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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 109 records · Page 6

Optimal Control within the Context of Multidisciplinary Design, Analysis, and Optimization

Multidisciplinary design, analysis and optimization involves modeling the interactions of complex systems across a variety of disciplines. The optimization of such systems can be a computationally expensive exercise with multiple levels of nested nonlinear solvers running under an optimizer.The application of optimal control in project development often involves performing trajectory optimization for fixed vehicle designs or parametric sweeps across some key vehicle properties.This information is then relayed to the subsystem design teams who update their designs and relay some bulk characteristics back to the trajectory optimization procedure.This iteration is then repeated until the design closes.However, with increasing interest in more tightly coupled systems, such as electric and hybrid-electric aircraft propulsion and boundary layer ingestion, this process is prone to ignore subtle coupling between vehicle subsystem designs and vehicle operation on a given mission.Integrating trajectory optimization into a tightly coupled multidisciplinary design procedure can be computationally prohibitive, depending on the complexity of the subsystem analyses and the optimal control technique applied.To address these issues a new optimal control software tool, Dymos, has been developed.Dymos is built upon NASA's OpenMDAO software and can leverage its capabilities to efficiently compute gradients for the optimization and optimize complex models in parallel on distributed memory systems.This report provides some explanation into the numerical methods employed in Dymos and provides several use cases that demonstrate its performance on traditional optimal control problems and improvements ino techniques have been used extensively in recent decades to solve a variety of optimal control problems, typically in the form of aerospace vehicle trajectory optimization.

pseudospectral↗

Computer simulation of initial events in the biochemical mechanisms of DNA damage

Understanding the systematic and quantitative correlation between the physical events of energy deposition by ionizing radiation and the ensuing chemical and biochemical processes leading to DNA damage is one of the goals in radiation research. Significant progress has been made toward achieving the stated goal by using theoretical modeling techniques. These techniques are strongly dependent on computer simulation procedures. A review of such techniques with details of various stages of simulation development, including a comparison with available experimental data, is presented in this article.

Non-NASA Center↗

A review of thermo-hydro-mechanical modeling of coupled processes in fractured rock: From continuum to discontinuum perspective

Coupled thermo-hydro-mechanical (THM) processes in fractured rock are playing a crucial role in geoscience and geoengineering applications. Diverse and conceptually distinct approaches have emerged over the past decades in both continuum and discontinuum perspectives leading to significant progress in their comprehending and modeling. This review paper offers an integrated perspective on existing modeling methodologies providing guidance for model selection based on the initial and boundary conditions. By comparing various models, one can better assess the uncertainties in predictions, particularly those related to the conceptual models. The review explores how these methodologies have significantly enhanced the fundamental understanding of how fractures respond to fluid injection and production, and improved predictive capabilities pertaining to coupled processes within fractured systems. It emphasizes the importance of utilizing advanced computational technologies and thoroughly considering fundamental theories and principles established through past experimental evidence and practical experience. The selection and calibration of model parameters should be based on typical ranges and applied to the specific conditions of applications. The challenges arising from inherent heterogeneity and uncertainties, nonlinear THM coupled processes, scale dependence, and computational limitations in representing field scale fractures are discussed. Realizing potential advances on computational capacity calls for methodical conceptualization, mathematical modeling, selection of numerical solution strategies, implementation, and calibration to foster simulation outcomes that intricately reflect the nuanced complexities of geological phenomena. Future research efforts should focus on innovative approaches to tackle the hurdles and advance the state-of-the-art in this critical field of study.

Coupling scheme↗

Hybrid algorithm for the time-dependent Hartree–Fock method using the Yang–Baxter equation on quantum computers *

Abstract The time-dependent Hartree–Fock (TDHF) method is an approach to simulate the mean field dynamics of electrons within the assumption that the electrons move independently in their self-consistent average field and within the space of single Slater determinants. One of the major advantages of performing time dynamics within Hartree–Fock theory is the free fermionic nature of the problem, which makes TDHF classically simulatable in polynomial time. Here, we present a hybrid TDHF implementation for quantum computers. This quantum circuit grows with time; but with our recent work on circuit compression via the Yang–Baxter equation (YBE), the resulting circuit is constant depth. This study provides a new way to simulate TDHF with the aid of a quantum device as well as provides a new direction for the application of YBE symmetry in quantum chemistry simulations.

