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DOE OSTI2020

Modeling study of deep direct use geothermal on the West Virginia university campus-morgantown, WV

To reduce the geothermal exploration risk, a feasibility study is performed for a deep direct-use (DDU) system proposed at the West Virginia University (WVU) Morgantown campus. This study applies numerical simulations to investigate reservoir impedance and thermal production. Because of the great depth of the geothermal reservoir, few data are available to characterize reservoir features and properties. Consequently, the study focuses on the following three aspects: 1. model choice for predicting reservoir impedance and thermal breakthrough: after investigating three potential models (one single permeability model and two dual permeability models) for flow through fractured rock, it is decided only the single permeability model is needed; 2. well placement (horizontal vs. vertical) options: horizontal well placement seems to be more robust to heterogeneity and the impedance is more acceptable; 3. Prediction uncertainty: the most influential parameters are identified using a First-Order-Second-Moment uncertainty propagation analysis, and the uncertain range of the model predictions is estimated by performing a Monte Carlo simulation. Heterogeneity has a large impact on the prediction, therefore, heterogeneity is included in the predictive model and uncertainty analysis. The numerical model results and uncertainty analysis will be used for further economic studies.

15 GEOTHERMAL ENERGY↗

NASA NTRS1989

Stereo image visualization of numerically simulated turbulence

Stereo imaging techniques are used in the current study to analyze the results of a direct Navier-Stokes simulation of a turbulent boundary layer. Coherent structures embedded within the unsteady, highly three-dimensional turbulent flow fields are significantly enhanced through the use of stereo computer graphic renderings. In the paper, the geometrical foundations of two different methods for generating stereo images are reviewed. Sufficient detail is provided to enable readers to code stereo display algorithms from scratch. The effects of varying the geometric parameters of the stereo algorithm are demonstrated. Sample image pairs from animations of the turbulence numerical simulation are presented in color. Stereo imagery, especially when used with time-evolving data, provides new insight into the physical processes responsible for the generation an maintenance of turbulence within boundary layers.

Robinson, Stephen K.↗

DOE OSTI2024

Simulating Open Quantum Systems Using Hamiltonian Simulations

We present a novel method to simulate the Lindblad equation, drawing on the relationship between Lindblad dynamics, stochastic differential equations, and Hamiltonian simulations. We derive a sequence of unitary dynamics in an enlarged Hilbert space that can approximate the Lindblad dynamics up to an arbitrarily high order. This unitary representation can then be simulated using a quantum circuit that involves only Hamiltonian simulation and tracing out the ancilla qubits. There is no need for additional postselection in measurement outcomes, ensuring a success probability of one at each stage. Our method can be directly generalized to the time-dependent setting. We provide numerical examples that simulate both time-independent and time-dependent Lindbladian dynamics with accuracy up to the third order. Published by the American Physical Society 2024

Ding, Zhiyan (ORCID:000000018863403X)↗

DOE OSTI2026

Multibody for Everybody (M4E): A Symbolic Dynamics Modeling Tool with Applications in Simulation, Control, and Optimization

Developing the analytical model of a multibody system is often the initial step in control and optimization. The analytical model (equations of motion) describes a system’s time evolution under specified forcing conditions. Although developing these equations is easy for simple systems, this process becomes more complex for systems composed of multiple bodies. Deriving equations of motion for complex multibody systems requires specialized expertise in multibody dynamics, is time-consuming, and is susceptible to error. To address this issue, this paper presents an open-source, easy-to-use, systematic framework to derive symbolic equations of motion in both Python and MATLAB using the joint coordinate formulation. This formulation results in a set of ordinary differential equations that use the minimum set of coordinates needed to model a system. The symbolic representation provides better insight into the influence of design parameters on system performance, facilitates sensitivity analysis and parameter studies, and supports direct implementation of control and optimization routines. The tool enables numerical simulation for specified parameter sets, is modular for straightforward integration with other tools and libraries, and allows incorporation of hydrodynamics, mooring, and other external forces. The result is a reproducible, extensible pipeline for modeling, simulation, and design of complex multibody systems. The proposed tool is versatile and can be applied to domains such as robotics, control, and design. In addition, we integrated external libraries that provide capabilities for modeling offshore systems such as underwater robots and marine energy converters.

