Search NASA⌕ Search

SEARCH · Search NASA

Results for “classical simulation”

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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Solving the homogeneous Bethe-Salpeter equation with a quantum annealer

The homogeneous Bethe-Salpeter equation (hBSE), describing a bound system in a genuinely relativistic quantum-field theory framework, was solved for the first time by using a D-Wave quantum annealer. After applying standard techniques of discretization, the hBSE, in ladder approximation, can be formally transformed in a generalized eigenvalue problem (GEVP), with two square matrices: one symmetric and the other nonsymmetric. The latter matrix poses the challenge of obtaining a suitable formal approach for investigating the GEVP by means of a quantum annealer, i.e., to recast it as a quadratic unconstrained binary optimization problem. A broad numerical analysis of the proposed algorithms, applied to matrices of dimension up to 64, was carried out by using both the simulated-annealing package and the D-Wave . The numerical results very nicely compare with those obtained with standard classical algorithms, and also show interesting scalability features. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2003

Small Signal Point-to-Point Tracking of a Propellant Mixer

This paper addresses some theoretical modelling and control issues for a mixing chamber used in rocket engine testing at NASA Stennis Space Center. The mixer is responsible for combining high pressure LH2 and GH2 to produce a hydrogen flow that meets certain thermodynamic properties before it is fed into a test article. The desired properties are maintained by precise control of the LH2 and GH2 flows. The mixer is modelled as a general multi-flow lumped volume for single constituent fluids using density and internal energy as states. The set of nonlinear differential equations is modelled in the SIMULINK environment including a table look-up feature of the fluid thermodynamic properties. a small-signal (linear) model is developed based on the nonlinear model and simulated as well. Pulse disturbances are introduced to the valve positions and the quality of the linear model is ascertained by comparing its behavior against the nonlinear model simulations. Valve control strategies that simulate an operator-in-the-loop scenario are then explored demonstrating the need for automatic feedback control. Finally, classical optimal single-output and multi-output Proportional/Integral controllers are designed based on the linear model and applied to the nonlinear model with excellent results to track simultaneous, constant setpoint changes in desired exit flow, exit temperature, and mixer pressure, as well as to reject unmeasurable but bounded additive step perturbations in the valve positions.

Barbieri, Enrique↗
NASA NTRS2006

Direct Numerical Simulation of Transitional Multicomponent-Species Gaseous and Multicomponent-Liquid Drop-Laden Mixing

A model of multicomponent-liquid (MC-liquid) drop evaporation in a three-dimensional mixing layer is here exercised at larger Reynolds numbers than in a previous study, and transitional states are obtained. The gas phase is followed in an Eulerian frame and the multitude of drops is described in a Lagrangian frame. Complete coupling between phases is included with source terms in the gas conservation equations accounting for the drop/flow interaction in terms of drop drag, drop heating and species evaporation. The liquid composition, initially specified as a single-Gamma (SG) probability distribution function (PDF) depending on the molar mass is allowed to evolve into a linear combination of two SGPDFs, called the double-Gamma PDF (DGPDF). The compositions of liquid and vapor emanating from the drops are calculated through four moments of the DGPDFs, which are drop-specific and location-specific, respectively. The mixing layer is initially excited to promote the double pairing of its four initial spanwise vortices into an ultimate vortex in which small scales proliferate. Simulations are performed for four liquids of different compositions and the effect of the initial mass loading and initial free-stream gas temperature are explored. For reference, Simulations are also performed for gaseous multicomponent mixing layers for which the effect of Reynolds number is investigated. The results encompass examination of the global layer characteristics, flow visualizations and homogeneous-plane statistics at transition. Comparisons are performed with previous pre-transitional MC-liquid simulations and with transitional single-component (SC) liquid studies. It is found that MCC flows at transition, the classical energy cascade is of similar strength, but that the smallest scales contain orders of magnitude less energy than SC flows, which is confirmed by the larger viscous dissipation in the former case. Contrasting to pre-transitional MC flows, the vorticity and drop organization depend on the initial gas temperature, this being due to the drop/turbulence coupling. The vapor-composition mean molar mass and standard deviation distributions strongly correlate with the initial liquid-composition PDF; such a correlation only exists for the magnitude of the mean but not for that of the standard deviation. Unlike in pre-transitional situations, regions of large composition standard deviation no longer necessarily coincide with regions of large mean molar mass. The kinetic energy, rotational and composition characteristics, and dissipation are liquid specific and the variation among liquids is amplified with increasing free-stream gas temperature. Eulerian and Lagrangian statistics of gas-phase quantities show that the different. Observation framework may affect the perception of the flow characteristics. The gas composition, of which the first four moments are calculated, is shown to be close to, but distinct from a SGPDF. The PDF of the scalar dissipation rate is calculated for drop-laden layers and is shown to depart more significantly from the typically assumed Gaussian in gaseous flows than experimentally measured gaseous scalar dissipation rates, this being attributed to the increased heterogeneity due to drop/flow interactions.

