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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Hierarchical Distributed Optimal Power Flow of HV and MV Distribution Networks With Continuous and Discrete Devices

With large-scale distributed photovoltaics (PVs) being integrated into distribution networks (DNs), coordinated optimal power flow (OPF) of high voltage (HV) and medium voltage (MV) DNs should be investigated to optimally dispatch the distributed PVs and other network devices. Here, this paper presents a hierarchical distributed OPF method for HV and MV DNs with on-load tap changers, reactive power compensators, feeder switches and distributed PVs. A hierarchical master-slave control architecture is applied to implement coordinated OPF of two-layer DNs. The HV master problem and MV subproblems are transformed into mixed-integer convex problems respectively with second order cone programming and LinDistFlow approximation. Since there is no efficient distributed algorithm to solve such OPF models with integer subproblems, a novel distributed algorithm is proposed in this paper to efficiently solve the hierarchical coordinated OPF model with integer subproblems in a distributed manner. In the proposed algorithm, the coordinated OPF model is solved in a branch-and-bound framework, where in each branch node generalized Benders decomposition (GBD) algorithm is applied to decompose the coordinated OPF model into a master problem and relaxed subproblems and solves them iteratively to get optimal solution. The GBD optimal and feasible cutting planes generated in a branch node are proved to be valid for its descendants. Moreover, three acceleration techniques are introduced into the proposed algorithm to improve computational efficiency. Finally, the effectiveness and accuracy of the proposed method are verified via simulation tests in Jinzhai DNs of China.

42 ENGINEERING↗
DOE OSTI2021

Oxidation and pyrolysis of methyl propyl ether

The ignition, oxidation, and pyrolysis chemistry of methyl propyl ether (MPE) was probed experimentally at several different conditions, and a comprehensive chemical kinetic model was constructed to help understand the observations, with many of the key parameters computed using quantum chemistry and transition state theory. Experiments were carried out in a shock tube measuring time variation of CO concentrations, in a flow tube measuring product concentrations, and in a rapid compression machine (RCM) measuring ignition delay times. The detailed reaction mechanism was constructed using the Reaction Mechanism Generator software. Sensitivity and flux analyses were used to identify key rate and thermochemical parameters, which were then computed using quantum chemistry to improve the mechanism. Validation of the final model against the 1-20 bar 600-1500 K experimental data is presented with a discussion of the kinetics. The model is in excellent agreement with most of the shock tube and RCM data. Strong non-monotonic variation in conversion and product distribution is observed in the flow-tube experiments as the temperature is increased, and unusually strong pressure dependence and significant heat release during the compression stroke is observed in the RCM experiments. These observations are largely explained by a close competition between radical decomposition and addition to O2 at different sites in MPE; this causes small shifts in conditions to lead to big shifts in the dominant reaction pathways. The validated mechanism was used to study the chemistry occurring during ignition in a diesel engine, simulated using Ignition Quality Test (IQT) conditions. At the IQT conditions, where the MPE concentration is higher, bimolecular reactions of peroxy radicals are much more important than in the RCM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Parallelized modelling and solution scheme for hierarchically scaled simulations

This two-part paper presents the results of a benchmarked analytical-numerical investigation into the operational characteristics of a unified parallel processing strategy for implicit fluid mechanics formulations. This hierarchical poly tree (HPT) strategy is based on multilevel substructural decomposition. The Tree morphology is chosen to minimize memory, communications and computational effort. The methodology is general enough to apply to existing finite difference (FD), finite element (FEM), finite volume (FV) or spectral element (SE) based computer programs without an extensive rewrite of code. In addition to finding large reductions in memory, communications, and computational effort associated with a parallel computing environment, substantial reductions are generated in the sequential mode of application. Such improvements grow with increasing problem size. Along with a theoretical development of general 2-D and 3-D HPT, several techniques for expanding the problem size that the current generation of computers are capable of solving, are presented and discussed. Among these techniques are several interpolative reduction methods. It was found that by combining several of these techniques that a relatively small interpolative reduction resulted in substantial performance gains. Several other unique features/benefits are discussed in this paper. Along with Part 1's theoretical development, Part 2 presents a numerical approach to the HPT along with four prototype CFD applications. These demonstrate the potential of the HPT strategy.

