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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

State preparation of lattice field theories using quantum optimal control

Here, we explore the application of quantum optimal control (QOC) techniques to state preparation of lattice field theories on quantum computers. As a first example, we focus on the Schwinger model, quantum electrodynamics in 1+1 dimensions. We demonstrate that QOC can significantly speed up the ground state preparation compared to gate-based methods, even for models with long-range interactions. Using classical simulations, we explore the dependence on the interqubit coupling strength and the device connectivity, and we study the optimization in the presence of noise. While our simulations indicate potential speedups, the results strongly depend on the device specifications. In addition, we perform exploratory studies on the preparation of thermal states. Our results motivate further studies of QOC techniques in the context of quantum simulations for fundamental physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2006

Relationships of Upper Tropospheric Water Vapor, Clouds and SST: MLS Observations, ECMWF Analyses and GCM Simulations

The relationships of upper tropospheric water vapor (UTWV), cloud ice and sea surface temperature (SST) are examined in the annual cycles of ECMWF analyses and simulations from 15 atmosphere-ocean coupled models which were contributed to the IPCC AR4. The results are compared with the observed relationships based on UTWV and cloud ice measurements from MLS on Aura. It is shown that the ECMWF analyses produce positive correlations between UTWV, cloud ice and SST, similar to the MLS data. The rate of the increase of cloud ice and UTWV with SST is about 30% larger than that for MLS. For the IPCC simulations, the relationships between UTWV, cloud ice and SST are qualitatively captured. However, the magnitudes of the simulated cloud ice show a considerable disagreement between models, by nearly a factor of 10. The amplitudes of the approximate linear relations between UTWV, cloud ice and SST vary by a factor up to 4.

sea surface temperature (SST)↗
NASA NTRS2021

The Micro‐Macro Coupling of Mass‐Loading in Symmetric Magnetic Reconnection With Cold Ions

We investigate how magnetic reconnection is influenced by an inflow of a dense cold ion population. We compare two 2.5D Particle-In-Cell simulations, one containing the cold population and one without. We find that the cold population influences the reconnection process on both global and kinetic scales, and that the dominant contribution can be explained through mass-loading. We provide an analysis of how these multiscale changes are related through kinetic processes in the ion diffusion region, the so-called micro-macro coupling of mass-loading. The inertia of the cold ion population is found to be the significant link that connects the changes on different scales. The cold and warm populations exhibit counter streaming behavior when and after the ion diffusion region reorganizes itself in response to the arrival of the cold population. This signature of the cold population should be observable by spacecraft observatories such as MMS.

Magnetic reconnection↗
NASA NTRS2001

Simulation of the Effect of Realistic Space Vehicle Environments on Binary Metal Alloys

Simulations that assess the effect of space vehicle acceleration environments on the solidification of Pb-Sb alloys are reported. Space microgravity missions are designed to provide a near zero-g acceleration environment for various types of scientific experiments. Realistically. these space missions cannot provide a perfect environment. Vibrations caused by crew activity, on-board experiments, support systems stems (pumps, fans, etc.), periodic orbital maneuvers, and water dumps can all cause perturbations to the microgravity environment. In addition, the drag on the space vehicle is a source of acceleration. Therefore, it is necessary to predict the impact of these vibration-perturbations and the steady-state drag acceleration on the experiments. These predictions can be used to design mission timelines. so that the experiment is run during times that the impact of the acceleration environment is acceptable for the experiment of interest. The simulations reported herein were conducted using a finite element model that includes mass, species, momentum, and energy conservation. This model predicts the existence of "channels" within the processing mushy zone and subsequently "freckles" within the fully processed solid, which are the effects of thermosolutal convection. It is necessary to mitigate thermosolutal convection during space experiments of metal alloys, in order to study and characterize diffusion-controlled transport phenomena (microsegregation) that are normally coupled with macrosegregation. The model allows simulation of steady-state and transient acceleration values ranging from no acceleration (0 g). to microgravity conditions (10(exp -6) to 10(exp -3) g), to terrestrial gravity conditions (1 g). The transient acceleration environments simulated were from the STS-89 SpaceHAB mission and from the STS-94 SpaceLAB mission. with on-orbit accelerometer data during different mission periods used as inputs for the simulation model. Periods of crew exercise, quiet (no crew activity), and nominal conditions from STS-89 were used as simulation inputs as were periods of nominal. overboard water-dump, and free-drift (no orbit maneuvering operations) from STS-94. Steady-state acceleration environments of 0.0 and 10(exp -6) to 10(exp -1) g were also simulated, to serve as a comparison to the transient data and to assess an acceptable magnitude for the steady-state vehicle drag