97 MATHEMATICS AND COMPUTING↗

Computation of turbulent flows

The essential ingredients and the effectiveness of several levels of turbulent-flow partial differential equation models are considered. Zero-equation models use only the partial differential equation (pde) for the mean velocity field and do not employ turbulence pde's. One-equation models make use of an additional pde relating to the turbulence velocity scale. Attention is also given to two-equation models, stress-equation models, and large eddy simulations. Large-eddy simulations are concerned with a three-dimensional time-dependent numerical computation of the large-scale turbulence.

Reynolds, W. C.↗

Ionospheric convection inferred from interplanetary magnetic field-dependent Birkeland currents

Computer simulations of ionospheric convection have been performed, combining empirical models of Birkeland currents with a model of ionospheric conductivity in order to investigate IMF-dependent convection characteristics. Birkeland currents representing conditions in the northern polar cap of the negative IMF By component are used. Two possibilities are considered: (1) the morning cell shifting into the polar cap as the IMF turns northward, and this cell and a distorted evening cell providing for sunward flow in the polar cap; and (2) the existence of a three-cell pattern when the IMF is strongly northward.

Rasmussen, C. E.↗

Acceleration techniques for dependability simulation

As computer systems increase in complexity, the need to project system performance from the earliest design and development stages increases. We have to employ simulation for detailed dependability studies of large systems. However, as the complexity of the simulation model increases, the time required to obtain statistically significant results also increases. This paper discusses an approach that is application independent and can be readily applied to any process-based simulation model. Topics include background on classical discrete event simulation and techniques for random variate generation and statistics gathering to support simulation.

Barnette, James David↗

Numerical Studies of a Supersonic Fluidic Diverter Actuator for Flow Control

The analysis of the internal flow structure and performance of a specific fluidic diverter actuator, previously studied by time-dependent numerical computations for subsonic flow, is extended to include operation with supersonic actuator exit velocities. The understanding will aid in the development of fluidic diverters with minimum pressure losses and advanced designs of flow control actuators. The self-induced oscillatory behavior of the flow is successfully predicted and the calculated oscillation frequencies with respect to flow rate have excellent agreement with our experimental measurements. The oscillation frequency increases with Mach number, but its dependence on flow rate changes from subsonic to transonic to supersonic regimes. The delay time for the initiation of oscillations depends on the flow rate and the acoustic speed in the gaseous medium for subsonic flow, but is unaffected by the flow rate for supersonic conditions

Gokoglu, Suleyman A.↗

Global Magnetohydrodynamic Modeling of the Solar Corona

Under this contract, we have continued our investigations of the large scale structure of the solar corona and inner heliosphere using global magnetohydrodynamic (MHD) simulations. These computations have also formed the basis for studies of coronal mass ejections (CMES) using realistic coronal configurations. We have developed a technique for computing realistic magnetohydrodynamic (MHD) computations of the solar corona and inner heliosphere. To perform computations that can be compared with specific observations, it is necessary to incorporate solar observations into the boundary conditions. We have used the Wilcox Solar Observatory synoptic maps (collected during a solar rotation by daily measurements of the line-of-sight magnetic field at central meridian) to specify the radial magnetic field (B,) at the photosphere. For the initial condition, we use a potential magnetic field consistent with the specified distribution of B, at the lower boundary, and a wind solution consistent with the specified plasma density and temperature at the solar surface. Together this initial condition forms a (non-equilibrium) approximation of the state of the solar corona for the time-dependent MHD computation. The MHD equations are then integrated in time to steady state. Here we describe solutions relevant to a recent solar eclipse, as well as Ulysses observations. We have also developed a model configuration of solar minimum, useful for studying CME initiation and propagation.