Padovan, Joe↗
NASA NTRS2009

A Framework for Parallel Unstructured Grid Generation for Complex Aerodynamic Simulations

A framework for parallel unstructured grid generation targeting both shared memory multi-processors and distributed memory architectures is presented. The two fundamental building-blocks of the framework consist of: (1) the Advancing-Partition (AP) method used for domain decomposition and (2) the Advancing Front (AF) method used for mesh generation. Starting from the surface mesh of the computational domain, the AP method is applied recursively to generate a set of sub-domains. Next, the sub-domains are meshed in parallel using the AF method. The recursive nature of domain decomposition naturally maps to a divide-and-conquer algorithm which exhibits inherent parallelism. For the parallel implementation, the Master/Worker pattern is employed to dynamically balance the varying workloads of each task on the set of available CPUs. Performance results by this approach are presented and discussed in detail as well as future work and improvements.

Zagaris, George↗
DOE OSTI2023

Collective neutrino oscillations on a quantum computer with hybrid quantum-classical algorithm

We simulate the time evolution of collective neutrino oscillations in two-flavor settings on a quantum computer. We explore the generalization of Trotter-Suzuki approximation to time-dependent Hamiltonian dynamics. The trotterization steps are further optimized using the Cartan decomposition of two-qubit unitary gates U ϵ SU(4) in the minimum number of controlled-NOT (CNOT) gates making the algorithm more resilient to the hardware noise. As a result, a more efficient hybrid quantum-classical algorithm is also explored to solve the problem on noisy intermediate-scale quantum devices.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Mitigating municipal solid waste fouling in biofuel conversion via screw surface modifications

Here, municipal solid waste (MSW)'s 40–60 % carbon content makes it a feedstock for biofuel production via pyrolysis. One challenge in the conversion process is MSW fouling due to thermal decomposition. The accumulated deposit on the injection screw often leads to plugging and constriction. This study examined the morphology and composition of the MSW fouling deposit and conducted a thermal simulation to understand the temperature gradience of the injection screw. Surface modifications including smoothening and anti-adhesion coating were proposed for the injection screw to address the deposit problem. For evaluating the candidate mitigations, a bench-scale fouling test was developed with the gas environment, temperature, and sliding speed relevant to the contact interface between the MSW particles and the screw. Results suggested that a smoother screw surface could reduce the grip and a non-metallic coating with a lower surface energy could decrease adhesion, consequently leading to less fouling. Specifically, reducing the roughness from 2 to 0.6 and then to 0.2 μm proportionally decreased the amount of deposit, and the diamond-like-carbon, CrN, and NiCr–CrC composite coatings effectively hindered the fouling process. This study provides fundamental insights into the MSW fouling and proof-of-concept of potential mitigations through the screw surface modification.

09 BIOMASS FUELS↗
NASA NTRS1989

Algorithmic considerations of integrated design for CSI on a hypercube architecture

An approach is presented to the integrated design problem for actively controlled large, flexible mechanical systems for which Control Structure Interaction (CSI) problems are of concern. The two coupled design problems were identified as the optimal Structural Design problem the optimal Controller Design problem. These two problems can be addressed within a decision making loop that would consider each separately, and then sequentially analyze the effects of one on the other. Embedded in such a loop would be the simulation and coordination tasks as part of the decision tools required in a total (software) package. All of the above are compute-intensive tasks. In any such task, possible decompositions and gains due to the inherent parallelism have to be exploited. The problems under consideration, as applied to large flexible mechanical structures, are particularly suited to be mapped onto multicomputer systems in a hypercube topology.

