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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Three-dimensional dynamics of scientific balloon systems in response to sudden gust loadings

A mathematical model was developed of the three-dimensional dynamics of a high-altitude scientific research balloon system perturbed from its equilibrium configuration by an arbitrary gust loading. The platform is modelled as a system of four coupled pendula, and the equations of motion were developed in the Lagrangian formalism assuming a small-angle approximation. Three-dimensional pendulation, torsion, and precessional motion due to Coriolis forces are considered. Aerodynamic and viscous damping effects on the pendulatory and torsional motions are included. A general model of the gust field incident upon the balloon system was developed. The digital computer simulation program is described, and a guide to its use is given.

Dorsey, D. R., Jr.↗
NASA NTRS1993

Modeling of Non-Spherical Droplet Dynamics

A two-dimensional time-dependent computer code based on the modified Arbitrary Lagrangian Eulerian (ALE) technique, has been developed to simulate non-spherical droplet dynamics and evaporation under convective flows at real rocket combustion chamber conditions. The equations of mass, momentum, energy and species are simultaneously solved for both liquid and gas phases with an accurate dynamic interface tracking. The jump boundary conditions across the deforming droplet surface are obtained by applying the integral forms of conservation of mass, momentum, and energy. At each time step, the interface geometry and flow properties at the droplet surface are implicitly solved by satisfying the interface boundary conditions. A Lagrangian technique was developed to track the arbitrarily moving interface between the liquid droplet and the external gas. An elliptic grid generator is adopted to dynamically reconstruct grids both inside and outside the droplet surface. This code has been used to study droplet oscillation, droplet deformation/breakup, nonspherical droplet evaporation in both low and high pressure convective flows. This presentation briefly describes the numerical algorithm for modeling of the nonspherical droplet dynamics and demonstrates the representative simulation results of nonspherical droplet evaporation at low and high pressure convective flows. Potential applications of this code to rocket combustor design and performance predictions are discussed.

Deng, Zheng-Tao↗
NASA NTRS1972

Comparison of some approximations for isotropic turbulence.

Study of several related turbulence approximations with regard to dynamical properties and agreement of numerical predictions with laboratory and computer experiments. The approximations considered include the direct-interaction equations (Kraichnan, 1964), Herring's (1966) self-consistent-field theory, a generalization of Edwards' (1964) theory, the abridged Lagrangian-history, direct-interaction approximation (Kraichnan, 1966), the test-field model (Kraichnan, 1971), and an approximation, not previously described, in which one velocity field passively suffers convection by another. Most of the cited approximations are representable by stochastic model equations for the velocity amplitude. Explicit constructions are given for the stochastic models, in a form that can be approximated on a digital computer. These constructions are used to discuss the physical and mathematical differences between the model dynamics and actual Navier-Stokes dynamics.-

Herring, J. R.↗
NASA NTRS1991

A detailed numerical investigation of Burke-Schumann gaseous and spray flames

The classical Burke-Schumann gaseous diffusion flame, and the effect of introducing fuel in the form of liquid sprays are investigated numerically. The time-dependent two-dimensional, axisymmetric conservation equations are solved for the gas phase. A Lagrangian approach is used for the dispersed phase. The chemical reactions are modeled through the one-step global reaction scheme. The numerical results show that the computed flame structure is significantly different from that given by the analytical solution. The computed flame is about 15 percent longer and 5 percent narrower than the classical Burke-Schumann flame. The predicted flame shape is, however, in better agreement with experimental observations than the Burke-Schumann flame. The effects of introducing liquid sprays is found to produce thinner and longer flames than its counterpart gaseous flame. A detailed comparison of the structures of gaseous and spray flames is made, and the differences are discussed.

Mawid, M. A.↗
NASA NTRS1977

Numerical turbulence modeling

The underlying bases and developments in two techniques of detailed turbulence modeling are described where the flow is treated in the Eulerian sense, and one technique where the Lagrangian motions of vortices are followed. First, a technique is described for solving the single-point statistically averaged conservation equations. The Reynolds stresses that appear in these equations are evaluated by solving supplemental differential equations which contain terms that are modeled. A sequence of increasingly complex, but also increasingly general, modeling equations is described and computations based on these equations are compared with experimental data. The hierarchy of models described terminates with equations for the individual components of the Reynolds stress tensor. The second Eulerian technique approach to turbulence modeling is the direct numerical simulation of turbulent fields. In this approach, all three dimensional eddies between a predetermined range of sizes are computed in time within a specified volume of flow. Present day computers require a tradeoff between the size of the volume that can be considered and the degree of resolution of the turbulent eddies. Techniques of modeling the smallest eddies are described that permit enlarging the volume, or Reynolds number, that can be considered.

