Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Lagrangian modeling”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

New two-metric theory of gravity with prior geometry

A Lagrangian-based metric theory of gravity is developed with three adjustable constants and two tensor fields, one of which is a nondynamic 'flat space metric' eta. With a suitable cosmological model and a particular choice of the constants, the 'post-Newtonian limit' of the theory agrees, in the current epoch, with that of general relativity theory (GRT); consequently the theory is consistent with current gravitation experiments. Because of the role of eta, the gravitational 'constant' G is time-dependent and gravitational waves travel null geodesics of eta rather than the physical metric g. Gravitational waves possess six degrees of freedom. The general exact static spherically-symmetric solution is a four-parameter family. Future experimental tests of the theory are discussed.

Lightman, A. P.↗
NASA NTRS1989

Mixed finite element formulation for frictionless contact problems

Simple mixed finite element models and a computational procedure are presented for the solution of frictionless contact problems. The analytical formulation is based on a form of Reissner's large-rotation theory of the structure with the effect of transverse shear deformation included. The contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the internal forces (or stress resultants), the generalized displacements, and the Lagrange multipliers associated with the contact conditions. Numerical examples of axisymmetric deformations of a hemispherical shell and planar deformations of a circular ring are presented. Both structures are pressed against a rigid plate. Detailed information about the response of the structures is presented. The numerical studies demonstrate the high accuracy of the mixed models and the effectiveness of the computational procedure based on combining the geometrically nonlinear terms and the contact conditions in one iteration loop.

Noor, Ahmed K.↗
DOE OSTI2020

eFESTA: Ensemble Feature Exploration with Surface Density Estimates

We propose surface density estimate (SDE) to model the spatial distribution of surface features-isosurfaces, ridge surfaces, and streamsurfaces-in 3D ensemble simulation data. The inputs of SDE computation are surface features represented as polygon meshes, and no field datasets are required (e.g., scalar fields or vector fields). The SDE is defined as the kernel density estimate of the infinite set of points on the input surfaces and is approximated by accumulating the surface densities of triangular patches. We also propose an algorithm to guide the selection of a proper kernel bandwidth for SDE computation. An ensemble Feature Exploration method based on Surface densiTy EstimAtes (eFESTA) is then proposed to extract and visualize the major trends of ensemble surface features. For an ensemble of surface features, each surface is first transformed into a density field based on its contribution to the SDE, and the resulting density fields are organized into a hierarchical representation based on the pairwise distances between them. The hierarchical representation is then used to guide visual exploration of the density fields as well as the underlying surface features. We demonstrate the application of our method using isosurface in ensemble scalar fields, Lagrangian coherent structures in uncertain unsteady flows, and streamsurfaces in ensemble fluid flows.

Computational modeling↗
DOE OSTI2021

Energy Exascale Earth System Model v2.0

First release of version 2 of the Energy Exascale Earth System Model. The atmosphere component remains EAM. Major changes since version 1 include: all column-physics parameterizations are computed on a separate grid that has approximately half the number of points of the dynamics grid, a new nonhydrostatic dynamical core (running in hydrostatic mode) with semi-Lagrangian tracer transport, CLUBB updated from v1 to v2, a new convective trigger (dCAPE/ULL) based on the dynamic Convective Available Potential Energy (CAPE) (dCAPE) and the Unrestricted Launch Level (ULL) concepts is used in ZM. minimum cloud droplet number changed, gravity wave drag energy conservation fixed and new tunings used, dust emission size distribution changed to emit more coarse dust particles The land component is still ELM. Major changes since version 1 include: using SNICAR-AD for radiation in snow to match the sea-ice model and fixing bugs in snow compaction and water state calculation. The ocean component remains MPAS-ocean. Major change since version 1 include: Redi isopycnal mixing has been updated, tested, and tuned in combination with the Gent-McWilliams parameterization, a sign error was fixed in the 3rd-order flux routines, the mesh used in low-resolution coupled cases was modified and the time steps adjusted, new regionally refined meshes were created, one focused on North America and another on the Southern Ocean, including ice shelf cavities. The sea-ice component remains MPAS-seaice. Major changes since version 1 include: A new heat- and freshwater-conserving coupling of frazil ice, turning off of SSH filtering, addition of SNICAR-AD and snow grain aging. The land-ice component remains MPAS-Albany-landIce (MALI) and is a static ice sheet. There is more out-of-the-box support for cryosphere configurations including the new regionally refined configuration around Antarctica with ice shelf cavities. The river model is MOSART. The half-degree river mesh was redone so it no longer treats Black and Caspian seas as ocean. The coupler remains cpl7/MCT. Major changes since version 1 include handling of ice shelf melt fluxes (heat / freshwater exchange with the ocean), and data icebergs. All components allow regional refinement of their meshes and two separate example of refinement, one in and around North America and one around Antarctica and the Southern Ocean, are provided.