16 TIDAL AND WAVE POWER↗

DOE OSTI2026

Numerical-heating effects in atmospheric pressure streamer discharges simulated with a PIC code

Artificial heating in plasma simulations is a well-known phenomenon which occurs when, among other things, the Debye length is poorly resolved by the simulation mesh. Here, in this work, the degree to which numerical-heating occurs during a simulation of a nanosecond atmospheric pressure streamer discharge is examined. The streamer is simulated using a two-dimensional finite-element, particle-in-cell code Empire, which uses direct simulation Monte Carlo for binary particle interactions. Initially, an estimate of the numerical-heating rate applied to Empire is performed using a simple plasma model. Second, a positive atmospheric pressure streamer discharge simulation is performed to study the effects of numerical heating on plasma density, electron temperature, and streamer velocity. The nominal Debye length is approximately 1 μm and the amount of numerical heating introduced in the simulation is varied by using mesh sizes ranging from 2 μm to 20 μm. A measurable numerical heating quantity is proposed that can be used to estimate the appropriate element size and quantify the numerical-heating that can be expected over the simulation time for an atmospheric pressure streamer. In conclusion while Δx/λ D violations can be an issue it is not likely to be an issue with streamer discharges that are temporally short and occur in environments where collision frequencies are high. This result validates the rationale of grid size choices for a large amount of previously published works where Δx/λ D violation was not clearly addressed. Primary finding of this work is that numerical heating is of minor concern for plasma simulations where electron–neutral collisions are numerous such that multiple collisions can occur within a single plasma period.

Nikic, Dejan [University of New Mexico, Albuquerqu↗

DOE OSTI2023

A Mixed integer linear programming‐based distributed energy management for networked microgrids considering network operational objectives and constraints

Abstract Mixed integer linear programming (MILP)–based distributed energy management for networked microgrids embedded modern distribution systems is proposed. Considering the diverse ownership of microgrids, distributed energy resources (DERs) that interface directly with utilities and responsive loads, an alternating direction method of multipliers–based distributed framework was formulated for the scheduling of networked microgrids embedded modern distribution systems by adjusting nodal price signals iteratively. In addition, to make the formulated optimization problems resolvable through more accessible and popular MILP solvers, different linearisation techniques were employed to transform the nonlinear terms into linear or mixed integer linear formats. The proposed MILP‐based distributed method preserves all participants' autonomy (e.g., microgrids, DERs that interface directly with utilities and responsive loads), while incentivising them to actively participate in the distribution system operation with price signals. The proposed method is validated with results of numerical simulation using a modern distribution system consisting of multiple networked microgrids, DERs that interface directly with utilities, as well as responsive loads.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

The influence of permeability anisotropy in the upper ocean crust on advective heat transport by a ridge-flank hydrothermal system

Here, in this study, we highlight the importance of permeability anisotropy on the hydrogeological regime of a ridge-flank hydrothermal system. Our study site, North Pond, is a marine sediment pond on ~8 Ma seafloor in the North Atlantic, and represents a low-temperature, end-member ridge-flank hydrothermal system. Previous simulations of North Pond elucidated long-standing hypotheses concerning hydrothermal fluid and heat transport in the upper volcanic crust but failed to fully explain observed patterns of seafloor heat flux in this area. Here we use variography, a geostatistical method, to quantify relations between seafloor heat-flux measurements, and coupled numerical simulations of fluid and heat flow to simulate the hydrogeologic regime. Directional variography shows that heat-flux observations are correlated along-strike of the regional crustal fabric. Three-dimensional simulations that include permeability anisotropy are able to replicate seafloor heat-flux patterns across North Pond. The simulations that result in the best match to thermal data incorporate permeability anisotropy in the horizontal plane. We find that the feedback between permeability anisotropy and the asymmetric geometry of North Pond combine to promote advective removal of heat and mass within the crustal aquifer. These findings suggest that permeability anisotropy in the oceanic crust may influence ridge-flank hydrothermal circulation more broadly.

