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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Evolution of Droplet Size Distributions During the Transition of an Ultraclean Stratocumulus Cloud System to Open Cell Structure: An LES Investigation Using Lagrangian Microphysics

Here, a state-of-the-art Lagrangian microphysics scheme is used in a large-eddy simulation to investigate the stratocumulus transition from closed to open cell structure. Processes controlling precipitation development, which is a key to the transition, are analyzed by leveraging unique benefits of Lagrangian microphysics, particularly the ability to track computational drops in the flow. Sufficient time is needed for coalescence growth of cloud drops to drizzle within the updraft-downdraft cycle of large eddies. This favors broad drop size distributions (DSDs) and drizzle growth in downdrafts, where drops are typically much older than in updrafts. During the closed cell stage, mean cloud drop radius is too small, and the DSDs are too narrow, so that the timescale for coalescence is much longer than the large eddy turnover time and drizzle growth is limited. The closed-to-open cell transition occurs when these timescales become comparable and the precipitation flux increases sharply.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

An Intercomparison of Large‐Eddy Simulations of a Convection Cloud Chamber Using Haze‐Capable Bin and Lagrangian Cloud Microphysics Schemes

Abstract Recent in situ observations show that haze particles exist in a convection cloud chamber. The microphysics schemes previously used for large‐eddy simulations of the cloud chamber could not fully resolve haze particles and the associated processes, including their activation and deactivation. Specifically, cloud droplet activation was modeled based on Twomey‐type parameterizations, wherein cloud droplets were formed when a critical supersaturation for the available cloud condensation nuclei (CCN) was exceeded and haze particles were not explicitly resolved. Here, we develop and adapt haze‐capable bin and Lagrangian microphysics schemes to properly resolve the activation and deactivation processes. Results are compared with the Twomey‐type CCN‐based bin microphysics scheme in which haze particles are not fully resolved. We find that results from the haze‐capable bin microphysics scheme agree well with those from the Lagrangian microphysics scheme. However, both schemes significantly differ from those from a CCN‐based bin microphysics scheme unless CCN recycling is considered. Haze particles from the recycling of deactivated cloud droplets can strongly enhance cloud droplet number concentration due to a positive feedback in haze‐cloud interactions in the cloud chamber. Haze particle size distributions are more realistic when considering solute and curvature effects that enable representing the complete physics of the activation process. Our study suggests that haze particles and their interactions with cloud droplets may have a strong impact on cloud properties when supersaturation fluctuations are comparable to mean supersaturation, as is the case in the cloud chamber and likely is the case in the atmosphere, especially in polluted conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Energy-Casimir, dynamically accessible, and Lagrangian stability of extended magnetohydrodynamic equilibria

The formal stability analysis of Eulerian extended magnetohydrodynamics (XMHD) equilibria is considered within the noncanonical Hamiltonian framework by means of the energy-Casimir variational principle and the dynamically accessible stability method. Specifically, we find explicit sufficient stability conditions for axisymmetric XMHD and Hall MHD (HMHD) equilibria with toroidal flow and for equilibria with arbitrary flow under constrained perturbations. The dynamically accessible, second-order variation of the Hamiltonian, which can potentially provide explicit stability criteria for generic equilibria, is also obtained. Moreover, we examine the Lagrangian stability of the general quasineutral two-fluid model written in terms of MHD-like variables, by finding the action and the Hamiltonian functionals of the linearized dynamics, working within a mixed Lagrangian-Eulerian framework. Upon neglecting electron mass, we derive a HMHD energy principle, and in addition, the perturbed induction equation arises from Hamilton’s equations of motion in view of a consistency condition for the relation between the perturbed magnetic potential and the canonical variables.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Learning effective physical laws for generating cosmological hydrodynamics with Lagrangian deep learning

