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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

Dynamic Snap-Through of Thin-Walled Structures by a Reduced Order Method

The goal of this investigation is to further develop nonlinear modal numerical simulation methods for application to geometrically nonlinear response of structures exposed to combined high intensity random pressure fluctuations and thermal loadings. The study is conducted on a flat aluminum beam, which permits a comparison of results obtained by a reduced-order analysis with those obtained from a numerically intensive simulation in physical degrees-of-freedom. A uniformly distributed thermal loading is first applied to investigate the dynamic instability associated with thermal buckling. A uniformly distributed random loading is added to investigate the combined thermal-acoustic response. In the latter case, three types of response characteristics are considered, namely: (i) small amplitude vibration around one of the two stable buckling equilibrium positions, (ii) intermittent snap-through response between the two equilibrium positions, and (iii) persistent snap-through response between the two equilibrium positions. For the reduced order analysis, four categories of modal basis functions are identified including those having symmetric transverse (ST), anti-symmetric transverse (AT), symmetric in-plane (SI), and anti-symmetric in-plane (AI) displacements. The effect of basis selection on the quality of results is investigated for the dynamic thermal buckling and combined thermal-acoustic response. It is found that despite symmetric geometry, loading, and boundary conditions, the AT and SI modes must be included in the basis as they participate in the snap-through behavior.

Przekop, Adam↗
NASA NTRS2007

Dynamic Snap-Through of Thermally Buckled Structures by a Reduced Order Method

The goal of this investigation is to further develop nonlinear modal numerical simulation methods for application to geometrically nonlinear response of structures exposed to combined high intensity random pressure fluctuations and thermal loadings. The study is conducted on a flat aluminum beam, which permits a comparison of results obtained by a reduced-order analysis with those obtained from a numerically intensive simulation in physical degrees-of-freedom. A uniformly distributed thermal loading is first applied to investigate the dynamic instability associated with thermal buckling. A uniformly distributed random loading is added to investigate the combined thermal-acoustic response. In the latter case, three types of response characteristics are considered, namely: (i) small amplitude vibration around one of the two stable buckling equilibrium positions, (ii) intermittent snap-through response between the two equilibrium positions, and (iii) persistent snap-through response between the two equilibrium positions. For the reduced-order analysis, four categories of modal basis functions are identified including those having symmetric transverse, anti-symmetric transverse, symmetric in-plane, and anti-symmetric in-plane displacements. The effect of basis selection on the quality of results is investigated for the dynamic thermal buckling and combined thermal-acoustic response. It is found that despite symmetric geometry, loading, and boundary conditions, the anti-symmetric transverse and symmetric in-plane modes must be included in the basis as they participate in the snap-through behavior.

Przekop, Adam↗
DOE OSTI2023

Quantitative Scanning Transmission Electron Microscopy for Materials Science: Imaging, Diffraction, Spectroscopy, and Tomography

Scanning transmission electron microscopy (STEM) is one of the most powerful characterization tools in materials science research. Due to instrumentation developments such as highly coherent electron sources, aberration correctors, and direct electron detectors, STEM experiments can examine the structure and properties of materials at length scales of functional devices and materials down to single atoms. STEM encompasses a wide array of flexible operating modes, including imaging, diffraction, spectroscopy, and 3D tomography experiments. This review outlines many common STEM experimental methods with a focus on quantitative data analysis and simulation methods, especially those enabled by open source software. The hope is to introduce both classic and new experimental methods to materials scientists and summarize recent progress in STEM characterization. The review also discusses the strengths and weaknesses of the various STEM methodologies and briefly considers promising future directions for quantitative STEM research.

36 MATERIALS SCIENCE↗
DOE OSTI2016

SU-F-T-507: Modeling Cerenkov Emissions From Medical Linear Accelerators: A Monte Carlo Study