58 GEOSCIENCES↗

NASA NTRS2008

Gaseous Surrogate Hydrocarbons for a Hifire Scramjet that Mimic Opposed Jet Extinction Limits for Cracked JP Fuels

This paper describes, first, the top-down methodology used to define simple gaseous surrogate hydrocarbon (HC) fuel mixtures for a hypersonic scramjet combustion subtask of the HiFIRE program. It then presents new and updated Opposed Jet Burner (OJB) extinction-limit Flame Strength (FS) data obtained from laminar non-premixed HC vs. air counterflow diffusion flames at 1-atm, which follow from earlier investigations. FS represents a strain-induced extinction limit based on cross-section-average air jet velocity, U(sub air), that sustains combustion of a counter jet of gaseous fuel just before extinction. FS uniquely characterizes a kinetically limited fuel combustion rate. More generally, Applied Stress Rates (ASRs) at extinction (U(sub air) normalized by nozzle or tube diameter, D(sub n or t) can directly be compared with extinction limits determined numerically using either a 1-D or (preferably) a 2-D Navier Stokes simulation with detailed transport and finite rate chemistry. The FS results help to characterize and define three candidate surrogate HC fuel mixtures that exhibit a common FS 70% greater than for vaporized JP-7 fuel. These include a binary fuel mixture of 64% ethylene + 36% methane, which is our primary recommendation. It is intended to mimic the critical flameholding limit of a thermally- or catalytically-cracked JP-7 like fuel in HiFIRE scramjet combustion tests. Our supporting experimental results include: (1) An idealized kinetically-limited ASR reactivity scale, which represents maximum strength non-premixed flames for several gaseous and vaporized liquid HCs; (2) FS characterizations of Colket and Spadaccini s suggested ternary surrogate, of 60% ethylene + 30% methane + 10% n-heptane, which matches the ignition delay of a typical cracked JP fuel; (3) Data showing how our recommended binary surrogate, of 64% ethylene + 36% methane, has an identical FS; (4) Data that characterize an alternate surrogate of 44% ethylene + 56% ethane with identical FS and nearly equal molecular weights; this could be useful when systematically varying the fuel composition. However, the mixture liquefies at much lower pressure, which limits on-board storage of gaseous fuel; (5) Dynamic Flame Weakening results that show how oscillations in OJB input flow (and composition) can weaken (extinguish) surrogate flames up to 200 Hz, but the weakening is 2.5x smaller compared to pure methane; and finally, (6) FS limits at 1-atm that compare with three published 1-D numerical OJB extinction results using four chemical kinetic models. The methane kinetics generally agree closely at 1-atm, whereas, the various ethylene models predict extinction limits that average ~ 45% high, which represents a significant problem for numerical simulation of surrogate-based flameholding in a scramjet cavity. Finally, we continue advocating the FS approach as more direct and fundamental for assessing idealized scramjet flameholding potentials than measurements of "unstrained" premixed laminar burning velocity or blowout in a Perfectly Stirred Reactor.

Pellett, Gerald L.↗

NASA NTRS2004

Annual Research Briefs, 2004: Center for Turbulence Research

This report contains the 2004 annual progress reports of the Research Fellows and students of the Center for Turbulence Research in its eighteenth year of operation. Since its inception in 1987, the objective of the CTR has been to advance the physical understanding of turbulent flows and development of physics based predictive tools for engineering analysis and turbulence control. Turbulence is ubiquitous in nature and in engineering devices. The studies at CTR have been motivated by applications where turbulence effects are significant; these include a broad range of technical areas such as planetary boundary layers, formation of planets, solar convection, magnetohydrodynamics, environmental and eco systems, aerodynamic noise, propulsion systems and high speed transportation. Numerical simulation has been the predominant research tool at CTR which has required a critical mass of researchers in numerical analysis and computer science in addition to core disciplines such as applied mathematics, chemical kinetics and fluid mechanics. Maintaining and promoting this interdisciplinary culture has been a hallmark of CTR and has been responsible for the realization of the results of its basic research in applications. The first group of reports in this volume are directed towards development, analysis and application of novel numerical methods for ow simulations. Development of methods for large eddy simulation of complex flows has been a central theme in this group. The second group is concerned with turbulent combustion, scalar transport and multi-phase ows. The nal group is devoted to geophysical turbulence where the problem of solar convection has been a new focus of considerable attention recently at CTR.

