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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Simulation Models for Exploring Magnetic Reconnection

Simulations have played a critical role in the advancement of our knowledge of magnetic reconnection. However, due to the inherently multiscale nature of reconnection, it is impossible to simulate all physics at all scales. For this reason, a wide range of simulation methods have been crafted to study particular aspects and consequences of magnetic reconnection. This article reviews many of these methods, laying out critical assumptions, numerical techniques, and giving examples of scientific results. Plasma models described include magnetohydrodynamics (MHD), Hall MHD, Hybrid, kinetic particle-in-cell (PIC), kinetic Vlasov, Fluid models with embedded PIC, Fluid models with direct feedback from energetic populations, and the Rice Convection Model (RCM).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Equation of state of dense plasmas: Orbital-free molecular dynamics as the limit of quantum molecular dynamics for high-Z elements

The applicability of quantum molecular dynamics to the calculation of the equation of state of a dense plasma is limited at high temperature by computational cost. Orbital-free molecular dynamics, based on a semiclassical approximation and possibly on a gradient correction, is a simulation method available at high temperature. For a high-Z element such as lutetium, we examine how orbital-free molecular dynamics applied to the equation of state of a dense plasma can be regarded as the limit of quantum molecular dynamics at high temperature. For the normal mass density and twice the normal mass density, we show that the pressures calculated with the quantum approach converge monotonically towards those calculated with the orbital-free approach; we observe a faster convergence when the orbital-free approach includes the gradient correction. We propose a method to obtain an equation of state reproducing quantum molecular dynamics results up to high temperatures where this approach cannot be directly implemented. With the results already obtained for low-Z plasmas, the present study opens the way for reproducing the quantum molecular dynamics pressure for all elements up to high temperatures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Quantum Computation of Dynamical Quantum Phase Transitions and Entanglement Tomography in a Lattice Gauge Theory

Strongly coupled gauge theories far from equilibrium may exhibit unique features that could illuminate the physics of the early universe and of hadron and ion colliders. Studying real-time phenomena has proven challenging with classical-simulation methods but is a natural application of quantum simulation. To demonstrate this prospect, we quantum compute nonequal-time correlation functions and perform entanglement tomography of nonequilibrium states of a simple lattice gauge theory, the Schwinger model, using a trapped-ion quantum computer by IonQ Inc. As an ideal target for near-term devices, a recently predicted dynamical quantum phase transition in this model is studied by preparing, quenching, and tracking the subsequent nonequilibrium dynamics in three ways: (i) overlap echos signaling dynamical transitions, (ii) nonequal-time correlation functions with an underlying topological nature, and (iii) the entanglement structure of nonequilibrium states, including entanglement Hamiltonians. These results constitute the first observation of a dynamical quantum phase transition in a lattice gauge theory on a quantum computer and are a first step toward investigating topological phenomena in nuclear and high-energy physics using quantum technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Multiscale thermal hydraulic coupling methods for boiling water reactor simulation

During the last two years, the Virtual Environment for Reactor Applications (VERA) has been extended to simulate boiling water reactors (BWRs). The thermal hydraulic effects present in BWRs are far more complex than those in pressurized water reactors (PWRs). Therefore, the runtime is significantly increase and convergence behavior worse compared to PWRs. Most of the additional runtime is spent during the first few coupled iterations, when the power shape is still rapidly evolving, dramatically affecting the thermal hydraulics (TH). To alleviate the increased computational expense, a multiscale TH coupling approach was developed in VERA in which a highly efficient, simplified TH model is solved for several coupled iterations until the power shape is partially converged. The simplified solution is used to inform the assembly-wise flow distribution in the high-fidelity TH solver CTF, reducing the amount of work required to properly balance the pressure drop in each channel and reducing runtime for the couple calculation. Because the final TH calculations are performed with CTF, there is ultimately no impact on the accuracy of the converged solution. This paper presents the details of this multiscale TH coupling approach, along with results for a 4x4 array of GE-14 fuel bundles and whole-core coupled simulations of the Hatch core. These two cases show that the multiscale approach dramatically reduces the runtime of coupled BWR simulations. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1986

Computer simulation of on-orbit manned maneuvering unit operations

Simulation of spacecraft on-orbit operations is discussed in reference to Martin Marietta's Space Operations Simulation laboratory's use of computer software models to drive a six-degree-of-freedom moving base carriage and two target gimbal systems. In particular, key simulation issues and related computer software models associated with providing real-time, man-in-the-loop simulations of the Manned Maneuvering Unit (MMU) are addressed with special attention given to how effectively these models and motion systems simulate the MMU's actual on-orbit operations. The weightless effects of the space environment require the development of entirely new devices for locomotion. Since the access to space is very limited, it is necessary to design, build, and test these new devices within the physical constraints of earth using simulators. The simulation method that is discussed here is the technique of using computer software models to drive a Moving Base Carriage (MBC) that is capable of providing simultaneous six-degree-of-freedom motions. This method, utilized at Martin Marietta's Space Operations Simulation (SOS) laboratory, provides the ability to simulate the operation of manned spacecraft, provides the pilot with proper three-dimensional visual cues, and allows training of on-orbit operations. The purpose here is to discuss significant MMU simulation issues, the related models that were developed in response to these issues and how effectively these models simulate the MMU's actual on-orbiter operations.