Westra, Douglas G.↗
DOE OSTI2020

Planar Self-similar Antennas for Broadband Millimeter-Wave Measurements

Self-similar antennas offer extremely broadband functionality and easily scalable designs. Self-similar designs with a four-arm layout are also suited for dual polarization through excitations of opposing arms, although there has only been limited use of them for millimeter-wave detectors. These antennas have been used for measurements of the cosmic microwave background (CMB), which encompass a wide frequency range and are now actively focusing more on polarization anisotropies. Here, we analyze multiple planar self-similar antenna designs with simulations in high-frequency structure simulator and ongoing physical testing. They all exhibit broadband operation between 130 and 230 GHz and can couple to both linear polarizations through the previously mentioned four-arm symmetry. Furthermore, simulations include each antenna design coupled to an extended hemispherical, AR-coated lenslet. From these, a basic bowtie-like arm design produced minimal polarization wobble with moderate beam efficiency, while a hybrid trapezoidal design provided high beam efficiency with small polarization wobble. Current fabrication versions of each are being tested, coupled to multichroic microwave kinetic inductance detectors. These planar self-similar antennas, when implemented in CMB and other detectors, could improve observations while simultaneously simplifying fabrication and detector layout.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Valence bond order in a honeycomb antiferromagnet coupled to quantum phonons

We use exact quantum Monte Carlo simulations to demonstrate that the Néel ground state of an antiferromagnetic SU(2) spin-1/2 Heisenberg model on the honeycomb lattice can be destroyed by a coupling to quantum phonons. Here, we find a clear first-order transition to a valence bond solid state with Kekulé order instead of a deconfined quantum critical point. However, quantum lattice fluctuations can drive the transition towards weakly first order, revealing a tunability of the transition by the retardation of the interaction. In contrast to the one-dimensional case, our phase diagram in the adiabatic regime is qualitatively different from the frustrated J 1 –J 2 model. Our results suggest that a coupling to bond phonons can induce Kekulé order in Dirac systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Thin‐Film Ferroelectrics

Abstract Over the last 30 years, the study of ferroelectric oxides has been revolutionized by the implementation of epitaxial‐thin‐film‐based studies, which have driven many advances in the understanding of ferroelectric physics and the realization of novel polar structures and functionalities. New questions have motivated the development of advanced synthesis, characterization, and simulations of epitaxial thin films and, in turn, have provided new insights and applications across the micro‐, meso‐, and macroscopic length scales. This review traces the evolution of ferroelectric thin‐film research through the early days developing understanding of the roles of size and strain on ferroelectrics to the present day, where such understanding is used to create complex hierarchical domain structures, novel polar topologies, and controlled chemical and defect profiles. The extension of epitaxial techniques, coupled with advances in high‐throughput simulations, now stands to accelerate the discovery and study of new ferroelectric materials. Coming hand‐in‐hand with these new materials is new understanding and control of ferroelectric functionalities. Today, researchers are actively working to apply these lessons in a number of applications, including novel memory and logic architectures, as well as a host of energy conversion devices.