Rubesin, M. W.↗
DOE OSTI2022

Insights on sources and formation mechanisms of liquid-bearing clouds over MOSAiC examined from a Lagrangian framework

Understanding Arctic stratiform liquid-bearing cloud life cycles and properly representing these life cycles in models is crucial for evaluations of cloud feedbacks as well as the faithfulness of climate projections for this rapidly warming region. Examination of cloud life cycles typically requires analyses of cloud evolution and origins on short time scales, on the order of hours to several days. Measurements from the recent Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition provide a unique view of the current state of the central Arctic over an annual cycle. Here, we use the MOSAiC radiosonde measurements to detect liquid-bearing cloud layers over full atmospheric columns and to examine the cloud-generating air masses’ properties. We perform 5-day (120 h) back-trajectory calculations for every detected cloud and cluster them using a unique set of variables extracted from these trajectories informed by ERA5 reanalysis data. This clustering method enables us to separate between the air mass source regions such as ice-covered Arctic and midlatitude open water. We find that moisture intrusions into the central Arctic typically result in multilayer liquid-bearing cloud structures and that more than half of multilayer profiles include overlying liquid-bearing clouds originating in different types of air masses. Finally, we conclude that Arctic cloud formation via prolonged radiative cooling of elevated stable subsaturated air masses circulating over the Arctic can occur frequently (up to 20% of detected clouds in the sounding data set) and may lead to a significant impact of ensuing clouds on the surface energy budget, including net surface warming in some cases.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

An Optimization-Based Coupling of Reduced Order Models with an Efficient Reduced Adjoint Basis Generation Approach

Optimization-based coupling (OBC) is an attractive alternative to traditional Lagrange multiplier approaches in multiple modeling and simulation contexts. However, application of OBC to time-dependent problems has been hindered by the computational cost of finding the stationary points of the associated Lagrangian, which requires primal and adjoint solves. This issue can be mitigated by using OBC in conjunction with computationally efficient reduced order models (ROMs). To demonstrate the potential of this combination, in this paper, we develop an optimization-based ROM-ROM coupling for a transient advection-diffusion transmission problem. We pursue the “optimize-then-reduce” path toward solving the minimization problem at each time step and solve reduced space adjoint system of equations, where the main challenge in this formulation is the generation of adjoint snapshots and reduced bases for the adjoint systems required by the optimizer. One of the main contributions of the paper is a new technique for an efficient adjoint snapshot collection for gradient-based optimizers in the context of optimization-based ROM-ROM couplings. In conclusion, we present numerical studies demonstrating the accuracy of the approach along with comparison between various approaches for selecting a reduced order basis for the adjoint systems, including decay of snapshot energy, average iteration counts, and timings.

coupled problems↗
NASA NTRS2003

A posterirori study of models for large eddy simulations of drop-laden flows

Large Eddy Simulation (LES) is conducted of a three-dimensional temporal mixing layer whose stream is initially laden with liquid drops which may evaporate during the simulation. The gas-phase equations are written in Eulerian frame for two perfect gas species (carrier gas and vapor emanating from the drops), while the liquid-phase equations are written in a Lagrangian frame.

spray modeling↗
DOE OSTI2020

Summertime Post-Cold-Frontal Marine Stratocumulus Transition Processes over the Eastern North Atlantic

Abstract Marine boundary layer (MBL) cloud morphology associated with two summertime cold fronts over the eastern North Atlantic (ENA) is investigated using high-resolution simulations from the Weather Research and Forecasting (WRF) Model and observations from the Atmospheric Radiation Measurement (ARM) ENA Climate Research Facility. Lagrangian trajectories are used to study the evolution of post-cold-frontal MBL clouds from solid stratocumulus to broken cumulus. Clouds within specified domains in the vicinity of transitions are classified according to their degree of decoupling, and cloud-base and cloud-top breakup processes are evaluated. The Lagrangian derivative of the surface latent heat flux is found to be strongly correlated with that of the cloud fraction at cloud base in the simulations. Cloud-top entrainment instability (CTEI) is shown to operate only in the decoupled MBL. A new indicator of inversion strength at cloud top that employs the vertical gradients of equivalent potential temperature and saturation equivalent potential temperature, which can be computed directly from soundings, is proposed as an alternative to CTEI. Overall, results suggest that the deepening–warming hypothesis suggested by Bretherton and Wyant explains many of the characteristics of the summertime postfrontal MBL evolution of cloud structure over the ENA, thereby widening the phase space over which the hypothesis may be applied. A subset of the deepening–warming hypothesis involving warming initially dominating over moistening is proposed. It is postulated that changes in climate change–induced modifications in cold-frontal structure over the ENA may be accompanied by coincident changes in the location and timing of MBL cloud transitions in the post-cold-frontal environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Matching the Standard Model to heavy-quark effective theory and nonrelativistic QCD