tubulent multicompenent-species↗
DOE OSTI2024

Effects of Nonequilibrium Atomic Structure on Ionic Diffusivity in LLZO: A Classical and Machine Learning Molecular Dynamics Study

To improve the performance of electrochemical devices, it is essential to understand the effects of nonequilibrium motifs in solids, such as grain boundaries, amorphous phases, and highly strained regions, on atomic-scale transport and stability. Molecular dynamics simulations are used to explore the combined effect of far-from-equilibrium atomic structures and the choice of interatomic potential on ionic diffusivity predictions for Li 7 La 3 Zr 2 O 12 (LLZO), a promising solid electrolyte for all-solid-state batteries. Amorphization and high strain are considered using both classical Buckingham interatomic potentials and machine learning force fields. Here we find that both crystalline expansion and amorphization tend to slow diffusion, although the different physical encodings in the two potentials impact the properties in different ways. We trace these variations to a combination of structural and transport factors, the contributions of which are deconvoluted computationally. Graph-based analysis reveals that the variations for amorphous LLZO arise from the connectivity of diffusion pathways within the predicted structures, which generally correlates with diffusivity and is notably higher for structures generated by the machine learning force fields. Our study provides additional insight into the relationship between atomic structure and diffusivity in LLZO, while also highlighting the need for care in choosing and validating potentials to simulate far from equilibrium structures.

25 ENERGY STORAGE↗
DOE OSTI2026

Quantum simulation of QED in Coulomb gauge

A recent work considered quantum simulation of Quantum Electrodynamics on a lattice in the Coulomb gauge with gauge degrees of freedom represented in the occupation basis in momentum space. In this work, we consider the more efficient representation of the gauge degrees of freedom in field basis in position space and develop a quantum algorithm for real-time simulation. We show that the continuum Coulomb gauge Hamiltonian is equivalent to the temporal gauge Hamiltonian when acting on physical states consisting of fermion and transverse gauge fields. The Coulomb gauge Hamiltonian is discretized by using the Green’s function of the discrete Laplacian operator under the Dirichlet boundary conditions. Both the continuum Coulomb gauge Hamiltonian and the discretized one proposed here guarantee that the unphysical longitudinal gauge fields are decoupled and commute with the corresponding Hamiltonian. Thus there is no need to impose any constraint. The local gauge field basis and the canonically conjugate variable basis are swapped efficiently using the quantum Fourier transform. We prove that the qubit cost to represent physical states and the gate count for real-time simulation scale polynomially with the lattice size, energy, time, accuracy, and Hamiltonian parameters in lattice units. The gate cost here for implementing the time evolution of the gauge field is reduced at least by a factor on the order of 10 8 for modest lattice size and accuracy level compared with the previous work.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1989

Parallel conjugate gradient algorithms for manipulator dynamic simulation

Parallel conjugate gradient algorithms for the computation of multibody dynamics are developed for the specialized case of a robot manipulator. For an n-dimensional positive-definite linear system, the Classical Conjugate Gradient (CCG) algorithms are guaranteed to converge in n iterations, each with a computation cost of O(n); this leads to a total computational cost of O(n sq) on a serial processor. A conjugate gradient algorithms is presented that provide greater efficiency using a preconditioner, which reduces the number of iterations required, and by exploiting parallelism, which reduces the cost of each iteration. Two Preconditioned Conjugate Gradient (PCG) algorithms are proposed which respectively use a diagonal and a tridiagonal matrix, composed of the diagonal and tridiagonal elements of the mass matrix, as preconditioners. Parallel algorithms are developed to compute the preconditioners and their inversions in O(log sub 2 n) steps using n processors. A parallel algorithm is also presented which, on the same architecture, achieves the computational time of O(log sub 2 n) for each iteration. Simulation results for a seven degree-of-freedom manipulator are presented. Variants of the proposed algorithms are also developed which can be efficiently implemented on the Robot Mathematics Processor (RMP).