E3SM Project, DOE↗
DOE OSTI2024

Nonlinear Sigma model amplitudes to all loop orders are contained in the Tr ( Φ 3 ) theory

Scattering amplitudes for the simplest theory of colored scalar particles—the Tr ( Φ 3 ) theory—have recently been the subject of active investigations. In this work we describe an unanticipated wider implication of this work: the Tr ( Φ 3 ) theory secretly contains nonlinear sigma model (NLSM) amplitudes to all loop orders. The NLSM amplitudes are obtained from Tr ( Φ 3 ) amplitudes by a unique shift of kinematic variables. We show that this shifted kinematics produces amplitudes for a cubic theory with a linear term in the potential, with extrema spontaneously breaking U ( N ) → U ( N − k ) × U ( k ) . The Goldstone amplitudes for this theory coincide with those of pions in the U ( N ) × U ( N ) → U ( N ) chiral Lagrangian to all orders in the planar limit. We also give a purely on-shell understanding of this correspondence, showing that integrands defined by the kinematic shifts have the correct residues on poles and appropriately produce the Adler zero. Finally, we discuss how similar kinematic shifts produce certain infinite classes of mixed amplitudes of pions and Tr ( Φ 3 ) scalars, most of which are not interpretable from the Lagrangian description. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Super‐Droplet Method to Simulate Lagrangian Microphysics of Nuclear Fallout in a Homogeneous Cloud

Abstract Nuclear detonations produce hazardous local and global particles or fallout. Predicting fallout size, chemical components, and location is necessary to inform officials and determine immediate guidance for the public. However, existing nuclear detonation fallout models prescribe the particle size distributions based on limited observations. In this work, we apply the super‐droplet method, which is a numerical modeling technique developed for cloud microphysics, to simulate size distributions of particles in a mushroom cloud formed post‐detonation of a nuclear device. We model fallout formation and evolution with homogeneous nucleation and condensation of a single species and a Monte Carlo coagulation algorithm. We verify the numerical methods representing coagulation and condensation processes against analytical test problems. Additionally, we explore several scenarios for the integral system mass and yield in equivalent kilotons (kt) of TNT (trinitrotoluene). The fallout size distribution median diameter d pg follows a scaling law based on the integral system mass m v 0 kg and yield Y kt: nm. We test the effect of cloud turbulence, enhanced nucleation and growth, and vapor volatility with a sensitivity study. The range in median diameter predictions for simulations of historical tests performed over the Pacific encompass the measurements of particles sampled from the cloud caps. Predicted median particle size ranges up to 217, 123, 86, and 35 nm for historical tests with yields of 0.2, 0.7, 2, and 10 Mt, respectively. This work can be expanded in many different directions to build a more predictive model for fallout formation.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields

Reactive force fields provide an affordable model for simulating chemical reactions at a fraction of the cost of quantum mechanical approaches. However, classically accounting for chemical reactivity often comes at the expense of accuracy and transferability, while computational cost is still large relative to nonreactive force fields. Here, we summarize recent efforts for improving the performance of reactive force fields in these three areas with a focus on the ReaxFF theoretical model. To improve accuracy, we describe recent reformulations of charge equilibration schemes to overcome unphysical long-range charge transfer, new ReaxFF models that account for explicit electrons, and corrections for energy conservation issues of the ReaxFF model. To enhance transferability we also highlight new advances to include explicit treatment of electrons in the ReaxFF and hybrid nonreactive/reactive simulations that make it possible to model charge transfer, redox chemistry, and large systems such as reverse micelles within the framework of a reactive force field. To address the computational cost, we review recent work in extended Lagrangian schemes and matrix preconditioners for accelerating the charge equilibration method component of ReaxFF and improvements in its software performance in LAMMPS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

High-Performance Semiempirical Excited-State Molecular Dynamics Powered by Graphics Processing Units