Oezguener, UE.↗
NASA NTRS1994

Global-scale modes of surface temperature variability on interannual to century timescales

Using 100 years of global temperature anomaly data, we have performed a singluar value decomposition of temperature variations in narrow frequency bands to isolate coherent spatio-temporal modes of global climate variability. Statistical significance is determined from confidence limits obtained by Monte Carlo simulations. Secular variance is dominated by a globally coherent trend; with nearly all grid points warming in phase at varying amplitude. A smaller, but significant, share of the secular variance corresponds to a pattern dominated by warming and subsequent cooling in the high latitude North Atlantic with a roughly centennial timescale. Spatial patterns associated with significant peaks in variance within a broad period range from 2.8 to 5.7 years exhibit characteristic El Nino-Southern Oscillation (ENSO) patterns. A recent transition to a regime of higher ENSO frequency is suggested by our analysis. An interdecadal mode in the 15-to-18 years period and a mode centered at 7-to-8 years period both exhibit predominantly a North Atlantic Oscillation (NAO) temperature pattern. A potentially significant decadal mode centered on 11-to-12 years period also exhibits an NAO temperature pattern and may be modulated by the century-scale North Atlantic variability.

Mann, Michael E.↗
NASA NTRS2002

Phase-Field Methods for Structure Evolution in Sheared Multiphase Systems

A homogeneous disordered phase separates into ordered structures when quenched into a broken-symmetry phase. The competition of broken-symmetry phases to select an equilibrium state may be studied in terms of coarse-grained order parameters described by a suitable Landau free-energy function. A network of equilibrium-phase domains develops on quenching and coarsens with time with a topology that may be controlled by shear. We use three-dimensional simulations, in which time-dependent models for conserved-order parameters coupled to Navier-Stokes fluid models are solved, to investigate the evolution of such domains, e.g. spinodal decompositions of polymeric materials under shear. The numerical problems are formidable because of the strong nonlinearities inherent in the coupled model, and these are amongst the first 3D calculations undertaken. In linear shear fields we find stable nanostrings, also recently seen in experiments. The affinity of the ordered phases to boundaries plays a role in the form of the structures that develop, with stacked plate-like phase distributions emerging under certain conditions. Such methods appear quite promising for design and analysis of multiphase and complex fluid formulations. The behavior of foams in such conditions is of particular interest in microgravity environments. Additional information can be found in the original extended abstract.

Badalassi, Vittorio↗
NASA NTRS2022

Reliability-Aware Requirements Development for Autonomy Software

Autonomy is the ability of a system to make decisions and take actions in the presence of uncertainty. Validating autonomy, therefore, is a matter of validating that the system makes intelligent decisions even when there might be discrepancies between the observed and the expected state of the world as well as when the possible outcome of each of the possible courses of action is uncertain. During the requirements engineering phase, the functions, including those that are required to be autonomous and their expected behavior are specified. However, in the case of autonomous software system, it is challenging to specify all possible scenarios that the software may encounter. Additionally, since autonomous behaviors cannot always be fully predetermined, it is difficult to reason about their completeness and correctness. While these challenges are also faced with non-autonomous system, they are more prevalent for autonomous system due to their complexity and emergent behavior. Our efforts have been three-fold. On one hand, we have developed a goal-based method for requirements decomposition. We have embedded this approach into a higher-level systems engineering framework and then developed methods for decision and reliability analysis within this framework. And finally, we use simulation analysis to validate the more theoretical methods and provide a feedback mechanism. The decision analysis approach (DA) helps in identifying and mitigating the run-time risks, by bringing to the forefront the uncertainties, decisions, interactions, and other factors that may cause autonomous software to make erroneous decisions. The DA framework is used to quantify, for each decision that the software can make, failure risk due to uncertainties. The information about the key decisions and circumstances that can cause autonomous system to make incorrect decisions are used to generate test scenarios to be run in a simulator to ensure that the system can handle error-prone circumstances. The results or outcomes from decisions, based on the simulated scenarios, can then be leveraged to further gain insight of the assured system. We combine a goal-based approach with simulation analysis to facilitate requirements development for autonomous systems and further provide a method for run-time systems level reliability considerations during the autonomous software development process. The DA and the reliability analysis methods provide a formalism for the consideration of uncertainty in the run time decision-making process for autonomous software. This formalism considers the uncertainty involved in the outcome of different courses of action, in terms of performance and cost, as well as a method to consider the system level reliability implications. System level reliability considerations for autonomous software decision making contribute to the satisfaction of the system level goals over the lifecycle of a given mission. We demonstrate our approach using a hypothetical rover path planning example. The requirements for our rover simulator are based on existing literature about Mars rovers and lessons learned from real world observations at JPL. The specifics of the autonomy design for the Mars rovers, that have not been previously cleared for external release, are not used for our demonstrations.