Fijany, Amir↗
NASA NTRS1992

Theoretical simulation of a 2 micron airborne solid state laser anemometer

In the near future, military aircraft will need to know precisely their true airspeed in order to optimize flight conditions. In comparison with classical anemometer probes, an airborne Doppler lidar allows measurement of the air velocity without influence from aircraft aerodynamic disturbance. While several demonstration systems of heterodyne detection using a CO2 laser have been reported, improvements in the technology of solid state lasers have recently opened up the possibility that these devices can be used as an alternative to CO2 laser systems. In particular, a diode pumped Tm:Ho:YAG laser allows a reliable compact airborne system with an eye safe wavelength (lambda = 2.09 microns) to be achieved. The theoretical study of performances of a coherent lidar using a solid state diode pumped Tm:Ho:YAG laser, caled SALSA, for measuring aircraft airspeed relative to atmospheric aerosols is described. A computer simulation was developed in order to modelize the Doppler anemometer in the function of atmospheric propagation and optical design. A clever analysis of the power budget on the detector area allows optical characteristic parameters of the system to be calculated, and then it can be used to predict performances of the Doppler system. Estimating signal to noise ratios (SNR) and heterodyne efficiency provides the available energy of speed measurement as well as a useful measurement of the alignment of the backscattered and reference fields on the detector.

Imbert, Beatrice↗
NASA NTRS2012

Determining Wheel-Soil Interaction Loads Using a Meshfree Finite Element Approach Assisting Future Missions with Rover Wheel Design

A wheel experiencing sinkage and slippage events poses a high risk to rover missions as evidenced by recent mobility challenges on the Mars Exploration Rover (MER) project. Because several factors contribute to wheel sinkage and slippage conditions such as soil composition, large deformation soil behavior, wheel geometry, nonlinear contact forces, terrain irregularity, etc., there are significant benefits to modeling these events to a sufficient degree of complexity. For the purposes of modeling wheel sinkage and slippage at an engineering scale, meshfree finite element approaches enable simulations that capture sufficient detail of wheel-soil interaction while remaining computationally feasible. This study demonstrates some of the large deformation modeling capability of meshfree methods and the realistic solutions obtained by accounting for the soil material properties. A benchmark wheel-soil interaction problem is developed and analyzed using a specific class of meshfree methods called Reproducing Kernel Particle Method (RKPM). The benchmark problem is also analyzed using a commercially available finite element approach with Lagrangian meshing for comparison. RKPM results are comparable to classical pressure-sinkage terramechanics relationships proposed by Bekker-Wong. Pending experimental calibration by future work, the meshfree modeling technique will be a viable simulation tool for trade studies assisting rover wheel design.

Contreras, Michael T.↗
NASA NTRS1998

Multi-Dimensional Quantum Effect Simulation Using a Density-Gradient Model and Script-Level Programming Techniques

A density-gradient (DG) model is used to calculate quantum-mechanical corrections to classical carrier transport in MOS (Metal Oxide Semiconductor) inversion/accumulation layers. The model is compared to measured data and to a fully self-consistent coupled Schrodinger and Poisson equation (SCSP) solver. Good agreement is demonstrated for MOS capacitors with gate oxide as thin as 21 A. It is then applied to study carrier distribution in ultra short MOSFETs (Metal Oxide Semiconductor Field Effect Transistor) with surface roughness. This work represents the first implementation of the DG formulation on multidimensional unstructured meshes. It was enabled by a powerful scripting approach which provides an easy-to-use and flexible framework for solving the fourth-order PDEs (Partial Differential Equation) of the DG model.