Here, this Letter introduces excited-state molecular dynamics in PYSEQM, a GPU-accelerated semiempirical quantum chemistry engine implemented in PyTorch. The new module enables Born–Oppenheimer molecular dynamics (BOMD) using configuration-interaction singles and random phase approximation for excited states, allowing long trajectories and large statistical ensembles to be simulated efficiently on a single GPU. We also implement an extended Lagrangian excited-state BOMD (XL-ESMD) scheme that propagates auxiliary electronic variables, enabling relaxed ground and excited-state convergence thresholds without compromising energy conservation. The excited-state BOMD implementation scales smoothly from small chromophores to a nearly 900-atom dendrimer (taking 6.5 s per MD step). PYSEQM also supports batched execution, allowing many geometries or trajectories to be evaluated in a single GPU launch, substantially increasing throughput and making ensemble-based protocols routine. As a demonstration, we compute absorption, emission, and infrared spectra from trajectories propagated on the ground and first excited states. The XL-ESMD scheme yields identical spectra at significantly lower computational cost, establishing the role of extended Lagrangian based dynamics for efficient excited-state BOMD simulations. Beyond raw performance, PYSEQM’s PyTorch foundation provides automatic differentiation for forces, efficient GPU batching, and seamless interfacing with machine learning models. These capabilities position PYSEQM as a practical platform for machine learning-augmented excited-state dynamics and lay the foundation for future data-driven nonadiabatic excited-state dynamics modeling of ultrafast spectroscopic probes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

Particle Hydrodynamics with Material Strength for Multi-Layer Orbital Debris Shield Design

Three dimensional simulation of oblique hypervelocity impact on orbital debris shielding places extreme demands on computer resources. Research to date has shown that particle models provide the most accurate and efficient means for computer simulation of shield design problems. In order to employ a particle based modeling approach to the wall plate impact portion of the shield design problem, it is essential that particle codes be augmented to represent strength effects. This report describes augmentation of a Lagrangian particle hydrodynamics code developed by the principal investigator, to include strength effects, allowing for the entire shield impact problem to be represented using a single computer code.

Fahrenthold, Eric P.↗
NASA NTRS2003

Digital Particle Image Velocimetry (DPIV) Used for Space-Time Correlations in Nozzle Flow

An optical measurement technique known as Digital Particle Image Velocimetry (DPIV) was used previously to characterize the first- and second-order statistical properties of both cold and hot jet flows from externally mixed nozzles in NASA Glenn Research Center's Nozzle Acoustic Test Rig. In this technique, an electronic camera records particles entrained in a flow as a laser light sheet is pulsed at two instances in time. Correlation processing of the recorded particle image pairs yields the two-component velocity field across the imaged plane of the flow. The information acquired using DPIV is being used to improve our understanding of the decay of turbulence in jet flows-a critical element for understanding the acoustic properties of the flow. Recently, two independent DPIV systems were installed in Glenn's Small Hot Jet Acoustic Rig, enabling multiplane correlations in time and space. The data were collected over a range of different Mach numbers and temperature ratios. DPIV system 1 was fixed to a large traverse rig, and DPIV system 2 was mounted on a small traverse system mounted on the large traverse frame. The light sheets from the two DPIV systems were aligned to lie in the same axial plane, with DPIV system 2 being independently traversed downstream along the flow direction. For each measurement condition, the DPIV systems were started at a fully overlapping orientation. A polarization separation technique was used to avoid cross-talk between the two systems. Then, the DPIV systems fields were shifted axially apart, in successively increasing steps. The downstream DPIV system 2 was triggered at a short time delay after the upstream DPIV system 1, where the time delay was proportional to the convective flow velocity in the shear layer of the jet flow and the axial separation of the two DPIV systems. The acquired data were processed to obtain the instantaneous velocity vector maps over a range of time delays and spatial separations. The velocity fields from the different DPIV systems were then cross-correlated to determine the degree of correlation remaining in the flow as the downstream convection distance was increased. The new data provide Lagrangian measurements of the convective turbulent structures in the shear layer of an exhaust nozzle. These measurements, obtained in both cold and hot flows, will be used to validate and correct models for space-time velocity correlations-long a missing key to predicting jet noise.