Fernandez, Abel↗
NASA NTRS2015

Solar Signals in CMIP-5 Simulations: The Stratospheric Pathway

The 11 year solar-cycle component of climate variability is assessed in historical simulations of models taken from the Coupled Model Intercomparison Project, phase 5 (CMIP-5). Multiple linear regression is applied to estimate the zonal temperature, wind and annular mode responses to a typical solar cycle, with a focus on both the stratosphere and the stratospheric influence on the surface over the period approximately 1850-2005. The analysis is performed on all CMIP-5 models but focuses on the 13 CMIP-5 models that resolve the stratosphere (high-top models) and compares the simulated solar cycle signature with reanalysis data. The 11 year solar cycle component of climate variability is found to be weaker in terms of magnitude and latitudinal gradient around the stratopause in the models than in the reanalysis. The peak in temperature in the lower equatorial stratosphere (approximately 70 hPa) reported in some studies is found in the models to depend on the length of the analysis period, with the last 30 years yielding the strongest response. A modification of the Polar Jet Oscillation (PJO) in response to the 11 year solar cycle is not robust across all models, but is more apparent in models with high spectral resolution in the short-wave region. The PJO evolution is slower in these models, leading to a stronger response during February, whereas observations indicate it to be weaker. In early winter, the magnitude of the modeled response is more consistent with observations when only data from 1979-2005 are considered. The observed North Pacific high-pressure surface response during the solar maximum is only simulated in some models, for which there are no distinguishing model characteristics. The lagged North Atlantic surface response is reproduced in both high- and low-top models, but is more prevalent in the former. In both cases, the magnitude of the response is generally lower than in observations.

stratosphere↗
NASA NTRS2016

Tsunami Generation from Asteroid Airburst and Ocean Impact and Van Dorn Effect

Airburst - In the simulations explored energy from the airburst couples very weakly with the water making tsunami dangerous over a shorter distance than the blast for asteroid sizes up to the maximum expected size that will still airburst (approx.250MT). Future areas of investigation: - Low entry angle airbursts create more cylindrical blasts and might couple more efficiently - Bursts very close to the ground will increase coupling - Inclusion of thermosphere (>80km altitude) may show some plume collapse effects over a large area although with much less pressure center dot Ocean Impact - Asteroid creates large cavity in ocean. Cavity backfills creating central jet. Oscillation between the cavity and jet sends out tsunami wave packet. - For deep ocean impact waves are deep water waves (Phase speed = 2x Group speed) - If the tsunami propagation and inundation calculations are correct for the small (<250MT) asteroids in these simulations where they impact deep ocean basins, the resulting tsunami is not a significant hazard unless particularly close to vulnerable communities. Future work: - Shallow ocean impact. - Effect of continental shelf and beach profiles - Tsunami vs. blast damage radii for impacts close to populated areas - Larger asteroids below presumed threshold of global effects (Ø200 - 800m).

Tsunami↗
NASA NTRS2003

Towards an Automated Full-Turbofan Engine Numerical Simulation

The objective of this study was to demonstrate the high-fidelity numerical simulation of a modern high-bypass turbofan engine. The simulation utilizes the Numerical Propulsion System Simulation (NPSS) thermodynamic cycle modeling system coupled to a high-fidelity full-engine model represented by a set of coupled three-dimensional computational fluid dynamic (CFD) component models. Boundary conditions from the balanced, steady-state cycle model are used to define component boundary conditions in the full-engine model. Operating characteristics of the three-dimensional component models are integrated into the cycle model via partial performance maps generated automatically from the CFD flow solutions using one-dimensional meanline turbomachinery programs. This paper reports on the progress made towards the full-engine simulation of the GE90-94B engine, highlighting the generation of the high-pressure compressor partial performance map. The ongoing work will provide a system to evaluate the steady and unsteady aerodynamic and mechanical interactions between engine components at design and off-design operating conditions.

Reed, John A.↗
DOE OSTI2021

Meshfree simulation and experimental validation of extreme thermomechanical conditions in friction stir extrusion

Abstract Friction stir extrusion (FSE) is a novel solid-phase processing technique that consolidates and extrudes metal powders, flakes, chips, or billets into high-performance parts by plastic deformation, which has the potential to save substantial processing time and energy. Currently, most studies on FSE are experimental and only a few numerical models have been developed to explain and predict the complex physics of the process. In this work, a meshfree simulation framework based on smoothed particle hydrodynamics (SPH) was developed for FSE. Unlike traditional grid-based methods, SPH is a Lagrangian particle-based method that can handle severe material deformations, capture moving interfaces and surfaces, and monitor the field variable histories explicitly without complicated tracking schemes. These aspects of SPH make it attractive for the FSE process, where in situ evolution of field variables is difficult to observe experimentally. To this end, a 3-D, fully thermomechanically coupled SPH model was developed to simulate the FSE of aluminum wires. The developed model was thoroughly validated by comparing the numerically predicted material flow, strain, temperature history, and extrusion force with experimental results for a certain set of process parameters. The validated SPH model can serve as an effective tool to predict and better understand the extreme thermomechanical conditions during the FSE process.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS2015