Purpose: Cerenkov emissions are a natural byproduct of MV radiotherapy but are typically ignored as inconsequential. However, Cerenkov photons may be useful for activation of drugs such as psoralen. Here, we investigate Cerenkov radiation from common radiotherapy beams using Monte Carlo simulations. Methods: GAMOS, a GEANT4-based framework for Monte Carlo simulations, was used to model 6 and 18MV photon beams from a Varian medical linac. Simulations were run to track Cerenkov production from these beams when irradiating a 50cm radius sphere of water. Electron contamination was neglected. 2 million primary photon histories were run for each energy, and values scored included integral dose and total track length of Cerenkov photons between 100 and 400 nm wavelength. By lowering process energy thresholds, simulations included low energy Bremsstrahlung photons to ensure comprehensive evaluation of UV production in the medium. Results: For the same number of primary photons, UV Cerenkov production for 18MV was greater than 6MV by a factor of 3.72 as determined by total track length. The total integral dose was a factor of 2.31 greater for the 18MV beam. Bremsstrahlung photons were a negligibly small component of photons in the wavelength range of interest, comprising 0.02% of such photons. Conclusion: Cerenkov emissions in water are 1.6x greater for 18MV than 6MV for the same integral dose. Future work will expand the analysis to include optical properties of tissues, and to investigate strategies to maximize Cerenkov emission per unit dose for MV radiotherapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

An uncertainty visualization framework for large-scale cardiovascular flow simulations: A case study on aortic stenosis

We present a generalizable uncertainty quantification (UQ) and visualization framework for lattice Boltzmann method simulations of high Reynolds number vascular flows, demonstrated on a patient-specific stenosed aorta. The framework combines EasyVVUQ for parameter sampling with large-eddy simulation turbulence modeling in HemeLB, and executes ensembles on the Frontier exascale supercomputer. Spatially resolved metrics, including entropy and isosurface-crossing probability, are used to map uncertainty in pressure and wall shear stress fields directly onto vascular geometries. Two sources of model variability are examined: inlet peak velocity and the Smagorinsky constant. Inlet velocity variation produces high uncertainty downstream of the stenosis where turbulence develops, while upstream regions remain stable. Smagorinsky constant variation has little effect on the large-scale pressure field but increases WSS uncertainty in localized high-shear regions. In both cases, the stenotic throat manifests low entropy, indicative of robust identification of elevated WSS. By linking quantitative UQ measures to three-dimensional anatomy, the framework improves interpretability over conventional 1D UQ plots and supports clinically relevant decision-making, with broad applicability to vascular flow problems requiring both accuracy and spatial insight.

Hemodynamics↗
NASA NTRS1991

Analysis of vibrational-translational energy transfer using the direct simulation Monte Carlo method

A new model is proposed for energy transfer between the vibrational and translational modes for use in the direct simulation Monte Carlo method (DSMC). The model modifies the Landau-Teller theory for a harmonic oscillator and the rate transition is related to an experimental correlation for the vibrational relaxation time. Assessment of the model is made with respect to three different computations: relaxation in a heat bath, a one-dimensional shock wave, and hypersonic flow over a two-dimensional wedge. These studies verify that the model achieves detailed balance, and excellent agreement with experimental data is obtained in the shock wave calculation. The wedge flow computation reveals that the usual phenomenological method for simulating vibrational nonequilibrium in the DSMC technique predicts much higher vibrational temperatures in the wake region.

Boyd, Iain D.↗
DOE OSTI2014

FY10 Report on Multi-scale Simulation of Solvent Extraction Processes: Molecular-scale and Continuum-scale Studies

This task is aimed at predictive modeling of solvent extraction processes in typical extraction equipment through multiple simulation methods at various scales of resolution. We have conducted detailed continuum fluid dynamics simulation on the process unit level as well as simulations of the molecular-level physical interactions which govern extraction chemistry. Through combination of information gained through simulations at each of these two tiers along with advanced techniques such as the Lattice Boltzmann Method (LBM) which can bridge these two scales, we can develop the tools to work towards predictive simulation for solvent extraction on the equipment scale (Figure 1). The goal of such a tool-along with enabling optimized design and operation of extraction units-would be to allow prediction of stage extraction effrciency under specified conditions. Simulation efforts on each of the two scales will be described below. As the initial application of FELBM in the work performed during FYl0 has been on annular mixing it will be discussed in context of the continuum-scale. In the future, however, it is anticipated that the real value of FELBM will be in its use as a tool for sub-grid model development through highly refined DNS-like multiphase simulations facilitating exploration and development of droplet models including breakup and coalescence which will be needed for the large-scale simulations where droplet level physics cannot be resolved. In this area, it can have a significant advantage over traditional CFD methods as its high computational efficiency allows exploration of significantly greater physical detail especially as computational resources increase in the future.