Moin, Parviz↗

DOE OSTI2022

Evaluation of Turbulence and Dispersion in Multiscale Atmospheric Simulations over Complex Urban Terrain during the Joint Urban 2003 Field Campaign

Abstract This paper evaluates the representation of turbulence and its effect on transport and dispersion within multiscale and microscale-only simulations in an urban environment. These simulations, run using the Weather Research and Forecasting Model with the addition of an immersed boundary method, predict transport and mixing during a controlled tracer release from the Joint Urban 2003 field campaign in Oklahoma City, Oklahoma. This work extends the results of a recent study through analysis of turbulence kinetic energy and turbulence spectra and their role in accurately simulating wind speed, direction, and tracer concentration. The significance and role of surface heat fluxes and use of the cell perturbation method in the numerical simulation setup are also examined. Our previous study detailed the model development necessary for our multiscale simulations, examined model skill at predicting wind speeds and tracer concentrations, and demonstrated that dynamic downscaling from mesoscale to microscale through a sequence of nested simulations can improve predictions of transport and dispersion relative to a microscale-only simulation forced by idealized meteorology. Here, predictions are compared with observations to assess qualitative agreement and statistical model skill at predicting wind speed, wind direction, tracer concentration, and turbulent kinetic energy at locations throughout the city. We also investigate the scale distribution of turbulence and the associated impact on model skill, particularly for predictions of transport and dispersion. Our results show that downscaled large-scale turbulence, which is unique to the multiscale simulations, significantly improves predictions of tracer concentrations in this complex urban environment. Significance Statement Simulations of atmospheric transport and mixing in urban environments have many applications, including pollution modeling for urban planning or informing emergency response following a hazardous release. These applications include phenomena with spatial scales spanning from millimeters to kilometers. Most simulations resolve flow only within the urban area of interest, omitting larger scales of turbulence and regional influences. This study examines a method that resolves both the small and large-scale flow features. We evaluate simulation accuracy by comparing predictions with observations from an experiment involving the release of a tracer gas in Oklahoma City, Oklahoma, with emphasis on correctly modeling turbulent fluctuations. Our results demonstrate the importance of resolving large-scale flow features when predicting transport and dispersion in urban environments.

42 ENGINEERING↗

NASA NTRSDate not supplied

Simulating Microwave and Radar Signals in Severe Weather Conditions

The development of radiative transfer simulators for radar and microwave signals, spanning a range of frequencies from 10 to 800 GHz, is paramount for enhancing weather forecasting accuracy, particularly for severe weather events. These tools facilitate the assimilation of microwave and radar observations into numerical weather prediction models, thereby improving accuracy of weather forecasts. Additionally, they directly simulate radar signals crucial for autonomous vehicle operation, with frequencies commonly used in radar systems such as 24, 74, 77, and 79 GHz. However, these frequencies are susceptible to weather phenomena like severe rain and snow, which can significantly impact vehicle safety and performance. These simulation tools, including radiative transfer simulators, serve a dual purpose. Firstly, they enhance forecasts for severe weather events, contributing to autonomous vehicle safety by providing early warnings and risk assessments. Secondly, they enable the direct simulation of radar signals in autonomous vehicle driving systems, allowing researchers and engineers to evaluate radar system performance under various weather conditions. In addition to the radar signal simulator, this abstract discusses the incorporation of advanced scattering properties developed using the discrete dipole approximation (DDA). The DDA technique enhances scattering calculations for frozen hydrometeors at microwave frequencies, thereby improving the accuracy of radar signal simulations and enabling more accurate assessments of radar system performance in adverse weather conditions. In summary, this abstract explores the development and utilization of comprehensive simulation tools, emphasizing their significance in simulating microwave and radar signals and improving weather forecasts. Special attention is given to the simulation of radar signals at critical frequencies for autonomous vehicle sensing and navigation, addressing challenges posed by severe weather phenomena and their effects on signal propagation and detection