Lindvall, Mikael↗
NASA NTRS1996

High-Performance Parallel Analysis of Coupled Problems for Aircraft Propulsion

This research program dealt with the application of high-performance computing methods to the numerical simulation of complete jet engines. The program was initiated in January 1993 by applying two-dimensional parallel aeroelastic codes to the interior gas flow problem of a bypass jet engine. The fluid mesh generation, domain decomposition and solution capabilities were successfully tested. Attention was then focused on methodology for the partitioned analysis of the interaction of the gas flow with a flexible structure and with the fluid mesh motion driven by these structural displacements. The latter is treated by a ALE technique that models the fluid mesh motion as that of a fictitious mechanical network laid along the edges of near-field fluid elements. New partitioned analysis procedures to treat this coupled three-component problem were developed during 1994 and 1995. These procedures involved delayed corrections and subcycling, and have been successfully tested on several massively parallel computers, including the iPSC-860, Paragon XP/S and the IBM SP2. For the global steady-state axisymmetric analysis of a complete engine we have decided to use the NASA-sponsored ENG10 program, which uses a regular FV-multiblock-grid discretization in conjunction with circumferential averaging to include effects of blade forces, loss, combustor heat addition, blockage, bleeds and convective mixing. A load-balancing preprocessor tor parallel versions of ENG10 was developed. During 1995 and 1996 we developed the capability tor the first full 3D aeroelastic simulation of a multirow engine stage. This capability was tested on the IBM SP2 parallel supercomputer at NASA Ames. Benchmark results were presented at the 1196 Computational Aeroscience meeting.

Felippa, C. A.↗
NASA NTRS2004

A Simulation Model of Carbon Cycling and Methane Emissions in Amazon Wetlands

An integrative carbon study is investigating the hypothesis that measured fluxes of methane from wetlands in the Amazon region can be predicted accurately using a combination of process modeling of ecosystem carbon cycles and remote sensing of regional floodplain dynamics. A new simulation model has been build using the NASA- CASA concept for predicting methane production and emission fluxes in Amazon river and floodplain ecosystems. Numerous innovations area being made to model Amazon wetland ecosystems, including: (1) prediction of wetland net primary production (NPP) as the source for plant litter decomposition and accumulation of sediment organic matter in two major vegetation classes - flooded forests (varzea or igapo) and floating macrophytes, (2) representation of controls on carbon processing and methane evasion at the diffusive boundary layer, through the lake water column, and in wetland sediments as a function of changes in floodplain water level, (3) inclusion of surface emissions controls on wetland methane fluxes, including variations in daily surface temperature and of hydrostatic pressure linked to water level fluctuations. A model design overview and early simulation results are presented.