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

Reinforcement Learning-Guided Long-Timescale Simulation of Hydrogen Transport in Metals

Diffusion in alloys is an important class of atomic processes. However, atomistic simulations of diffusion in chemically complex solids are confronted with the timescale problem: the accessible simulation time is usually far shorter than that of experimental interest. In this work, long-timescale simulation methods are developed using reinforcement learning (RL) that extends simulation capability to match the duration of experimental interest. Two special limits, RL transition kinetics simulator (TKS) and RL low-energy states sampler (LSS), are implemented and explained in detail, while the meaning of general RL are also discussed. As a testbed, hydrogen diffusivity is computed using RL TKS in pure metals and a medium entropy alloy, CrCoNi, and compared with experiments. The algorithm can produce counter-intuitive hydrogen-vacancy cooperative motion. We also demonstrate that RL LSS can accelerate the sampling of low-energy configurations compared to the Metropolis–Hastings algorithm, using hydrogen migration to copper (111) surface as an example.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Assessing Dynamic Behaviors in Converter- Dominated Power Systems via RMS and EMT Simulations: A Study of Hawaii’s NELHA Microgrid

The transition from conventional power systems to converter-based microgrids has significantly advanced sustainability, clean energy integration, and operational reliability. However, this paradigm shift introduces operational challenges due to the intermittent nature of renewable energy sources and the non-linear characteristics of power electronic loads, inducing voltage fluctuations and harmonic distortions that complicate voltage and frequency regulation. Accurate dynamic modeling is hypothesized to be critical for capturing such effects, enabling reliable simulation and control strategy development. This study introduces an innovative dynamic modeling framework for a real-world converter-based microgrid, utilizing both root mean square (RMS) and electromagnetic transient (EMT) simulation methods. The microgrid was modeled in DIgSILENT PowerFactory, with simulations calibrated against high-resolution field measurements from SEL-735 power quality meters. Results show that RMS simulations effectively characterize steady-state dynamics, while EMT simulations are essential for capturing high-frequency transients and non-linear effects from photovoltaic inverters and variable frequency drives (VFDs). This complementary approach provides a comprehensive understanding of microgrid behavior, providing critical insights for improving simulation accuracy, advancing protection schemes, and improving resilience in future low-inertia power networks.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

Inertial Response of Wind Power Plants: A Comparison of Frequency-Based Inertial Control and Stepwise Inertial Control

The frequency regulation capability of a wind power plant plays an important role in enhancing frequency reliability especially in an isolated power system with high wind power penetration levels. A comparison of two types of inertial control methods, namely frequency-based inertial control (FBIC) and stepwise inertial control (SIC), is presented in this paper. Comprehensive case studies are carried out to reveal features of the different inertial control methods, simulated in a modified Western System Coordination Council (WSCC) nine-bus power grid using real-time digital simulator (RTDS) platform. The simulation results provide an insight into the inertial control methods under various scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2019

Probabilistic Resource Adequacy Suite (PRAS)

The Probabilistic Resource Adequacy Suite (PRAS) provides an open-source, research-oriented collection of tools for analysing the resource adequacy of a bulk power system. The simulation methods offered support everything from classical convolution-based analytical techniques through to high-performance sequential Monte Carlo methods supporting multi-region composite reliability assessment, including simulation of energy-limited resources such as storage.

Stephen, Gord↗
NASA NTRS1976

Molecular beam mass spectrometer development

An analytical model, based on the kinetics theory of a drifting Maxwellian gas is used to determine the nonequilibrium molecular density distribution within a hemispherical shell open aft with its axis parallel to its velocity. The concept of a molecular shield in terrestrial orbit above 200 km is also analyzed using the kinetic theory of a drifting Maxwellian gas. Data are presented for the components of the gas density within the shield due to the free stream atmosphere, outgassing from the shield and enclosed experiments, and atmospheric gas scattered off a shield orbiter system. A description is given of a FORTRAN program for computating the three dimensional transition flow regime past the space shuttle orbiter that employs the Monte Carlo simulation method to model real flow by some thousands of simulated molecules.