Linker, Jon A.↗

The computation of steady nozzle flow by a time-dependent method

The steady flow in two-dimensional and axisymmetric nozzles was computed using a time-dependent method. In this method the interior mesh points were computed using the MacCormack finite-difference scheme, while a characteristic scheme was used to calculate the boundary mesh points. No explicit artificial viscosity term was included. The fluid was assumed to be a perfect gas. This method was used to compute the flow in a 45 deg - 15 deg conical, converging-diverging nozzle, a 15 deg conical, converging nozzle, and a 10 deg conical, plug nozzle. Good agreement between the numerical solution and experimental data was found. In contrast to previous time-dependent methods, the computational times were less than one minute on a CDC 6600 computer.

Cline, M. C.↗

An approach for fast and accurate simulation of phase change material based thermal energy storage in buildings

Latent heat thermal energy storage (LHTES) has significant potential for mitigating peak electricity demand and enabling load shifting in buildings. Phase Change Material embedded heat exchangers (PCM-HX) can significantly improve energy demand management due to high storage capacity. However, PCM-HX evaluation typically depends on computationally expensive fully transient simulations, posing significant challenges for scalable system- and building-level energy assessments across different climates and system architectures. This paper presents a generalized, accurate, and computationally efficient methodology for simulating building energy systems integrated with LHTES. The PCM-HX transient performance is represented by performance maps generated using a Generalized Resistance-Capacitance Model (GRCM) that enables accurate predictions of arbitrary PCM-HXs at low computational cost. The feasibility of the proposed approach was verified using a case study considering a dual-mode heat pump-thermal energy storage (HP-TES) system simulated in Modelica with Spawn of EnergyPlus™ for a DOE prototype small office building in two locations: Tampa, FL, and International Falls, MN. The PCM-HX performance maps provided accurate predictions of PCM-HX transient behavior, with mean absolute percentage deviations within 2–4% compared to GRCM while also achieving at least 1800× reduction in computational time. Moreover, the HP-TES system achieved energy savings of up to 17.4% in Tampa, FL, and 62.2% in International Falls, MN, demonstrating the broader applicability of the proposed methodology across different climate zones. This work highlights the importance of robust PCM-HX models in enabling accurate and computationally efficient building-level simulations and enabling future research opportunities for investigating optimized HP-TES designs and advanced control strategies for grid-interactive buildings.

Modelica↗

Nearly optimal state preparation for quantum simulations of lattice gauge theories

Here, we present several improvements to the recently developed ground-state preparation algorithm based on the quantum eigenvalue transformation for unitary matrices (QETU), apply this algorithm to a lattice formulation of U(1) gauge theory in (2+1) dimensions, as well as propose an alternative application of QETU, a highly efficient preparation of Gaussian distributions. The QETU technique was originally proposed as an algorithm for nearly optimal ground-state preparation and ground-state energy estimation on early fault-tolerant devices. It uses the time-evolution input model, which can potentially overcome the large overall prefactor in the asymptotic gate cost arising in similar algorithms based on the Hamiltonian input model. We present modifications to the original QETU algorithm that significantly reduce the cost for the cases of both exact and Trotterized implementation of the time evolution circuit. We use QETU to prepare the ground state of a U(1) lattice gauge theory in two spatial dimensions, explore the dependence of computational resources on the desired precision and system parameters, and discuss the applicability of our results to general lattice gauge theories. We also demonstrate how the QETU technique can be utilized for preparing Gaussian distributions and wave packets in a way which outperforms existing algorithms for as little as n q ≳ 2–5 qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantitative approaches for multiscale structural analysis with atomic resolution electron microscopy

Atomic-resolution imaging with scanning transmission electron microscopy is a powerful tool for characterizing the nanoscale structure of materials, in particular features such as defects, local strains, and symmetry-breaking distortions. In addition to advanced instrumentation, the effectiveness of the technique depends on computational image analysis to extract meaningful features from complex datasets recorded in experiments, which can be complicated by the presence of noise and artifacts, small or overlapping features, and the need to scale analysis over large representative areas. Here, we present image analysis approaches which synergize real and reciprocal space information to efficiently and reliably obtain meaningful structural information with picometer scale precision across hundreds of nanometers of material from atomic-resolution electron microscope images. Damping superstructure peaks in reciprocal space allows symmetry-breaking structural distortions to be disentangled from other sources of inhomogeneity and measured with high precision. Real-space fitting of the wavelike signals resulting from Fourier filtering enables absolute quantification of lattice parameter variations and strain, as well as the uncertainty associated with these measurements. Implementations of these algorithms are made available as an open source python package.