Potter, Christopher↗
NASA NTRSDate not supplied

Effect of Aromaticity on Soot Formation: A Reactive Molecular Dynamics Study

This study investigates the formation of soot from n-dodecane and its blend with m-xylene under pyrolytic and low-oxygen conditions with reactive molecular dynamics (MD) simulations. ReaxFF force field is used to simulate the interactions of fuel and oxygen molecules at engine-relevant conditions (2500-3500 K and 70-75 bar). Fuel molecules with carbon atom density of 0.03 g/cm 3 are dispersed into a cube and constant temperature simulations are carried out with a Nosé-Hoover thermostat. Pyrolysis of n-dodecane and the chemical pathway towards the formation of aromatic hydrocarbons are investigated. The initial pyrolysis rate of n-dodecane is observed to be slightly higher with the addition of aromatic compounds and oxygen. While the first aromatics formed from the decomposed n-dodecane are phenyl radicals at 2500 K, decomposition of the aliphatic fuel compound is observed to be necessary to build a carbon cluster, and eventually soot. Morphological properties of the created soot particles are also analyzed. The maturity, size and aromatics content of the soot particle are slightly affected with the addition of m-xylene and oxygen at 3500 K within the 3 ns simulation time possibly due the formation of larger and more condensed aromatic rings, resulting in larger soot molecules. The outcomes of this study provide important insights into the formation mechanism of soot and its morphological characteristics depending on varying fuel concentrations at pyrolysis and low oxygen engine conditions. Results of this analysis will further contribute to the understanding of contrail formation on generated soot particles originated from the combustion of different chemical components with particle chemistry matching companion experiments.

soot formation↗
DOE OSTI2020

Effect of transport mechanism on the coarsening of bicontinuous structures: A comparison between bulk and surface diffusion

Here, coarsening of bicontinuous microstructures is observed in a variety of systems, such as nanoporous metals and mixtures that have undergone spinodal decomposition. To better understand the morphological evolution of these structures during coarsening, we compare the morphologies resulting from two different coarsening mechanisms, surface and bulk diffusion. We perform phase-field simulations of coarsening via each mechanism in a two-phase mixture at nominal volume fractions of 50%-50% and 36%-64%, and the simulated structures are characterized in terms of topology (genus density), the interfacial shape distribution, structure factor, and autocorrelations of phase and mean curvature. We observe self-similar evolution of morphology and topology and agreement with the expected power laws for dynamic scaling, in which the characteristic length scale increases over time proportionally to t 1/4 for surface diffusion and t 1/3 for bulk diffusion. While we observe the expected difference in the coarsening kinetics, we find that differences in self-similar morphology due to coarsening mechanism are relatively small, although typically they are larger at 36% volume fraction than at 50% volume fraction. In particular, we find that bicontinuous structures coarsened via surface diffusion have lower scaled genus densities than structures coarsened via bulk diffusion. We also compare the self-similar morphologies to those in literature and to two model bicontinuous structures, namely, constant-mean-curvature surfaces based on the Schoen G minimal surface and random leveled-wave structures. The average scaled mean curvatures of these model structures agree reasonably with those of the coarsened structures at both 36% and 50%, but we find substantial disagreements in the scaled genus densities and the standard deviations of mean curvature.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Phase Transformation of Thermally Aged and Neutron Irradiated Duplex Stainless Steel Used in LWRs. Final report

The lifetime of reactor components made of duplex stainless steels can be limited by the embrittlement from thermal aging, neutron irradiation or a synergistic effect between thermal aging and neutron irradiation. There is still a large scientific knowledge gap in understanding the phase evolution in duplex stainless steels upon thermal aging with or without neutron irradiation, the synergistic effect between thermal aging and neutron irradiation, and the impacts of structural evolution on material mechanical responses. In this project, totally, five major tasks were completed through this project: a) the in-situ WAXS tensile tests of thermally aged cast duplex stainless steels, b) the EXAFS investigation of thermally aged cast austenitic stainless steel and welds of austenite sainless steel, c) the characterization of irradiation effect on neutron irradiated CASS using APT, d) characterize the ferrite hardening of neutron irradiated CASS using nanoindentation, and e) the FEM modelling to validate the in-situ WAXS tensile tests and to simulate the stress/strain distribution during deformation for thermally aged duplex stainless steel. In summary, the thermal aging without neutron irradiation can significantly increase the strength of ferrite phase through the spinodal decomposition and G-phase precipitations. The in-situ X-ray experiments show that the hardening effect in ferrite phase can significantly alter the load partition between the ferrite and austenite phases. Atom probe tomography characterizations on samples irradiated to 0.08, 3, 5, 10, 20, and 40 dpa shows that neutron irradiation has dominated the microstructural evolution after 3 dpa, and the spinodal decomposition has saturated yet even at 40 dpa based on the quantified wavelength and amplitude.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2004