The goal of generative models is to learn the intricate relations between the data to create new simulated data, but current approaches fail in very high dimensions. When the true data-generating process is based on physical processes, these impose symmetries and constraints, and the generative model can be created by learning an effective description of the underlying physics, which enables scaling of the generative model to very high dimensions. In this work, we propose Lagrangian deep learning (LDL) for this purpose, applying it to learn outputs of cosmological hydrodynamical simulations. The model uses layers of Lagrangian displacements of particles describing the observables to learn the effective physical laws. The displacements are modeled as the gradient of an effective potential, which explicitly satisfies the translational and rotational invariance. The total number of learned parameters is only of order 10, and they can be viewed as effective theory parameters. Further, we combine N-body solver fast particle mesh (FastPM) with LDL and apply it to a wide range of cosmological outputs, from the dark matter to the stellar maps, gas density, and temperature. The computational cost of LDL is nearly four orders of magnitude lower than that of the full hydrodynamical simulations, yet it outperforms them at the same resolution. We achieve this with only of order 10 layers from the initial conditions to the final output, in contrast to typical cosmological simulations with thousands of time steps. This opens up the possibility of analyzing cosmological observations entirely within this framework, without the need for large dark-matter simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Lagrangian–Eulerian multidensity topology optimization with the material point method

Abstract In this paper, a hybrid Lagrangian–Eulerian topology optimization (LETO) method is proposed to solve the elastic force equilibrium with the Material Point Method (MPM). LETO transfers density information from freely movable Lagrangian carrier particles to a fixed set of Eulerian quadrature points. This transfer is based on a smooth radial kernel involved in the compliance objective to avoid the artificial checkerboard pattern. The quadrature points act as MPM particles embedded in a lower‐resolution grid and enable a subcell multidensity resolution of intricate structures with a reduced computational cost. A quadrature‐level connectivity graph‐based method is adopted to avoid the artificial checkerboard issues commonly existing in multiresolution topology optimization methods. Numerical experiments are provided to demonstrate the efficacy of the proposed approach.

Li, Yue↗
DOE OSTI2020

“Lagrangian disks” in M-theory

While the study of bordered (pseudo-)holomorphic curves with boundary on Lagrangian submanifolds has a long history, a similar problem that involves (special) Lagrangian submanifolds with boundary on complex surfaces appears to be largely overlooked in both physics and math literature. We relate this problem to geometry of coassociative submanifolds in G 2 holonomy spaces and to Spin(7) metrics on 8-manifolds with T 2 fibrations. As an application to physics, we propose a large class of brane models in type IIA string theory that generalize brane brick models on the one hand and 2d theories T[M 4 ] on the other.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Special Lagrangian Cycles and Calabi-Yau Transitions

Here, we construct special Lagrangian 3-spheres in non-Kähler compact threefolds equipped with the Fu–Li–Yau geometry. These non-Kähler geometries emerge from topological transitions of compact Calabi-Yau threefolds. From this point of view, a conifold transition exchanges holomorphic 2-cycles for special Lagrangian 3-cycles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Seasonal variation of the surface cross-shelf exchange in the northern South China Sea: a Lagrangian perspective

Previous studies on cross-shelf exchange, predominantly adopted an Eulerian perspective, struggled to identify water sources and pathways. Using a high-resolution regional ocean modeling system (ROMS) and Lagrangian particle tracking, this study systematically investigates the seasonal variation and dynamics of surface cross-shelf exchange in the northern South China Sea (NSCS) from a Lagrangian perspective. Based on daily released 30-day drifter trajectories we identify the key pathways, source regions for surface cross-shelf exchange, revealing pronounced seasonal variability. Results show the surface cross-shelf exchange generally following monsoon-driven Ekman transport. However, local dynamics, especially topographic modulation, can outweigh the expected Ekman-driven transport, producing surface exchange patterns opposite to that predicted from the prevailing winds. Topographic effects vary across different scales. In the coastal waters of western Guangdong during winter, despite downwelling-favorable winds, the modulation of alongshore currents by island topography induces an eastward pressure gradient. This gradient, through geostrophic balance, drives offshore flows opposite to wind-driven Ekman onshore transport. Furthermore, the eastern widened shelf exhibits a distinct seasonal variation of cross-shelf exchange, with strong offshore transport (opposite to the direction of Ekman transport) in winter and exceedingly weak exchange in summer. Analysis of the underlying mechanisms reveals that this winter offshore transport is primarily attributed to geostrophic flows driven by surface pressure gradient that is jointly modulated by the Kuroshio intrusion and local widened shelf topography, and enhanced by cumulative submesoscale processes. In summer, a persistent and strong along-isobath jet acts as a dynamic barrier, effectively suppressing the exchange. These findings highlight the important role of topography in regulating surface material transport, and have important implications for predicting the advection and dispersion of plankton or oil spills over the continental shelf influenced by monsoon.