Wernet, Mark P.↗
NASA NTRS1995

A test of a vortex method for the computation of flap side edge noise

Upon approach to landing, a major source location of airframe noise occurs at the side edges of the part span, trailing edge flaps. In the vicinity of these flaps, a complex arrangement of spanwise flow with primary and secondary tip vortices may form. Each of these vortices is observed to become fully three-dimensional. In the present study, a numerical model is developed to investigate the noise radiated from the side edge of a flap. The inherent three-dimensionality of this flow forces us to carefully consider a numerical scheme which will be both accurate in its prediction of the flow acoustics and also computationally efficient. Vortex methods have offered a fast and efficient means of simulating many two and three-dimensional, vortex dominated flows. In vortex methods, the time development of the flow is tracked by following exclusively the vorticity containing regions. Through the Biot-Savart law, knowledge of the vorticity field enables one to obtain flow quantities at any desired location during the flow evolution. In the present study, a numerical procedure has been developed which incorporates the Lagrangian approach of vortex methods into a calculation for the noise radiated by a flow-surface interaction. In particular, the noise generated by a vortex in the presence of a flat half plane is considered. This problem serves as a basic model of flap edge flow. It also permits the direct comparison between our computed results and previous acoustic analyses performed for this problem. In our numerical simulations, the mean flow is represented by the complex potential W(z) = Aiz(exp l/2), which is obtained through conformal mapping techniques. The magnitude of the mean flow is controlled by the parameter A. This mean flow has been used in the acoustic analysis by Hardin and is considered a reasonable model of the flow field in the vicinity of the edge and away from the leading and trailing edges of the flap. To represent the primary vortex which occurs near the flap, a point vortex is introduced just below the flat half plane. Using a technique from panel methods, boundary conditions on the flap surface are satisfied by the introduction of a row of stationary point vortices along the extent of the flap. At each time step in the calculation, the strength of these vortices is chosen to eliminate the normal velocity at intermediary collocation points. The time development of the overall flow field is then tracked using standard techniques from vortex methods. Vortex trajectories obtained through this computation are in good agreement with those predicted by the analytical solution given by Hardin, thus verifying the viability of this procedure for more complex flow arrangements. For the flow acoustics, the Ffowcs Williams-Hawkings equation is numerically integrated. This equation supplies the far field acoustic pressure based upon pressures occurring along the flap surface. With our vortex method solution, surface pressures may be obtained with exceptional resolution. The Ffowcs Williams-Hawkings equation is integrated using a spatially fourth order accurate Simpson's rule. Rational function interpolation is used to obtain the surface pressures at the appropriate retarded times. Comparisons between our numerical results for the acoustic pressure and those predicted by the Hardin analysis have been made. Preliminary results indicate the need for an improved integration technique. In the future, the numerical procedure developed in this study will be applied to the case of a rectangular flap of finite thickness and ultimately modified for application to the fully three-dimensional problem.

Martin, James E.↗
NASA NTRS2020

Modeling Heatshield Erosion due to Dust Particle Impacts for Martian Entries

Heatshield design for spacecraft entering the atmosphere of Mars may be affected by the presence of atmospheric dust. Particle impacts with sufficient kinetic energy can cause spallation damage to the heatshield that must be estimated. The dust environment in terms of particle size distribution and number density can be inferred from ground-based or atmospheric observations at Mars. Using a Lagrangian approach, the particle trajectories through the shock layer can be computed using a set of coupled ordinary differential equations. The dust particles are small enough that non-continuum effects must be accounted for when computing the drag coefficient and heat transfer to the particle surface. Surface damage correlations for impact crater diameter and penetration depth are presented for fused-silica, AVCOAT, Shuttle tiles, cork, and Norcoat Liège. The cork and Norcoat Liège correlations are new and were developed in this study. The modeling equations presented in this paper are applied to compute the heatshield erosion due to dust particle impacts on the ExoMars Schiaparelli entry capsule during dust storm conditions.

Palmer, Grant↗
NASA NTRS2020

Modeling Heatshield Erosion Due to Dust Particle Impacts for Martian Entries

Heatshield design for spacecraft entering the atmosphere of Mars may be affected by the presence of atmospheric dust. Particle impacts with sufficient kinetic energy can cause spallation damage to the heatshield that must be estimated. The dust environment in terms of particle size distribution and number density can be inferred from ground-based or atmospheric observations at Mars. Using a Lagrangian approach, the particle trajectories through the shock layer can be computed using a set of coupled ordinary differential equations. The dust particles are small enough that non-continuum effects must be accounted for when computing the drag coefficient and heat transfer to the particle surface. Surface damage correlations for impact crater diameter and penetration depth are presented for fused-silica, AVCOAT, Shuttle tiles, cork, and Norcoat Liège. The cork and Norcoat Liège correlations are new and were developed in this study. The modeling equations presented in this paper are applied to compute the heatshield erosion due to dust particle impacts on the ExoMars Schiaparelli entry capsule during dust storm conditions.