Rafferty, Connor S.↗
NASA NTRS1984

Computer simulation of surface and film processes

All the investigations which were performed employed in one way or another a computer simulation technique based on atomistic level considerations. In general, three types of simulation methods were used for modeling systems with discrete particles that interact via well defined potential functions: molecular dynamics (a general method for solving the classical equations of motion of a model system); Monte Carlo (the use of Markov chain ensemble averaging technique to model equilibrium properties of a system); and molecular statics (provides properties of a system at T = 0 K). The effects of three-body forces on the vibrational frequencies of triatomic cluster were investigated. The multilayer relaxation phenomena for low index planes of an fcc crystal was analyzed also as a function of the three-body interactions. Various surface properties for Si and SiC system were calculated. Results obtained from static simulation calculations for slip formation were presented. The more elaborate molecular dynamics calculations on the propagation of cracks in two-dimensional systems were outlined.

Tiller, W. A.↗
NASA NTRS2015

Lunar Orbit Stability for Small Satellite Mission Design

The irregular nature of the lunar gravity field will severely affect the orbit lifetime and behavior of future lunar small satellite missions. These spacecraft need stable orbits that do not require large deltaV budgets for station-keeping maneuvers. The initial classical elements of any lunar orbit are critical to address its stability and to comply with mission requirements. This publication identifies stable regions according to different initial conditions at the time of lunar orbit insertion (LOI). High fidelity numerical simulations with two different gravity models were performed. We focus in low altitude orbits where the dominant force in orbit propagation is the existence of unevenly distributed lunar mass concentrations. These orbits follow a periodic oscillation in some of the classical elements that is particularly useful for mission design. A set of orbital maintenance strategies for various mission concepts is presented.

Lunar Science↗
DOE OSTI2025

Efficient Quantum Gibbs Samplers with Kubo–Martin–Schwinger Detailed Balance Condition

Lindblad dynamics and other open-system dynamics provide a promising path towards efficient Gibbs sampling on quantum computers. In these proposals, the Lindbladian is obtained via an algorithmic construction akin to designing an artificial thermostat in classical Monte Carlo or molecular dynamics methods, rather than being treated as an approximation to weakly coupled system-bath unitary dynamics. Recently, Chen, Kastoryano, and Gilyén (arXiv:2311.09207) introduced the first efficiently implementable Lindbladian satisfying the Kubo–Martin–Schwinger (KMS) detailed balance condition, which ensures that the Gibbs state is a fixed point of the dynamics and is applicable to non-commuting Hamiltonians. This Gibbs sampler uses a continuously parameterized set of jump operators, and the energy resolution required for implementing each jump operator depends only logarithmically on the precision and the mixing time. In this work, we build upon the structural characterization of KMS detailed balanced Lindbladians by Fagnola and Umanità, and develop a family of efficient quantum Gibbs samplers using a finite set of jump operators (the number can be as few as one), akin to the classical Markov chain-based sampling algorithm. Compared to the existing works, our quantum Gibbs samplers have a comparable quantum simulation cost but with greater design flexibility and a much simpler implementation and error analysis. Moreover, it encompasses the construction of Chen, Kastoryano, and Gilyén as a special instance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Cheaper and more noise-resilient quantum state preparation using eigenvector continuation

Subspace methods are powerful, noise-resilient methods that can effectively prepare ground states on quantum computers. The challenge is to get a subspace with a small condition number that spans the states of interest using minimal quantum resources. In this work, we will use eigenvector continuation to build a subspace from the low-lying states of a set of Hamiltonians. The basis vectors are prepared using truncated versions of standard state preparation methods such as imaginary-time evolution (ITE), adiabatic state preparation (ASP), and variational quantum eigensolver. By using these truncated methods combined with eigenvector continuation, we can directly improve upon them, obtaining more accurate ground-state energies at a reduced cost. We use several spin systems to demonstrate convergence even when methods like ITE and ASP fail, such as ASP in the presence of level crossings and ITE with vanishing energy gaps. We also showcase the noise resilience of this approach beyond the gains already made by having shallower quantum circuits. Furthermore, our findings suggest that eigenvector continuation can be used to improve existing state preparation methods in the near term.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1975

Analysis of a semiclassical model for rotational transition probabilities

A semiclassical model proposed by Pearson and Hansen (1974) for computing collision-induced transition probabilities in diatomic molecules is tested by the direct-simulation Monte Carlo method. Specifically, this model is described by point centers of repulsion for collision dynamics, and the resulting classical trajectories are used in conjunction with the Schroedinger equation for a rigid-rotator harmonic oscillator to compute the rotational energy transition probabilities necessary to evaluate the rotation-translation exchange phenomena. It is assumed that a single, average energy spacing exists between the initial state and possible final states for a given collision.