Brock, F. J.↗
NASA NTRS1994

Composite Load Spectra for Select Space Propulsion Structural Components

Generic load models are described with multiple levels of progressive sophistication to simulate the composite (combined) load spectra (CLS) that are induced in space propulsion system components, representative of Space Shuttle Main Engines (SSME), such as transfer ducts, turbine blades and liquid oxygen (LOX) posts. These generic (coupled) models combine the deterministic models for composite load dynamic, acoustic, high-pressure and high rotational speed, etc., load simulation using statistically varying coefficients. These coefficients are then determined using advanced probabilistic simulation methods with and without strategically selected experimental data. The entire simulation process is included in a CLS computer code. Applications of the computer code to various components in conjunction with the PSAM (Probabilistic Structural Analysis Method) to perform probabilistic load evaluation and life prediction evaluations are also described to illustrate the effectiveness of the coupled model approach.

Ho, Hing W.↗
NASA NTRS1999

Space-Time Conservation Element and Solution Element Method Being Developed

The engineering research and design requirements of today pose great computer-simulation challenges to engineers and scientists who are called on to analyze phenomena in continuum mechanics. The future will bring even more daunting challenges, when increasingly complex phenomena must be analyzed with increased accuracy. Traditionally used numerical simulation methods have evolved to their present state by repeated incremental extensions to broaden their scope. They are reaching the limits of their applicability and will need to be radically revised, at the very least, to meet future simulation challenges. At the NASA Lewis Research Center, researchers have been developing a new numerical framework for solving conservation laws in continuum mechanics, namely, the Space-Time Conservation Element and Solution Element Method, or the CE/SE method. This method has been built from fundamentals and is not a modification of any previously existing method. It has been designed with generality, simplicity, robustness, and accuracy as cornerstones. The CE/SE method has thus far been applied in the fields of computational fluid dynamics, computational aeroacoustics, and computational electromagnetics. Computer programs based on the CE/SE method have been developed for calculating flows in one, two, and three spatial dimensions. Results have been obtained for numerous problems and phenomena, including various shock-tube problems, ZND detonation waves, an implosion and explosion problem, shocks over a forward-facing step, a blast wave discharging from a nozzle, various acoustic waves, and shock/acoustic-wave interactions. The method can clearly resolve shock/acoustic-wave interactions, wherein the difference of the magnitude between the acoustic wave and shock could be up to six orders. In two-dimensional flows, the reflected shock is as crisp as the leading shock. CE/SE schemes are currently being used for advanced applications to jet and fan noise prediction and to chemically reacting flows.

Chang, Sin-Chung↗
DOE OSTI2015

SU-E-T-313: Dosimetric Deviation of Misaligned Beams for a 6 MV Photon Linear Accelerator Using Monte Carlo Simulations

Purpose: To quantify the dosimetric variations of misaligned beams for a linear accelerator by using Monte Carlo (MC) simulations. Method and Materials: Misaligned beams of a Varian 21EX Clinac were simulated to estimate the dosimetric effects. All the linac head components for a 6 MV photon beam were implemented in BEAMnrc/EGSnrc system. For incident electron beam parameters, 6 MeV with 0.1 cm full-width-half-max Gaussian beam was used. A phase space file was obtained below the jaw per each misalignment condition of the incident electron beam: (1) The incident electron beams were tilted by 0.5, 1.0 and 1.5 degrees on the x-axis from the central axis. (2) The center of the incident electron beam was off-axially moved toward +x-axis by 0.1, 0.2, and 0.3 cm away from the central axis. Lateral profiles for each misaligned beam condition were acquired at dmax = 1.5 cm and 10 cm depth in a rectangular water phantom. Beam flatness and symmetry were calculated by using the lateral profile data. Results: The lateral profiles were found to be skewed opposite to the angle of the incident beam for the tilted beams. For the displaced beams, similar skewed lateral profiles were obtained with small shifts of penumbra on the +x-axis. The variations of beam flatness were 3.89–11.18% and 4.12–42.57% for the tilted beam and the translated beam, respectively. The beam symmetry was separately found to be 2.95 −9.93% and 2.55–38.06% separately. It was found that the percent increase of the flatness and the symmetry values are approximated 2 to 3% per 0.5 degree tilt or per 1 mm displacement. Conclusion: This study quantified the dosimetric effects of misaligned beams using MC simulations. The results would be useful to understand the magnitude of the dosimetric deviations for the misaligned beams.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2005

Computational Simulations and the Scientific Method

As scientific simulation software becomes more complicated, the scientific-software implementor's need for component tests from new model developers becomes more crucial. The community's ability to follow the basic premise of the Scientific Method requires independently repeatable experiments, and model innovators are in the best position to create these test fixtures. Scientific software developers also need to quickly judge the value of the new model, i.e., its cost-to-benefit ratio in terms of gains provided by the new model and implementation risks such as cost, time, and quality. This paper asks two questions. The first is whether other scientific software developers would find published component tests useful, and the second is whether model innovators think publishing test fixtures is a feasible approach.