Palmer, Grant↗
NASA NTRS1984

Dynamics of narrow rings

The ring models described here were developed to account for the dynamical problems posed by the narrow rings of Uranus. Some of these rings are now known to be eccentric, inclined, nonuniform in width, optically thick, and narrow, with very sharp edges. The eccentric rings have common pericenters and large, positive eccentricity gradients. The theory of shepherding satellites successfully accounts for most of these features and can also account for some features of the narrow Saturnian rings, in particular, waves, kinks, and periodic variations in brightness. Outstanding problems include the putative relation between eccentricity and inclination displayed by eight of the nine Uranian rings, and the magnitudes of the tidal torques acting on the shepherding satellites. The horseshoe-orbit model, although viable, probably has more application to the narrow rings from which the Saturnian coorbital satellites formed. The angular momentum flow rate due to particle collisions is a minimum at the Lagrangian equilibrium points L(4) and L(5), and one can expect accretion to be rapid at these points.

Dermott, S. F.↗
DOE OSTI2024

Phase-Field Model Incorporating Large Inelastic Strain with Application to the Oxidation of High-Temperature Coating Systems

Structural metallic and ceramic materials at high temperatures often suffer from creep, fatigue and oxidation, which typically involves local large inelastic strain. The large strain is usually approached by Lagrangian-description-based finite deformation theory. Here we develop an efficient, Eulerian-description-based, Incremental Realization of Inelastic Deformation (IRID) algorithm to deal with large inelastic strain with small elastic strain. We apply this algorithm to simulate high temperature oxidation with severe volume expansion using a phase-field approach. The oxidation and deformation of bond coat can lead to spallation and failure of the thermal barrier coatings (TBC) and environmental barrier coatings (EBC), which is a critical concern in design of these coatings. We simulate the growth of thermally grown oxide (TGO) in these coating systems, with phase transformations and microstructure evolution incorporated. The simulation results are compared with relevant experimental reports in the literature.

Cheng, Tianle↗
DOE OSTI2022

Electroweak corrections to the Charm-Top-Quark Contribution to ϵ K

We calculate the leading-logarithmic and next-to-leading-logarithmic electroweak corrections to the charm-top-quark contribution to the effective |ΔS| = 2 Lagrangian, relevant for the parameter ϵ K . We find that these corrections lead to a –0.5% shift in the corresponding Wilson coefficient. Moreover, our calculation removes an implicit ambiguity in the standard-model prediction of ϵ K , by fixing the renormalization scheme of the electroweak input parameters.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Measurements of WH and ZH production in the $$H \rightarrow b\bar{b}$$ decay channel in pp collisions at $$13\,\text {Te}\text {V}$$ with the ATLAS detector

Measurements of the Standard Model Higgs boson decaying into a $$b\bar{b}$$ b b ¯ pair and produced in association with a W or Z boson decaying into leptons, using proton–proton collision data collected between 2015 and 2018 by the ATLAS detector, are presented. The measurements use collisions produced by the Large Hadron Collider at a centre-of-mass energy of $$\sqrt{s} = 13\,\text {Te}\text {V}$$ s = 13 Te , corresponding to an integrated luminosity of $$139\,\mathrm {fb}^{-1}$$ 139 fb - 1 . The production of a Higgs boson in association with a W or Z boson is established with observed (expected) significances of 4.0 (4.1) and 5.3 (5.1) standard deviations, respectively. Cross-sections of associated production of a Higgs boson decaying into bottom quark pairs with an electroweak gauge boson, W or Z , decaying into leptons are measured as a function of the gauge boson transverse momentum in kinematic fiducial volumes. The cross-section measurements are all consistent with the Standard Model expectations, and the total uncertainties vary from 30% in the high gauge boson transverse momentum regions to 85% in the low regions. Limits are subsequently set on the parameters of an effective Lagrangian sensitive to modifications of the WH and ZH processes as well as the Higgs boson decay into $$b\bar{b}$$ b b ¯ .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1983

Blade loss transient dynamics analysis with flexible bladed disk

The transient dynamic response of a flexible bladed disk on a flexible rotor in a two rotor system is formulated by modal synthesis and a Lagrangian approach. Only the nonequilibrated one diameter flexible mode is considered for the flexible bladed disk, while the two flexible rotors are represented by their normal modes. The flexible bladed disk motion is modeled as a combination of two one diameter standing waves, and is coupled inertially and gyroscopically to the flexible rotors. Application to a two rotor model shows that a flexible bladed disk on one rotor can be driven into resonance by an unbalance in the other rotor, and at a frequency equal to the difference in the rotor speeds.

Gallardo, V. C.↗