Deiwert, G. S.↗
NASA NTRS1990

Fourier analysis and signal processing by use of the Moebius inversion formula

A novel Fourier technique for digital signal processing is developed. This approach to Fourier analysis is based on the number-theoretic method of the Moebius inversion of series. The Fourier transform method developed is shown also to yield the convolution of two signals. A computer simulation shows that this method for finding Fourier coefficients is quite suitable for digital signal processing. It competes with the classical FFT (fast Fourier transform) approach in terms of accuracy, complexity, and speed.

Reed, Irving S.↗
NASA NTRS1992

Numerical simulation of MPD thruster flows with anomalous transport

Anomalous transport effects in an Ar self-field coaxial MPD thruster are presently studied by means of a fully 2D two-fluid numerical code; its calculations are extended to a range of typical operating conditions. An effort is made to compare the spatial distribution of the steady state flow and field properties and thruster power-dissipation values for simulation runs with and without anomalous transport. A conductivity law based on the nonlinear saturation of lower hybrid current-driven instability is used for the calculations. Anomalous-transport simulation runs have indicated that the resistivity in specific areas of the discharge is significantly higher than that calculated in classical runs.

Caldo, Giuliano↗
NASA NTRS2000

Aeroacoustics Computation for Nearly Fully Expanded Supersonic Jets Using the CE/SE Method

In this paper, the space-time conservation element solution element (CE/SE) method is tested in the classical axisymmetric jet instability problem, rendering good agreement with the linear theory. The CE/SE method is then applied to numerical simulations of several nearly fully expanded axisymmetric jet flows and their noise fields and qualitative agreement with available experimental and theoretical results is demonstrated.

Loh, Ching Y.↗
NASA NTRS2003

Comparisons and Contrasts Between Mediterranean Flood-Producing Orographic Storms and Tropical Cyclones Modified by Complex Orography

Often, late-year, flood-producing storms in the Mediterranean Alps region arise from baroclinic disturbances developing on westerly longwaves, with the incipient storm circulations appearing well west of the flood zone. Regardless of the genesis locations and before the storms begin their flow interactions with the orography of the Mediterranean Alps, a process which can produce intense long-lived rainfall over the mountainous terrain of Italy and France, most of their moisture is drawn from warm Mediterranean waters while important elements of their thermodynamic structure are derived from airmass properties originating in north Africa and the Mediterranean basin itself. In fact, because of strong thermodynamic contrasts between the baroclinic zone producing the incipient disturbance and high potential temperature air from the south advecting into and wrapping around the storm center, a Mediterranean storm whose origins are from an evolving shortwave baroclinic perturbation, can become a quasi-warm core hybrid in term of its energetics composition, a process somewhat akin to the development of polar lows. This process begs the question of whether there are similarities between the autumn-winter season flood producing storms of the Mediterranean Alps and warm core tropical cyclones which become altered dynamically and thermodynamically by landfall over steep orographic terrain. This study investigates, from a comparison and contrast perspective, how the similarities and differences between the two types of storms manifest themselves over their respective life cycles. Before the orographically-induced precipitation-release stage in which both types of storm have evolved to the same hydrometeorlogical conclusion, the two storm categories are transforming from entirely distinctive origins, i.e., the classic eastward traveling, baroclinic mid-latitude cyclone forming in western Europe, and the classic eastward-traveling, warm core tropical cyclone developing in the western Pacific. The analyses use high resolution, nonhydrostatic model simulations, satellite data, and various types of ground data to conduct the study. The flood events of Piemonte- 2000 in northern Italy and Typhoon Rusa-2002 in South Korea are selected to focus the analysis on well documented meteorological events.

Smith, Eric A.↗