We find the leading electroweak corrections to the Lagrangians of heavy-quark effective theory and nonrelativistic QCD. These corrections appear in the Wilson coefficients of the two- and four-quark operators and are considered here at one-loop order through $\mathscr{O}(1/m^3)$ and $\mathscr{O}(1/m^2)$, respectively. The two-quark operators through this order include new parity violating terms, which we derive analogously to the parity preserving QCD result at one-loop order.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Basis light-front quantization for a chiral nucleon-pion Lagrangian

We present the first application of the basis light-front quantization method to a simple chiral model of the nucleon-pion system as a relativistic bound state for the physical proton. In this work, the light-front mass-squared matrix of the nucleon-pion system is obtained within a truncated basis. The mass and the corresponding light-front wave function (LFWF) of the proton are computed by numerical diagonalization of the resulting mass-squared matrix. With the boost-invariant LFWF, we calculate the probability density distribution of the pion's longitudinal momentum fraction and the Dirac form factor of the proton.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1985

A panel method study of vortex sheets with special emphasis on sheets of axisymmetric geometry

The self induced evolution of a vortex sheet was simulated by modeling the sheet using an integration of discrete elements of vorticity. Replacing small sections of a vortex sheet by flat panels of constant vorticity is found to reproduce more accurately the initial conditions for the Lagrangian simulation technique than replacement by point vortices. The flat panel method for the vortex sheet was then extended to model axisymmetric vortex sheets. The local and far field velocities induced by the axisymmetric panels were obtained using matched asymptotic analysis, and some of the uncertainties involved in other models of the axisymmetric vortex sheet have been eliminated. One important result of this analysis is the determination of the proper choice of core size for a circular vortex filament which may replace a section of an axisymmetric vortex sheet. Roll-up of both two dimensional and axisymmetric vortex sheets was computed using the panel methods developed in the report.

Sugioka, I.↗
DOE OSTI2023

Shadow Molecular Dynamics and Atomic Cluster Expansions for Flexible Charge Models

Here, a shadow molecular dynamics scheme for flexible charge models is presented where the shadow Born–Oppenheimer potential is derived from a coarse-grained approximation of range-separated density functional theory. The interatomic potential, including the atomic electronegativities and the charge-independent short-range part of the potential and force terms, is modeled by the linear atomic cluster expansion (ACE), which provides a computationally efficient alternative to many machine learning methods. The shadow molecular dynamics scheme is based on extended Lagrangian (XL) Born–Oppenheimer molecular dynamics (BOMD). XL-BOMD provides stable dynamics while avoiding the costly computational overhead associated with solving an all-to-all system of equations, which normally is required to determine the relaxed electronic ground state prior to each force evaluation. To demonstrate the proposed shadow molecular dynamics scheme for flexible charge models using atomic cluster expansion, we emulate the dynamics generated from self-consistent charge density functional tight-binding (SCC-DFTB) theory using a second-order charge equilibration (QEq) model. The charge-independent potentials and electronegativities of the QEq model are trained for a supercell of uranium oxide (UO 2 ) and a molecular system of liquid water. The combined ACE+XL-QEq molecular dynamics simulations are stable over a wide range of temperatures both for the oxide and for the molecular systems and provide a precise sampling of the Born–Oppenheimer potential energy surfaces. Accurate ground Coulomb energies are produced by the ACE-based electronegativity model during an NVE simulation of UO 2 , predicted to be within 1 meV of those from SCC-DFTB on average during comparable simulations.

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

A Multi-physics Computational Investigation of Droplet Pathogen Transport Eminating from Synthetic Coughs and Breathing

In response to the global SARS-CoV-2 transmission pandemic, Sandia National Laboratories Rapid Lab-Directed Research and Development (LDRD) COVID-19 initiative has deployed a multi-physics, droplet-laden, turbulent low-Mach simulation tool to model pathogen-containing water droplets that emanate from synthetic human coughing and breathing. The low-Mach turbulent Eulerian/point-particle Lagrangian methodology directly couples mass, momentum, energy, and species to capture droplet evaporation physics that supports the ability to distinguish between droplets that deposit and those that persist in the environment. Additionally, the cough mechanism is modeled as a pulsed-spray with a prescribed log-normal droplet size distribution. Simulations demonstrate direct droplet deposition lengths in excess of three meters while the persistence of a droplet nuclei entrained within a buoyant plume is noted. Including the effect of protective barriers demonstrates effective mitigation of large-droplet transport. For coughs into a protective barrier, jet impingement and large-scale re-circulation can drive droplets vertically and back towards the subject while supporting persistence of droplet nuclei. Simulations in quiescent conditions demonstrate droplet preferential concentrations due to the coupling between vortex ring shedding and the subsequent advection of a series of three-dimensional rings that tilt and rise vertically due to a misalignment between the initial principle vortex trajectory and gravity. These resolved coughing simulations note vortex ring formation, roll-up and breakdown, while entraining droplet nuclei for large distances and time scales.