Stuart, G. M.↗
NASA NTRS1995

Narrowband land mobile satellite channel modeling

The subject of this paper is the development of a generalized analog model for the narrowband Land Mobile Satellite Channel (LMSC). It is based on the model proposed by Lutz, the 3-dimensional scattering model of Aulin and the multipath interference simulation method proposed by Jakes. Statistical tests of the simulated data show excellent agreement with the expected distributions whereas the power spectrum predicted by Aulin is duplicated in a discrete manner.

Kanatas, A. G.↗
DOE OSTI2021

SNS Warm Linac Circulator Breakdown Considerations for the PPU Project

Multipacting in accelerating structures is a complex phenomenon about which there is much to be understood. While multipacting research efforts have primarily been focused on superconducting radio frequency (SRF) systems, normal conducting accelerating structures which have a higher thermal capacity, and a greater vacuum pressure tolerance could benefit from additional investigation. This research details multipacting simulation methods and the results of 3-D electromagnetic simulations of RF vacuum windows used on normal conducting linac (NCL) cavities. Benchmarking of the peak electric fields in these structures, benefits of material processing and possible techniques for reducing or eliminating multipacting activities are discussed.

Toby, George↗
DOE OSTI2021

Multipacting Analysis of Warm Linac RF Vacuum Windows

Multipacting in accelerating structures is a complex phenomenon with which there is much to be understood. While multipacting research efforts have primarily been focused on superconducting radio frequency (SRF) systems, normal conducting accelerating structures that have a higher thermal capacity and a greater vacuum pressure tolerance could benefit from additional investigation. This research details multipacting simulation methods and the results of 3-D electromagnetic simulations of RF vacuum windows used on normal conducting linac (NCL) cavities. Possible techniques for reducing and eliminating multipacting activities in these structures are discussed.

Toby, George↗
NASA NTRS1991

High-performance multiprocessor architecture for a 3-D lattice gas model

The lattice gas method has recently emerged as a promising discrete particle simulation method in areas such as fluid dynamics. We present a very high-performance scalable multiprocessor architecture, called ALGE, proposed for the simulation of a realistic 3-D lattice gas model, Henon's 24-bit FCHC isometric model. Each of these VLSI processors is as powerful as a CRAY-2 for this application. ALGE is scalable in the sense that it achieves linear speedup for both fixed and increasing problem sizes with more processors. The core computation of a lattice gas model consists of many repetitions of two alternating phases: particle collision and propagation. Functional decomposition by symmetry group and virtual move are the respective keys to efficient implementation of collision and propagation.

Lee, F.↗
DOE OSTI2015

Analysis and simulation for a model of electron impact excitation/deexcitation and ionization/recombination

This paper describes a kinetic model and a corresponding Monte Carlo simulation method for excitation/deexcitation and ionization/recombination by electron impact in a plasma free of external fields. The atoms and ions in the plasma are represented by continuum densities and the electrons by a particle distribution. A Boltzmann-type equation is formulated and a corresponding H-theorem is formally derived. An efficient Monte Carlo method is developed for an idealized analytic model of the excitation and ionization collision cross sections. To accelerate the simulation, the reduced rejection method and binary search method are used to overcome the singular rate in the recombination process. Numerical results are presented to demonstrate the efficiency of the method on spatially homogeneous problems. The evolution of the electron distribution function and atomic states is studied, revealing the possibility under certain circumstances of system relaxation towards stationary states that are not the equilibrium states, a potential non-ergodic behavior.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1993

Three-dimensional hypersonic rarefied flow calculations using direct simulation Monte Carlo method

A summary of three-dimensional simulations on the hypersonic rarefied flows in an effort to understand the highly nonequilibrium flows about space vehicles entering the Earth's atmosphere for a realistic estimation of the aerothermal loads is presented. Calculations are performed using the direct simulation Monte Carlo method with a five-species reacting gas model, which accounts for rotational and vibrational internal energies. Results are obtained for the external flows about various bodies in the transitional flow regime. For the cases considered, convective heating, flowfield structure and overall aerodynamic coefficients are presented and comparisons are made with the available experimental data. The agreement between the calculated and measured results are very good.

Celenligil, M. Cevdet↗
NASA NTRS1988

Fiber Composite Sandwich Thermostructural Behavior - Computational Simulation

Four computational simulation methods with different levels of sophistication were used to simulate thermal behavior and structural changes of composite sandwich panels with a honeycomb core subjected to a variety of environmental effects. The models on thich these methods are based include three-dimensional finite-element modeling, three-dimensional finite-element modeling assuming a homogeneous core, laminate theory, and simple equations for predicting the equivalent properties of the honeycomb core. A procedure was developed and embedded in a composite mechanics computer code, which made it possile to conduct parametric studies to determine 'optimum' composite sandwich configurations for specific applications. The procedure was applied for the evaluation of composite sandwich behavior at the global, local, laminate, ply, and micromechanics levels when the composite sandwich is subjected to hygral, thermal, and mechanical loading environments.

