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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Domain-specific compilers for dynamic simulations of quantum materials on quantum computers

Abstract Simulation of the dynamics of quantum materials is emerging as a promising scientific application for noisy intermediate-scale quantum (NISQ) computers. Due to their high gate-error rates and short decoherence times, however, NISQ computers can only produce high-fidelity results for those quantum circuits smaller than some given circuit size. Dynamic simulations, therefore, pose a challenge as current algorithms produce circuits that grow in size with each subsequent time-step of the simulation. This underscores the crucial role of quantum circuit compilers to produce executable quantum circuits of minimal size, thereby maximizing the range of physical phenomena that can be studied within the NISQ fidelity budget. Here, we present two domain-specific (DS) quantum circuit compilers for the Rigetti and IBM quantum computers, specifically designed to compile circuits simulating dynamics under a special class of time-dependent Hamiltonians. The compilers outperform state-of-the-art general-purpose compilers in terms of circuit size reduction by around 25%–30% as well as wall-clock compilation time by around 40% (dependent on system size and simulation time-step). Drawing on heuristic techniques commonly used in artificial intelligence, both compilers scale well with simulation time-step and system size. Code for both compilers is open-source and packaged into a full-stack quantum simulation software with tutorials included for ease of use for future researchers wishing to perform dynamic simulations of quantum materials on quantum computers. As our DS compilers provide significant improvements in both compilation time and simulation fidelity, they provide a building block for accelerating progress toward physical quantum supremacy.

Physics↗
NASA NTRS1979

Computer modeling of events in the inner magnetosphere

The first effort at computer simulating the behavior of the inner magnetosphere during a substorm-type event on 19 September 1976 was completed. The computer model simulates many aspects of the behavior of the closed-field-line portion of the earth's magnetosphere, and the auroral and subauroral ionosphere. For these regions, the program self-consistently computes electric fields, electric currents, hot-plasma densities, plasma flow velocities and other parameters. Highlights of the results of our event simulation are presented. Predicted electric fields for several times during the event agree reasonably well with corresponding data from satellite S3-2. Detailed discussion is presented for a case of rapid subauroral flow that was observed on one S3-2 pass and is predicted by the computer runs. The computed global distribution of Birkeland current agrees reasonably well with the observations of Iijima and Potemra.

Harel, M.↗
DOE OSTI2020

Deep learning for NLTE spectral opacities

Computer simulations of high energy density science experiments are computationally challenging, consisting of multiple physics calculations including radiation transport, hydrodynamics, atomic physics, nuclear reactions, laser–plasma interactions, and more. To simulate inertial confinement fusion (ICF) experiments at high fidelity, each of these physics calculations should be as detailed as possible. However, this quickly becomes too computationally expensive even for modern supercomputers, and thus many simplifying assumptions are made to reduce the required computational time. Much of the research has focused on acceleration techniques for the various packages in multiphysics codes. In this work, we explore a novel method for accelerating physics packages via machine learning. The non-local thermodynamic equilibrium (NLTE) package is one of the most expensive calculations in the simulations of indirect drive inertial confinement fusion, taking several tens of percent of the total wall clock time. We explore the use of machine learning to accelerate this package, by essentially replacing the physics calculation with a deep neural network that has been trained to emulate the physics code. Overall, we demonstrate the feasibility of this approach on a simple problem and perform a side-by-side comparison of the physics calculation and the neural network inline in an ICF Hohlraum simulation. We show that the neural network achieves a 10× speed up in NLTE computational time while achieving good agreement with the physics code for several quantities of interest.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1986

Evaluation of automated decision making methodologies and development of an integrated robotic system simulation: Study results

The implementation of a generic computer simulation for manipulator systems (ROBSIM) is described. The program is written in FORTRAN, and allows the user to: (1) Interactively define a manipulator system consisting of multiple arms, load objects, targets, and an environment; (2) Request graphic display or replay of manipulator motion; (3) Investigate and simulate various control methods including manual force/torque and active compliance control; and (4) Perform kinematic analysis, requirements analysis, and response simulation of manipulamotion. Previous reports have described the algorithms and procedures for using ROBSIM. These reports are superseded and additional features which were added are described. They are: (1) The ability to define motion profiles and compute loads on a common base to which manipulator arms are attached; (2) Capability to accept data describing manipulator geometry from a Computer Aided Design data base using the Initial Graphics exchange Specification format; (3) A manipulator control algorithm derived from processing the TV image of known reference points on a target; and (4) A vocabulary of simple high level task commands which can be used to define task scenarios.

Haley, D. C.↗
DOE OSTI2025

Accelerating Combustion and Surface Chemistry Simulations

Design of modern combustion systems relies on computer models to predict how changes in design will affect performance. These models have largely displaced previous methods that rely on the designer’s intuition or costly and time-consuming physical testing. By using improved models, design cycles can be shortened, and cleaner and more efficient combustion devices can be created. This project aims to improve computer simulations of transportation fuels with the goal of making these simulations faster and more accurate for predicting combustion in vehicles.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1972

Effects of circular geometry in simulation of convection in rotating spacecraft tanks

For computational simulation of the convection and mixing of stratified fluid in a rotating tank (such as used in Apollo flights) with time-dependent rotation, the Navier-Stokes convection problem was formulated for a circular tank configuration. The final equations results from a general approximate theory for combined forced and contained natural convection in a time-dependent rotating system. The equations are cast in terms of vorticity and stream function in a form convenient for computation, with a transformed coordinate system, and appropriate boundary conditions are derived. Accurate representations for the cryogenic supercritical oxygen thermodynamic properties are used in the computations, and an efficient numerical finite difference scheme and computational method are employed.

Martin, E. D.↗
NASA NTRS2015

Numerical Simulations of Shock/Plume Interaction Using Structured Overset Grids

Computational simulations using structured overset grids with the Launch Ascent and Vehicle Aerodynamics (LAVA) solver framework are presented for predicting oblique shock/plume interaction effects to near-field sonic boom signatures. Standard second-order accurate as well as higher-resolution numerical discretizations are utilized and compared in the study. The numerical approach is compared with supersonic wind-tunnel data for three cases. The cases include an empty wind-tunnel at the operating conditions, an isolated shockgenerating diamond wedge within the tunnel, and a nozzle with diamond wedge configuration at five different nozzle pressure ratios. Solution sensitivity to numerical discretization is analyzed. Favorable comparisons between the computational results and experimental data of near-field pressure signatures are obtained. A simple prediction method for plume induced shock deflection is developed and results are compared with the CFD data.

Housman, Jeffrey A.↗
NASA NTRS1992

Three-dimensional simulation of slender delta wing rock and divergence

Computational simulation of three-dimensional flows around a delta wing undergoing rock and roll-divergence motions is presented. The problem is a multidisciplinary one where fluid-dynamics equations and rigid-body-dynamics equations are sequentially solved. For the fluid-dynamics part, the unsteady Euler equations, which are written relative to a moving frame of reference, are solved using an implicit, approximately-factored, central-difference, finite-volume scheme. For the rigid-body dynamics part, the Euler equation of rigid-body rolling motion is solved using a four-stage Runge-Kutta scheme. Since the applications do not include deforming wings or relative-rigid-body motions, the computational-fluid-dynamics grid, which is fixed in the moving frame of reference, does not need to be updated once it is generated.

Kandil, Osama A.↗
NASA NTRS1966

Analysis of cryogenic propellant logistics.

Large launch vehicle cryogenic propellant logistics including storage and production capacity optimization, cost and heat loss analyses by computer simulation

PROPELLANT STORAGE↗