42 ENGINEERING↗
DOE OSTI2021

Energy based fracture initiation criterion for strain-crystallizing rubber-like materials with pre-existing cracks

Fracture prediction is indispensable for polymers, like rubbers, which have a broad range of applications mainly due to their high extensibility. The phenomenon known as strain-induced crystallization further contributes to the fracture toughness of certain rubbers. Here in this study, a criterion based on internal bond energy, incorporating the effects of crystallization, is proposed to predict fracture initiation in rubber-like materials with pre-existing cracks. First, a multi-scale mechanical model is developed for characterizing the behavior of rubber when subjected to both uniaxial and biaxial deformation states. At the microscale, both the amorphous and crystalline chain segments are modeled as elastic in order to consider the energy contribution by the molecular bond distortions. This internal energy is considered along with the entropic and crystalline free energy for each chain. In the chain model, the effects of loading condition and the relative orientation of a chain on its crystallinity are taken into account. At the macroscopic scale, an existing crystallinity distribution function is adapted and a mixed finite element formulation with an augmented Lagrangian multiplier is utilized to impose the incompressibility constraint. A non-affine maximal advance path constraint based homogenization model is utilized for bridging the two scales. Its potential to account for anisotropy in the stretched network compels the model to be preferable due to its physical significance, for the purpose of fracture modeling. The rigidity of the crystallites is accounted for by proposing a crystallite distortion energy in addition to the critical bond dissociation energy, for fracture initiation to occur. The model is validated by comparison with existing experimental results for both crystallizing and non-crystallizing rubbers. In addition to its potential to predict the material behavior when subjected to uniaxial and biaxial loading, the capability of the model to quantitatively estimate the effect of crystallization on fracture initiation is also verified.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Mixed models and reduced/selective integration displacement models for nonlinear analysis of curved beams

Simple mixed models are developed for use in the geometrically nonlinear analysis of deep arches. A total Lagrangian description of the arch deformation is used, the analytical formulation being based on a form of the nonlinear deep arch theory with the effects of transverse shear deformation included. The fundamental unknowns comprise the six internal forces and generalized displacements of the arch, and the element characteristic arrays are obtained by using Hellinger-Reissner mixed variational principle. The polynomial interpolation functions employed in approximating the forces are one degree lower than those used in approximating the displacements, and the forces are discontinuous at the interelement boundaries. Attention is given to the equivalence between the mixed models developed herein and displacement models based on reduced integration of both the transverse shear and extensional energy terms. The advantages of mixed models over equivalent displacement models are summarized. Numerical results are presented to demonstrate the high accuracy and effectiveness of the mixed models developed and to permit a comparison of their performance with that of other mixed models reported in the literature.

Noor, A. K.↗
DOE OSTI2024

Impacts of stochastic coalescence variability on warm rain initiation using Lagrangian microphysics in box and large-eddy simulations

Various coalescence methods for Lagrangian microphysics schemes are tested in box and large-eddy simulation (LES) models, including the stochastic all-or-nothing super-droplet method (SDM) and a version of SDM (dSDM) that applies a fractional approach similar to the average impact method. In LES, variabilities driven by microphysics and by flow realizations are separated using the “piggybacking” technique. Rain initiation averaged over many realizations of the box model is delayed and rain variability increases as the number of super-drops per collision volume ( N SD ) is decreased using SDM. In contrast, rain initiation time using SDM in LES is insensitive to N SD for 32 ≤ N SD ≤ 512. This is explained through the interaction between LES grid boxes, each acting as a separate collision volume. Variability across the ensemble of LES collision volumes using SDM results in rain quickly initiating in some of the LES grid cells at low N SD and leading to a similar overall timing of rain initiation from the cloud compared to simulations with high N SD . There is a ~20% decrease in the total rain mass and mean rain flux as N SD is increased from 32 to 256, with little additional change as N SD is increased from 256 to 512. The fractional coalescence approach in dSDM leads to reduced microphysical variability and a 15-18 min delay in rain initiation compared to SDM. Finally, an additional LES ensemble with microphysical variability feeding back to the dynamics shows that flow variability dominates the impact of microphysical variability on rain properties. Thus, flow variability must be constrained to isolate impacts of microphysical variability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Sequential flows by irrelevant operators

We explore whether one can T\overline{T} T T ¯ deform a collection of theories that are already T\overline{T} T T ¯ -deformed. This allows us to define classes of irrelevant deformations that know about subsystems. In some basic cases, we explore the spectrum that results from this procedure and we provide numerical evidence in favor of modular invariance. We also study the flow of the classical Lagrangian for free bosons and free fermions under successive deformations. Some of the models found by sequentially flowing are likely to have interesting holographic interpretations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