36 MATERIALS SCIENCE↗

The Fluid Dynamics Uncertainty Quantification Challenge Problem: XFOIL vs. MFOIL

Uncertainty quantification (UQ) has become more critical in aerospace engineering due to the growing dependence on computational tools for design optimization and performance analyses of aerospace vehicles. Even though the significance of UQ in assessing the credibility of computational analyses is well recognized, its costs and complexity impede its integration into standard practices, particularly in computational fluid dynamics (CFD) and other fluid analyses. This paper presents a UQ study for low-fidelity computational aerodynamics analyses with XFOIL and mfoil (i.e., the MATLAB version of XFOIL with several implementation modifications); these tools are utilized widely in both research and education. The main contributions of this paper are as follows: 1) improved precision in quantifying the uncertainty of the baseline Monte Carlo results used to benchmark surrogate modeling techniques for UQ, 2) quantification of the effect of the implementation differences between XFOIL and mfoil on solution quantities of interest (QoIs), such as lift and pitching moment coefficients, and 3) development of an open-source UQ library for use with XFOIL and mfoil, which has educational values and helps promote UQ for fluid analyses with aerospace applications. Results and discussions revolve around cases 1-4 of the challenge problem posed by the AIAA Fluid Dynamics Technical Committee’s Uncertainty Quantification Discussion Group (UQDG). In case 3, this work employs CFDverify, an open-source solution verification software, to quantify the discretization error and evaluate the extrapolated QoIs based on the grid convergence index (GCI). This UQ study differentiates itself from previous studies in the rigor of handling baseline Monte Carlo uncertainty and in including mfoil, which is a more accessible alternative to XFOIL. Finally, despite the growing computing power, low-fidelity computational tools remain valuable, such as for aerodynamic shape optimization at Mach numbers below 0.65 and low-to-mid Reynolds numbers.

Lay, Aidan S [University of Tennessee, Knoxville (↗

Dynamical models of novae.

Nova outburst dynamics investigation by time dependent hydrodynamics computer program including energy transport by radiation and convection

Sparks, W. M.↗

A proposed experimental method for interpreting Doppler effect measurements and determining their precision

The principal problem in the measurement of the Doppler reactivity effect is separating it from the thermal reactivity effects of the expansion of the heated sample. It is shown in this proposal that the thermal effects of sample expansion can be experimentally determined by making additional measurements with porous samples having the same mass and/or volume as the primary sample. By combining these results with independent measurements of the linear temperature coefficient and the computed temperature dependence of the Doppler coefficient the magnitude of the Doppler coefficient may be extracted from the data. These addiational measurements are also useful to experimentally determine the precision of the reactivity oscillator technique used to measure the reactivity effects of the heated sample.

Klann, P. G.↗

An experimental and numerical investigation of shock wave induced turbulent boundary layer separation at hypersonic speeds

A thoroughly documented experiment is reported that was specifically designed to test and guide computations of the interaction of an impinging shock wave with a turbulent boundary layer. Detailed mean flow field and surface data are presented for two shock strengths which resulted in attached and separated flows, respectively. Numerical computations are used to illustrate the dependence of the computations on the particulars of the turbulence models. Models appropriate for zero pressure gradient flows predicted the overall features of the flow fields, but were deficient in predicting many of the details of the interaction regions. Improvements to the turbulence model parameters were sought through a combination of detailed data analysis and computer simulations which tested the sensitivity of the solutions to model parameter changes. Computer simulations using these improvements are presented and discussed.

Marvin, J. G.↗

Dynamic acoustics for the STAR-100

An algorithm is described to compute time dependent acoustic waves in a jet. The method differs from previous methods in that no harmonic time dependence is assumed, thus permitting the study of nonharmonic acoustical behavior. Large grids are required to resolve the acoustic waves. Since the problem is nonstiff, explicit high order schemes can be used. These have been adapted to the STAR-100 with great efficiencies and permitted the efficient solution of problems which would not be feasible on a scalar machine.

Bayliss, A.↗