Hao, Dongliang↗
DOE OSTI2025

Differentiable lagrangian shock hydrodynamics with application to stable shock acceleration of density interfaces

We develop a gradient based optimization approach for the equations of compressible, Lagrangian hydrodynamics and demonstrate how it can be employed to automatically uncover strategies to control hydrodynamic instabilities arising from shock acceleration of density interfaces. Strategies for controlling the Richtmyer-Meshkov instability (RMI) are of great benefit for inertial confinement fusion (ICF) where shock interactions with many small imperfections in the density interface lead to instabilities which rapidly grow over time. These instabilities lead to mixing which, in the case of laser driven ICF, quenches the runaway fusion process ruining the potential for positive energy return. Here, we demonstrate that control of these instabilities can be achieved by optimization of initial conditions with ( > 100) parameters. Optimizing over a large parameter space like this is not possible with gradient-free optimization strategies. This requires computation of the gradient of the outputs of a numerical solution to the equations of Lagrangian hydrodynamics with respect to the inputs. We show that the efficient computation of these gradients is made possible via a judicious application of (i) adjoint methods, the exact formal representation of sensitivities involving partial differential equations, and (ii) automatic differentiation (AD), the algorithmic calculation of derivatives of functions. Careful regularization of multiple operators including artificial viscosity and timestep control is required. We perform design optimization of > 100 parameter energy field driving the Richtmyer Meshkov instability showing significant suppression while simultaneously enhancing the acceleration of the interface relative to a nominal baseline case.

Hydrophysics↗
DOE OSTI2024

CFD unified approach under Eulerian–Lagrangian framework for methanol and gasoline direct injection sprays in evaporative and flash boiling conditions

Innovative synthetic fuels for advanced propulsion systems, such as methanol and ammonia, and synthetic blended fuels (E00, E10, and E30), known for their high volatility, are often injected directly into combustion chambers. It follows that Eulerian–Lagrangian spray models need to accurately capture the spray collapse as a consequence of flash boiling onset and be capable of proficiently handling the preferential evaporation of multi-component fuels in evaporative scenarios. So, we performed the assessment of an Eulerian–Lagrangian CFD code for simulating methanol and E00 gasoline blend sprays in both early and late injection conditions involving flash boiling conditions and preferential evaporation. The adoption of an effervescent breakup model and of a non-equilibrium phase transition model for the discrete phase allows the adoption of a setup that is almost completely free from specific constant tuning, especially for what concerns the breakup model. We validated the simulations using experimental PLV maps of methanol and E00 sprays issued from the ECN Spray M injector. The results highlight a significantly different morphology of the methanol spray compared to the E00 one under late injection conditions. Under stratified combustion, low-volatile fuels are likely to be ignited first, and the flame propagates toward the high-volatile fuels. In conclusion, the spray collapse was also correctly reproduced, inducing the presence of a low-pressure zone and modifying the spray morphology.

E00↗
DOE OSTI2024

Source Levels of In‐Cloud Air in Shallow Cumulus: Consistency Between Paluch Diagram and Lagrangian Particle Tracking

Abstract The Paluch diagram is a widely used tool for interpreting aircraft measurements of shallow cumulus clouds. A prior study conducted by Heus et al. (2008,https://doi.org/10.1175/2008jas2572.1) concluded that the source levels of in‐cloud air inferred from the Paluch diagram exhibit biases, sometimes of several hundred meters, in comparison to those derived from Lagrangian particle tracking. In this short study we revisit this comparison. The results indicate that the upper source levels of in‐cloud air determined from the Lagrangian Particle Tracking and the Paluch diagram are consistent, and the choice of statistical methods is crucial. The significance of this research lies in confirming the reliability of the Paluch analysis, enabling its confident application to aircraft data.