Development of the US3D Code for Advanced Compressible and Reacting Flow Simulations

Aerothermodynamics and hypersonic flows involve complex multi-disciplinary physics, including finite-rate gas-phase kinetics, finite-rate internal energy relaxation, gas-surface interactions with finite-rate oxidation and sublimation, transition to turbulence, large-scale unsteadiness, shock-boundary layer interactions, fluid-structure interactions, and thermal protection system ablation and thermal response. Many of the flows have a large range of length and time scales, requiring large computational grids, implicit time integration, and large solution run times. The University of Minnesota NASA US3D code was designed for the simulation of these complex, highly-coupled flows. It has many of the features of the well-established DPLR code, but uses unstructured grids and has many advanced numerical capabilities and physical models for multi-physics problems. The main capabilities of the code are described, the physical modeling approaches are discussed, the different types of numerical flux functions and time integration approaches are outlined, and the parallelization strategy is overviewed. Comparisons between US3D and the NASA DPLR code are presented, and several advanced simulations are presented to illustrate some of novel features of the code.

CFD↗
DOE OSTI2025

Improved Understanding of Multicentury Greenland Ice Sheet Response to Strong Warming in the Coupled CESM2‐CISM2 With Regional Grid Refinement

The simulation of ice sheet‐climate interactions, such as surface mass balance fluxes, is sensitive to model grid resolution. Here we simulate the multi‐century evolution of the Greenland Ice Sheet (GrIS) and its interaction with the climate using the Community Earth System Model version 2.2 (CESM2.2) including an interactive GrIS component (the Community Ice Sheet Model v2.1 [CISM2.1]) under an idealized warming scenario (atmospheric CO 2 increases by 1% yr -1 until quadrupling the pre‐industrial level and then is held fixed). A variable‐resolution (VR) grid with 1/4° regional refinement over the broader Arctic and 1° resolution elsewhere is applied to the atmosphere and land components, and the results are compared with conventional 1° lat‐lon grid simulations to investigate the impact of grid refinement. Compared with the 1° runs, the VR run features a slower rate of surface melt, especially over the western and northern GrIS, where the ice surface slopes gently toward the periphery. This difference pattern originates primarily from higher snow albedo and, thus, weaker albedo feedback in the VR run. The VR grid better captures the CISM ice sheet topography by reducing elevation discrepancies between CAM and CISM and is, therefore, less reliant on the downscaling algorithm, which is known to underestimate albedo gradients. The sea level rise contribution from the GrIS in the VR run is 53 mm by year 150 and 831 mm by year 350, approximately 40% and 20% less than that of the 1° runs, respectively.

Earth System Model↗
DOE OSTI2020

Progress on Understanding Rayleigh–Taylor Flow and Mixing Using Synergy Between Simulation, Modeling, and Experiment

Simultaneous advances in numerical methods and computing, theoretical techniques, and experimental diagnostics have all led independently to better understanding of Rayleigh–Taylor (RT) instability, turbulence, and mixing. In particular, experiments have provided significant motivation for many simulation and modeling studies, as well as validation data. Numerical simulations have also provided data that is not currently measurable or very difficult to measure accurately in RT unstable flows. Thus, simulations have also motivated new measurements in this class of buoyancy-driven flows. This overview discusses simulation and modeling studies synergistic with experiments and examples of how experiments have motivated simulations and models of RT instability, flow, and mixing. First, a brief summary of measured experimental and calculated simulation quantities, of experimental approaches, and of issues and challenges in the simulation and modeling of RT experiments is presented. Implicit large-eddy, direct numerical, and large-eddy simulations validated using RT experimental data are then discussed. This is followed by a discussion of modeling using analytical, modal, buoyancy–drag, and turbulent transport models of RT mixing experiments. The discussion will focus on three-dimensional RT mixing arising from multimode perturbations. Finally, this focused review concludes with a perspective on future simulation, modeling, and experimental directions for further research. Research in simulation and modeling of RT unstable flows, coupled with experiments, has made significant progress over the past several decades. This overview serves as an opportunity to both discuss progress and to stimulate future research on simulation and modeling of this unique class of hydrodynamically unstable turbulent flows.