Chamis, Christos C.↗
DOE OSTI2016

Electron-phonon thermalization in a scalable method for real-time quantum dynamics

Here, we present a quantum simulation method that follows the dynamics of out-of-equilibrium many-body systems of electrons and oscillators in real time. Its cost is linear in the number of oscillators and it can probe time scales from attoseconds to hundreds of picoseconds. Contrary to Ehrenfest dynamics, it can thermalize starting from a variety of initial conditions, including electronic population inversion. While an electronic temperature can be defined in terms of a nonequilibrium entropy, a Fermi-Dirac distribution in general emerges only after thermalization. These results can be used to construct a kinetic model of electron-phonon equilibration based on the explicit quantum dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

SU-E-T-358: Monte Carlo Dose Calculation of Small Field Electron Beams

Purpose: Dynamic radiotherapy involving electron beams such as Dynamic Electron Arc Radiotherapy (DEAR) requires accurate dose modelling of small field sizes, similar to the requirement of IMRT field on the small photon field. The current commercial electron Monte Carlo algorithms such as eMC v11 in Eclipse were developed for standard field sizes and do not support the planning of dynamic therapy yet. The purpose of this study is to develop a method to accurately model small field electron beam dosimetry using Monte Carlo simulations. Methods: Comparison between eMC, phantom measurements (diode), and Monte Carlo (MC) simulations (BEAMnrc/DOSYZnrc) were performed for a Varian TrueBeam linac. MC simulations utilized Varian TrueBeam phase space files which had been validated in another study. Static single small field was assessed by comparing dose distributions in water for a 16 MeV beam for circular (2 cm diameter) and rectangular (1×10 cm{sup 2}) cut-out. MC was performed with a resolution of 2.5×2.5×2 mm{sup 2} and statistical uncertainty < 4%. The dose distribution was averaged over adjacent bins to improve precision. Depth dose and orthogonal profiles were evaluated. Results: Small field PDDs differ from those with standard cones. For both circular and rectangular cutouts, the difference in range R8 0-R1 0 is less than 2 mm and in dose within 2%. For the orthogonal profiles, field size and penumbra differences were within 1 mm at depth of maximum dose. The eMC displayed a distinctive “step” in the out-field dose profile in disagreement with both measurement and MC results and needs further investigation. Conclusion: MC was able to characterize the small field dosimetry with good agreement with the measurement data, and thus offers the opportunity for treatment planning of dynamic radiotherapy. Analyses for all other electron energies and cut-out sizes are under way and results will be included in the presentation.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2017

A fast mollified impulse method for biomolecular atomistic simulations

Classical integration methods for molecular dynamics are inherently limited due to resonance phenomena occurring at certain time-step sizes. The mollified impulse method can partially avoid this problem by using appropriate filters based on averaging or projection techniques. However, existing filters are computationally expensive and tedious in implementation since they require either analytical Hessians or they need to solve nonlinear systems from constraints. In this work we follow a different approach based on corotation for the construction of a new filter for (flexible) biomolecular simulations. The main advantages of the proposed filter are its excellent stability properties and ease of implementation in standard softwares without Hessians or solving constraint systems. By simulating multiple realistic examples such as peptide, protein, ice equilibrium and ice–ice friction, the new filter is shown to speed up the computations of long-range interactions by approximately 20%. The proposed filtered integrators allow step sizes as large as 10 fs while keeping the energy drift less than 1% on a 50 ps simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1991

Physical lumping methods for developing linear reduced models for high speed propulsion systems

In gasdynamic systems, information travels in one direction for supersonic flow and in both directions for subsonic flow. A shock occurs at the transition from supersonic to subsonic flow. Thus, to simulate these systems, any simulation method implemented for the quasi-one-dimensional Euler equations must have the ability to capture the shock. In this paper, a technique combining both backward and central differencing is presented. The equations are subsequently linearized about an operating point and formulated into a linear state space model. After proper implementation of the boundary conditions, the model order is reduced from 123 to less than 10 using the Schur method of balancing. Simulations comparing frequency and step response of the reduced order model and the original system models are presented.

Immel, S. M.↗
DOE OSTI2018

Investigation on Vibration Response of Aluminum Foam Beams Using Speckle Interferometry

This paper firstly presents a brief review on the representations of speckle fringe pattern in vibration measurement using time-averaged electronic speckle pattern interference (ESPI) method. Based on laser phase noise, a new representation of speckle fringe intensity generated by real-time subtraction ESPI method for vibrating measurement is then proposed. In the experimental performance, the real-time subtraction ESPI method is employed to inspect the vibrating response of a closed-cell aluminum foam cantilever beam. In contract with the results of the finite elemental method simulation, the vibration mode shapes obtained by the ESPI method are well agreed with numerical prediction. The optical vibration analysis is also carried out to determine the effective Young’s modulus of aluminum foam, and the results verify the validation of the ESPI method for investigation on mechanical properties of metal foam materials.

36 MATERIALS SCIENCE↗