Meteorology & Atmospheric Sciences↗
DOE OSTI2021

Considerations for the modeling of the laser ablation region of ICF targets with Lagrangian simulations

Recently, much effort has been dedicated to the improvement of models and modeling choices utilized in radiation hydrodynamic simulations of direct drive inertial confinement fusion experiments in an effort to improve their predictive capability. In this paper, we consider the choice in mesh for the simulation of the laser ablation of a direct-drive-like target and compare Lagrangian simulations with various mesh zoning choices with Eulerian simulations with fixed resolution in the laser energy deposition region. Using these simulations, we demonstrate how errors in ablation pressure, laser deposition rate, shock speed, and density profile arise from insufficient zoning following from the conservation of mass of Lagrangian zones. These considerations place stringent requirements on the initial t = 0 zoning in the solid density shell for simulations aiming at resolving the ablation and laser absorption region. However, with sufficiently fine zoning in the t = 0 shell, agreement with Eulerian simulations and analytic scaling laws can be recovered.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Electron energization in reconnection: Eulerian vs Lagrangian perspectives

Particle energization due to magnetic reconnection is an important unsolved problem for myriad space and astrophysical plasmas. Electron energization in magnetic reconnection has traditionally been examined from a particle, or Lagrangian, perspective using particle-in-cell (PIC) simulations. Guiding-center analyses of ensembles of PIC particles have suggested that Fermi (curvature drift) acceleration and direct acceleration via the reconnection electric field are the primary electron energization mechanisms. However, both PIC guiding-center ensemble analyses and spacecraft observations are performed in an Eulerian perspective. For this work, we employ the continuum Vlasov–Maxwell solver within the Gkeyll simulation framework to reexamine electron energization from a kinetic continuum, Eulerian, perspective. We separately examine the contribution of each drift energization component to determine the dominant electron energization mechanisms in a moderate guide-field Gkeyll reconnection simulation. In the Eulerian perspective, we find that the diamagnetic and agyrotropic drifts are the primary electron energization mechanisms away from the reconnection x-point, where direct acceleration dominates. We compare the Eulerian (Vlasov Gkeyll) results with the wisdom gained from Lagrangian (PIC) analyses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Lagrangian formulation of nuclear–electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems

Here, we present a Lagrangian-based implementation of Ehrenfest dynamics with nuclear–electronic orbital (NEO) theory and real-time time-dependent density functional theory for extended periodic systems. In addition to a quantum dynamical treatment of electrons and selected protons, this approach allows for the classical movement of all other nuclei to be taken into account in simulations of condensed matter systems. Furthermore, we introduce a Lagrangian formulation for the traveling proton basis approach and propose new schemes to enhance its application for extended periodic systems. Validation and proof-of-principle applications are performed on electronically excited proton transfer in the o-hydroxybenzaldehyde molecule with explicit solvating water molecules. These simulations demonstrate the importance of solvation dynamics and a quantum treatment of transferring protons. This work broadens the applicability of the NEO Ehrenfest dynamics approach for studying complex heterogeneous systems in the condensed phase.

Calculus of variations↗
DOE OSTI2022

A fully Lagrangian, non-parametric bias model for dark matter halos

Here, we present a non-parametric Lagrangian biasing model and fit the ratio of the halo and mass densities at the field level using the mass-weighted halo field in the AbacusSummit simulations at z=0.5. Unlike the perturbative halo bias model that has been widely used in interpreting the observed large-scale structure traced by galaxies, we find a non-negative halo-to-mass ratio that increases monotonically with the linear overdensity δ 1 in the initial Lagrangian space. The bias expansion, however, does not guarantee non-negativity of the halo counts, and may lead to rising halo number counts at negative overdensities. The shape of the halo-to-mass ratio is unlikely to be described by a polynomial function of δ 1 and other quantities. Especially for massive halos with 6×10 12 h -1 M ⊙ , the halo-to-mass ratio starts soaring up at δ 1 >0, substantially different from the predictions of the bias expansion. We show that for the halo masses we consider (M>3×10 11 h -1 M ⊙ ) a non-parametric halo-to-mass ratio as a function of δ 1 and its local derivative ∇^2δ 1 can recover the halo power spectra to sub-percent level accuracy for wavenumbers k=0.01-0.1 h Mpc -1 given a proper smoothing scale to filter the initial density field, even though we do not fit the power spectrum directly. However, there is mild dependence of the recovery of the halo power spectrum on the smoothing scale and other input parameters. At k<0.01 h Mpc -1 and for massive halos with M>6x10 12 h -1 M ⊙ , our non-parametric model leads to a few percent overestimation of the halo power spectrum, indicating the need for larger or multiple smoothing scales. The halo-to-mass ratios obtained qualitatively agree with intuitions from extended Press-Schechter theory. We compare our framework to the bias expansion and discuss possible extensions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Cosmological analysis of three-dimensional BOSS galaxy clustering and Planck CMB lensing cross correlations via Lagrangian perturbation theory