Isaac Moradi↗

DOE OSTI2017

Deep Vadose Zone Contaminant Flux Evaluation at the Hanford BY-Cribs Site using Forward and Imposed Concentration Modeling Approaches

For sites with vadose zone contamination, the nature and extent of groundwater contaminant plumes are related to the flux into groundwater. In thick vadose zones at arid sites, transport is likely relative slow, complicating direct measurement of contaminant flux. A predictive numerical analysis was applied to estimate contaminant flux to groundwater at the Hanford BY Cribs site. The site received large amounts of waste water in the 1950’s, containing contaminants such as technicium-99 and nitrate. Recently, large increases in groundwater concentrations have been observed in site groundwater wells and, for potential remediation purposes, the assumption that the changes are the result of increased vadose zone fluxes into groundwater needed to be evaluated. The analysis approach uses forward simulations, tracking contaminants during and after disposal, and imposed concentration (IC) simulations, where concentrations, derived from electrical conductivity data obtained in 2007, are imposed on the flow field. A total of three IC methods, relating electrical conductivity to nitrate concentrations, are developed and tested. The numerical analysis shows that the forward simulations predict high fluxes during and directly after disposal, with decreasing trends starting not later than 1970. Although the IC simulations show differences in the nitrate vadose zone mass imposed in 2007 compared to forward simulations, the IC simulations also show declining nitrate fluxes over time. The predicted fluxes of the forward and IC simulations after 2007 are in reasonable agreement. Given the declining nature of the contaminant fluxes, it can be concluded that the observed concentration increases in the groundwater below the BY Cribs site cannot be explained as resulting from an increase in contaminant flux from the vadose zone. An alternative explanation, based on the observed decrease in aquifer thickness below the site, is presented.

Oostrom, Martinus↗

DOE OSTI2021

Effect of ionization waves on dust chain formation in a DC discharge

An interesting aspect of complex plasma is its ability to self-organize into a variety of structural configurations and undergo transitions between these states. A striking phenomenon is the isotropic-to-string transition observed in electrorheological complex plasma under the influence of a symmetric ion wake field. Such transitions have been investigated using the Plasma Kristall-4 (PK-4) microgravity laboratory on the International Space Station. Recent experiments and numerical simulations have shown that, under PK-4-relevant discharge conditions, the seemingly homogeneous direct current discharge column is highly inhomogeneous, with large axial electric field oscillations associated with ionization waves occurring on microsecond time scales. here, a multi-scale numerical model of the dust–plasma interactions is employed to investigate the role of the electric field in the charge of individual dust grains, the ion wake field and the order of string-like structures. Results are compared with those for dust strings formed in similar conditions in the PK-4 experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1990

A line-of-sight performance criterion for controller design of a proposed laboratory model

A line-of-sight performance criterion is derived for a proposed Controls Structures Interaction model, and its many uses in the control design process for fine pointing control are illustrated. A linearized line-of-sight (LOS) criterion is used for direct controller design and as a performance measure to judge different control methodologies. Numerical simulation results are shown where the three approaches: linear quadratic Gaussian theory, robust eigensystem assignment, and local velocity feedback are used for vibration control. Results indicate that the linear quadratic Gaussian controller, which incorporates a linearized LOS weighting matrix directly, yields good performance without wasting energy to control motions that have no influence on the LOS.