An Integrated Centroid Finding and Particle Overlap Decomposition Algorithm for Stereo Imaging Velocimetry

An integrated algorithm for decomposing overlapping particle images (multi-particle objects) along with determining each object s constituent particle centroid(s) has been developed using image analysis techniques. The centroid finding algorithm uses a modified eight-direction search method for finding the perimeter of any enclosed object. The centroid is calculated using the intensity-weighted center of mass of the object. The overlap decomposition algorithm further analyzes the object data and breaks it down into its constituent particle centroid(s). This is accomplished with an artificial neural network, feature based technique and provides an efficient way of decomposing overlapping particles. Combining the centroid finding and overlap decomposition routines into a single algorithm allows us to accurately predict the error associated with finding the centroid(s) of particles in our experiments. This algorithm has been tested using real, simulated, and synthetic data and the results are presented and discussed.

McDowell, Mark↗
NASA NTRSDate not supplied

Novel Turbulence Model Tailored for Complex Rocket Motor Exhaust Jets

This paper describes a new RANS turbulence model intended to give improved accuracy in turbulence that is affected by compressibility, rotation and curvature, and variable density, making it well-suited to complex rocket motor exhaust jets. Four key elements of the model are: the use of simple-averaged (not mass-averaged) turbulence decomposition; a second-order Taylor series for the equilibrated turbulent fluxes; empirical modeling that accounts for the combined effects of aforementioned turbulence modifiers; and model tuning on large-eddy simulation data for mixing layers for a wide range of these turbulence modifiers. The model is implemented as an extension of the k-w SST model. Results include comparisons to detached eddy simulation results for hot and cold co-flowing exhaust jets, and to experimental data for supersonic retropropulsion on the CobraMRV Mars-lander concept vehicle. The model is named TMRC for its constituents elements, the Taylor series with Mach number, rotation and curvature effects.

turbulence modeling↗
NASA NTRS2024

Enabling the Assimilation of CrIS Shortwave Infrared Observations in Global NWP at NOAA. Part I: Background and Methods

Radiance observations from Earth-observing satellites have a significant positive impact on numerical weather prediction (NWP) forecasts, but some spectral regions are not fully exploited. Observations from hyperspectral infrared (IR) sounders in the longwave region (650-1100 cm -1 ), for instance, are routinely assimilated in many NWP models, but observations in the shortwave region (2155-2550 cm -1 ) are not. Each of these regions provides information on the temperature structure of the atmosphere, but the shortwave IR (SWIR) region is considered challenging to assimilate due to noise equivalent delta temperature (NEDT) that is highly variable depending on scene brightness temperature and to phenomena that are difficult to model, like non-Local Thermodynamic Equilibrium (NLTE) and solar reflectance. With recent advances in small-satellite technology, SWIR temperature sounders may provide an agile and cost-effective complement to the current constellation of IR sounders. Therefore, a better understanding of the use and impact of SWIR observations in data assimilation for NWP is warranted. In part one of this study, as presented here, the amount of unique information (as determined by Empirical Orthogonal Decomposition (EOD)) made available to a data assimilation system by Cross-track Infrared Sounder (CrIS) SWIR observations is reviewed, recent advancements to the Community Radiative Transfer Model (CRTM) for the simulation of CrIS shortwave radiances are tested, and enhancements to NOAA’s Global Data Assimilation System (GDAS) for the assimilation of CrIS SWIR observations are implemented and evaluated. Part two of this study, which seeks to assess the value of assimilating shortwave IR observations in global NWP, is also introduced.

Erin Jones↗