In this work, we present a formalism for jointly fitting pre- and post-reconstruction redshift-space clustering (RSD) and baryon acoustic oscillations (BAO) plus gravitational lensing (of the CMB) that works directly with the observed 2-point statistics. The formalism is based upon (effective) Lagrangian perturbation theory and a Lagrangian bias expansion, which models RSD, BAO and galaxy-lensing cross correlations within a consistent dynamical framework. As an example we present an analysis of clustering measured by the Baryon Oscillation Spectroscopic Survey in combination with CMB lensing measured by Planck. The post-reconstruction BAO strongly constrains the distance-redshift relation, the full-shape redshift-space clustering constrains the matter density and growth rate, and CMB lensing constrains the clustering amplitude. Using only the redshift space data we obtain Ω m = 0.303 ± 0.008, $H_0$ = 69.21 ± 0.78 and $σ_8$ = 0.743 ± 0.043. The addition of lensing information, even when restricted to the Northern Galactic Cap, improves constraints to Ω m = 0.303 ± 0.008, $H_0$ = 69.21 ± 0.77 and $σ_8$ = 0.707 ± 0.035, in tension with CMB and cosmic shear constraints. The combination of Ω m and $H_0$ are consistent with Planck, though their constraints derive mostly from redshift-space clustering. The low $σ_8$ value are driven by cross correlations with CMB lensing in the low redshift bin ($\textit{z}$ ≃ 0.38) and at large angular scales, which show a 20% deficit compared to expectations from galaxy clustering alone. We conduct several systematics tests on the data and find none that could fully explain these tensions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The PDF perspective on the tracer-matter connection: Lagrangian bias and non-Poissonian shot noise

ABSTRACT We study the connection of matter density and its tracers from the probability density function (PDF) perspective. One aspect of this connection is the conditional expectation value 〈δtracer|δm〉 when averaging both tracer and matter density over some scale. We present a new way to incorporate a Lagrangian bias expansion of this expectation value into standard frameworks for modelling the PDF of density fluctuations and counts-in-cells statistics. Using N-body simulations and mock galaxy catalogues we confirm the accuracy of this expansion and compare it to the more commonly used Eulerian parametrization. For haloes hosting typical luminous red galaxies, the Lagrangian model provides a significantly better description of 〈δtracer|δm〉 at second order in perturbations. A second aspect of the matter-tracer connection is shot-noise, i.e. the scatter of tracer density around 〈δtracer|δm〉. It is well known that this noise can be significantly non-Poissonian and we validate the performance of a more general, two-parameter shot-noise model for different tracers and simulations. Both parts of our analysis are meant to pave the way for forthcoming applications to survey data.

Friedrich, Oliver↗
DOE OSTI2023

Lagrangian displacement field estimators in cosmology

The late-time nonlinear Lagrangian displacement field is highly correlated with the initial field, so reconstructing it could enable us to extract primordial cosmological information. Our previous work carefully studied the displacement field reconstructed from the late-time density field using the iterative method proposed and found that it does not fully converge to the true, underlying displacement field (e.g., ~8 % offset at k ~ 0.2 h Mpc –1 at z = 0.6 ). We also constructed the Lagrangian perturbation theory model for the reconstructed field, but the model could not explain the discrepancy between the true and the reconstructed fields in the previous work. Here, the main sources of the discrepancy were speculated to be a numerical artifact in the displacement estimator due to the discreteness of the sample. In this paper, we develop two new estimators of the displacement fields to reduce such a numerical discreteness effect, the normalized momentum estimator and the rescaled resumed estimator. We show that the discrepancy reported is not due to the numerical artifacts. We conclude that the method cannot fully reconstruct the shape of the nonlinear displacement field at the redshift we studied, while it is still an efficient baryon acoustic oscillation reconstruction method. In parallel, by properly accounting for the UV-sensitive term in a reconstruction procedure with an effective field theory approach, we improve the theoretical model for the reconstructed displacement field, by almost 5 times, from ~15% to the level of a few percent at k ~ 0.2 h Mpc –1 at the redshift z = 0.6.

79 ASTRONOMY AND ASTROPHYSICS↗