Kleb, Bil↗
DOE OSTI2015

A practical discrete-adjoint method for high-fidelity compressible turbulence simulations

Methods and computing hardware advances have enabled accurate predictions of complex compressible turbulence phenomena, such as the generation of jet noise that motivates the present effort. However, limited understanding of underlying physical mechanisms restricts the utility of such predictions since they do not, by themselves, indicate a route to design improvements. Gradient-based optimization using adjoints can circumvent the flow complexity to guide designs, though this is predicated on the availability of a sufficiently accurate solution of the forward and adjoint systems. These are challenging to obtain, since both the chaotic character of the turbulence and the typical use of discretizations near their resolution limits in order to efficiently represent its smaller scales will amplify any approximation errors made in the adjoint formulation. Formulating a practical exact adjoint that avoids such errors is especially challenging if it is to be compatible with state-of-the-art simulation methods used for the turbulent flow itself. Automatic differentiation (AD) can provide code to calculate a nominally exact adjoint, but existing general-purpose AD codes are inefficient to the point of being prohibitive for large-scale turbulence simulations. Here, we analyze the compressible flow equations as discretized using the same high-order workhorse methods used for many high-fidelity compressible turbulence simulations, and formulate a practical space–time discrete-adjoint method without changing the basic discretization. A key step is the definition of a particular discrete analog of the continuous norm that defines our cost functional; our selection leads directly to an efficient Runge–Kutta-like scheme, though it would be just first-order accurate if used outside the adjoint formulation for time integration, with finite-difference spatial operators for the adjoint system. Its computational cost only modestly exceeds that of the flow equations. We confirm that its accuracy is limited by computing precision, and we demonstrate it on the aeroacoustic control of a mixing layer with a challengingly broad range of turbulence scales. For comparison, the error from a corresponding discretization of the continuous-adjoint equations is quantified to potentially explain its limited success in past efforts to control jet noise. The differences are illuminating: the continuous-adjoint is shown to suffer from exponential error growth in (reverse) time even for the best-resolved largest turbulence scales. Implications for jet noise reduction and turbulence control in general are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

SU-G-TeP1-03: Beam Quality Correction Factors for Linear Accelerator with and Without Flattening Filter

Purpose: The impact of removing the flattening filter on absolute dosimetry based on IAEA’s TPR-398 and AAPM’s TG-51 was investigated in this study using Monte Carlo simulations. Methods: The EGSnrc software package was used for all Monte Carlo simulations performed in this work. Five different ionization chambers and nine linear accelerator heads have been modeled according to technical drawings. To generate a flattening filter free radiation field the flattening filter was replaced by a 2 mm thick aluminum layer. Dose calculation in a water phantom were performed to calculate the beam quality correction factor k{sub Q} as a function of the beam quality specifiers %dd(10){sub x}, TPR{sub 20,10} and mean photon and electron energies at the point of measurement in photon fields with (WFF) and without flattening filter (FFF). Results: The beam quality correction factor as a function of %dd(10){sub x} differs systematically between FFF and WFF beams for all investigated ionization chambers. The largest difference of 1.8% was observed for the largest investigated Farmer-type ionization chamber with a sensitive volume of 0.69 cm{sup 3}. For ionization chambers with a smaller nominal sensitive volume (0.015 – 0.3 cm{sup 3}) the deviation was less than 0.4% between WFF and FFF beams for %dd(10){sub x} > 62%. The specifier TPR{sub 20,10} revealed only a good correlation between WFF and FFF beams (< 0.3%) for low energies. Conclusion: The results confirm that %dd(10){sub x} is a suitable beam quality specifier for FFF beams with an acceptable bias. The deviation depends on the volume of the ionization chamber. Using %dd(10){sub x} to predict k{sub Q} for a large volume chamber in a FFF photon field may lead to not acceptable errors according to the results of this study. This bias may be caused by the volume effect due to the inhomogeneous photon fields of FFF linear accelerators.

60 APPLIED LIFE SCIENCES↗