Lim, Kyong B.↗

DOE OSTI2026

Existence of a robust optimal control process for efficient measurements in a two-qubit system

The verification of quantum entanglement is essential for quality control in quantum communication. In this work we propose an efficient protocol to directly verify the two-qubit entanglement of a known target state through a single-expectation-value measurement. Our method provides exact entanglement quantification using the concurrence measure without performing quantum state tomography. We prove the existence of a unitary transformation that drives a known initial state of a two-qubit system to a designated final state, where the trace over a chosen observable directly yields the concurrence of the initial state. Furthermore, we implement an optimal control process of that transformation and demonstrate its effectiveness through numerical simulations. We also show that this process is robust to environmental noise. Our approach offers advantages in directly verifying entanglement with low circuit depth, making it suitable for industrial-scale quality control of entanglement generation. Our results presented here provide mathematical justification for our earlier computational experiments.

Rodriguez, Ricardo [McPherson Coll.] (ORCID:000000↗

DOE OSTI2019

Characteristics of quasi-unipolar electromagnetic pulses formed in the interaction of high-power laser pulses with nanoscale targets

A new method is suggested for generating quasi-unipolar electromagnetic IR and terahertz pulses. The method is based on synchronous acceleration of electrons combined to a dense bunch with a charge of up to several tens nanocoulombs, which are forced out from a nanoscale target under an action of a high-power, sharp-leading edge laser pulse. The electromagnetic bunch moving in a field of laser radiation can generate high-power electromagnetic pulses with various spectral composition including terahertz and IR ranges. A physical mechanism underlying the formation of generated quasi-unipolar pulses of electromagnetic radiation is determined and numerically studied. The pulse characteristics are found by numerical simulation, such as amplitude and duration dependences on the angle between the pulse propagation direction and laser beam axis. It is established that in modern laser installations, the amplitudes of quasi-unipolar pulses may reach relativistic values. Reflection of a unipolar pulse from an ideally reflecting surface is numerically analysed. It is shown that the pulse retains its unipolar profile in this case. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Graeme A. Bird

Few of those who read the 1963 research note by Graeme A. Bird in Physics of Fluids could have imagined that 50 years later the proposed new numerical technique would have become the dominant numerical technique in molecular gas dynamics. The introduction of the Direct Simulation Monte Carlo (DSMC) method not only has altered the field of molecular gas dynamics but also has influenced fields such as physical chemistry, mathematics, computer science, and aerothermodynamics. Further, the DSMC method has been used to probe into previously uninvestigated theoretical aspects of the Boltzmann equation and has also served as a platform for the development of nonequilibrium chemistry models. The DSMC method’s most noteworthy achievement is that molecular gas dynamics became a practical tool in the hands of aerospace engineers in many situations of spacecraft design and mission analysis.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2018

Theoretical Expressions for the Ascent Rate of Moist Deep Convective Thermals

An approximate analytic expression is derived for the ratio λ of the ascent rate of moist deep convective thermals and the maximum vertical velocity within them; λ is characterized as a function of two nondimensional buoyancy-dependent parameters y and h and is used to express the thermal ascent rate as a function of the buoyancy field. The parameter y characterizes the vertical distribution of buoyancy within the thermal, and h is the ratio of the vertically integrated buoyancy from the surface to the thermal top and the vertical integral of buoyancy within the thermal. Theoretical λ values are calculated using values of y and h obtained from idealized numerical simulations of ascending moist updrafts and compared to λ computed directly from the simulations. The theoretical values of [Formula: see text] 0.4–0.8 are in reasonable agreement with the simulated λ (correlation coefficient of 0.86). These values are notably larger than the [Formula: see text] from Hill’s (nonbuoyant) analytic spherical vortex, which has been used previously as a framework for understanding the dynamics of moist convective thermals. The relatively large values of λ are a result of net positive buoyancy within the upper part of thermals that opposes the downward-directed dynamic pressure gradient force below the thermal top. These results suggest that nonzero buoyancy within moist convective thermals, relative to their environment, fundamentally alters the relationship between the maximum vertical velocity and the thermal-top ascent rate compared to nonbuoyant vortices. Implications for convection parameterizations and interpretation of the forces contributing to thermal drag are discussed.

54 ENVIRONMENTAL SCIENCES↗