sets up to 5Z augmented with either single or double diffuse functions and core-polarization functions. Systematic trends are revealed through consideration of chemical composition as well as the use of machine learning to cluster convergence trends, the latter suggesting the possibility of learning and correcting basis-set error.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Pitfalls in the n -mode representation of vibrational potentials

Simulations of anharmonic vibrational motion rely on computationally expedient representations of the governing potential energy surface. The n-mode representation (n-MR)—effectively a many-body expansion in the space of molecular vibrations—is a general and efficient approach that is often used for this purpose in vibrational self-consistent field (VSCF) calculations and correlated analogues thereof. In the present analysis, a lack of convergence in many VSCF calculations is shown to originate from negative and unbound potentials at truncated orders of the n-MR expansion. For cases of strong anharmonic coupling between modes, the n-MR can both dip below the true global minimum of the potential surface and lead to effective single-mode potentials in VSCF that do not correspond to bound vibrational problems, even for bound total potentials. The present analysis serves mainly as a pathology report of this issue. Furthermore, this insight into the origin of VSCF non-convergence provides a simple, albeit ad hoc, route to correct the problem by “painting in” the full representation of groups of modes that exhibit these negative potentials at little additional computational cost. Somewhat surprisingly, this approach also reasonably approximates the results of the next-higher n-MR order and identifies groups of modes with particularly strong coupling. The method is shown to identify and correct problematic triples of modes—and restore SCF convergence—in two-mode representations of challenging test systems, including the water dimer and trimer, as well as protonated tropine.

Chemistry↗
DOE OSTI2023

Unified analysis of finite-size error for periodic Hartree-Fock and second order Møller-Plesset perturbation theory

Despite decades of practice, finite-size errors in many widely used electronic structure theories for periodic systems remain poorly understood. For periodic systems using a general Monkhorst-Pack grid, there has been no comprehensive and rigorous analysis of the finite-size error in the Hartree-Fock theory (HF) and the second order Møller-Plesset perturbation theory (MP2), which are the simplest wavefunction based method, and the simplest post-Hartree-Fock method, respectively. Such calculations can be viewed as a multi-dimensional integral discretized with certain trapezoidal rules. Due to the Coulomb singularity, the integrand has many points of discontinuity in general, and standard error analysis based on the Euler-Maclaurin formula gives overly pessimistic results. The lack of analytic understanding of finite-size errors also impedes the development of effective finite-size correction schemes. We propose a unified analysis to obtain sharp convergence rates of finite-size errors for the periodic HF and MP2 theories. Our main technical advancement is a generalization of the result of Lyness [Math. Comp. 30 (1976), pp. 1–23] for obtaining sharp convergence rates of the trapezoidal rule for a class of non-smooth integrands. Our result is applicable to three-dimensional bulk systems as well as low dimensional systems (such as nanowires and 2D materials). Our unified analysis also allows us to prove the effectiveness of the Madelung-constant correction to the Fock exchange energy, and the effectiveness of a recently proposed staggered mesh method for periodic MP2 calculations (see X. Xing, X. Li, and L. Lin [J. Chem. Theory Comput. 17 (2021), pp. 4733–4745]). In conclusion, our analysis connects the effectiveness of the staggered mesh method with integrands with removable singularities, and suggests a new staggered mesh method for reducing finite-size errors of periodic HF calculations.

97 MATHEMATICS AND COMPUTING↗