42 ENGINEERING↗
NASA NTRS2007

Coupled Stochastic Time-Inverted Lagrangian Transport/Weather Forecast and Research/Vegetation Photosynthesis and Respiration Model: Simulations of Tower-Based and Airborne CO2 Measurements - Part II

This paper evaluates simulations of atmospheric CO2 measured in 2004 at continental surface and airborne receptors, intended to test the capability to use data with high temporal and spatial resolution for analyses of carbon sources and sinks at regional and continental scales. The simulations were performed using the Stochastic Time-Inverted Lagrangian Transport (STILT) model driven by the Weather Forecast and Research (WRF) model, and linked to surface fluxes from the satellite-driven Vegetation Photosynthesis and Respiration Model (VPRM). The simulations provide detailed representations of hourly CO2 tower data and reproduce the shapes of airborne vertical profiles with high fidelity. WRF meteorology gives superior model performance compared with standard meteorological products, and the impact of including WRF convective mass fluxes in the STILT trajectory calculations is significant in individual cases. Important biases in the simulation are associated with the nighttime CO2 build-up and subsequent morning transition to convective conditions, and with errors in the advected lateral boundary condition. Comparison of STILT simulations driven by the WRF model against those driven by the Brazilian variant of the Regional Atmospheric Modeling System (BRAMS) shows that model-to-model differences are smaller than between an individual transport model and observations, pointing to systematic errors in the simulated transport. Future developments in the WRF model s data assimilation capabilities, basic research into the fundamental aspects of trajectory calculations, and intercomparison studies involving other transport models, are possible venues for reducing these errors. Overall, the STILT/WRF/VPRM offers a powerful tool for continental and regional scale carbon flux estimates.

Eluszkiewicz, Janusz↗
DOE OSTI2024

Simulation of Multiphase Flow and Poromechanical Effects Around Injection Wells in CO 2 Storage Sites

In geological CO 2 storage operations, wellbore deformations and leakage pathways formations can occur around injection and abandoned wells subjected to high rates and long-term CO 2 injection. To guide engineering design and prevent CO 2 leakage risks, a full understanding of the underlying physics and robust numerical models is necessary to evaluate the response of underground formations in the near wellbore region and in the reservoir. In this study, a multi-scale and multi-physics open-source simulator (GEOS) is used to simulate multiphase flow and poromechanical deformations over time in three dimensions. The governing equations for mechanical deformations of the rock body and multiphase compositional fluid flow within the rock matrix are solved with a fully coupled finite element and finite volume approach. The Drucker–Prager model with friction hardening is applied to simulate elastoplastic deformation and a multiphase fluid model with power-law correlations for relative permeability is used to model the migration of CO 2 plume, which are coupled with numerical implicit scheme. Simulation results are verified against multiple analytical solutions for multiphase flow and wellbore problems, thus demonstrating the accuracy of this advanced simulator. In two engineering applications, here we highlight the impact of elastoplastic deformation and coupled modeling for assessing induced displacements and stress perturbations, which are more pronounced in the near wellbore regions. This work focuses on short-term processes in the vicinity of injection wells where stress evolutions, rock deformations and multiphase compositional flow and transport are simulated jointly to ensure wellbore stability and prevent damage. This fully coupled geomechanical model can simulate multiphase flow and any associated poromechanical effects within the CO 2 storage site and in the surrounding formations. Such a large-scale, long-term, multi-physics simulation model is useful in many ways: it can guide operational decisions for CO 2 injection, assess the containment potential and risks of a site, and analyze the wellbore stability and integrity during and after CO 2 injection.

58 GEOSCIENCES↗