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NASA NTRS2001

Observations of Saharan dust in the Caribbean and Implications for Regional Climate Variability

Massive quantities of dust aerosol, originating at source locations in the Saharan desert are frequently transported westward across the Atlantic. Saharan dust has been frequently identified at ground-based stations in South America, on Barbados, in Florida and in Texas. Recently, in July of 2000, the Puerto Rican Dust Experiment (PRiDE), consisting of researchers from the U.S. Navy, NASA, the University of Miami and the University of Puerto Rico joined together to study this important phenomenon. Numerical forecast models tracked each dust event as the dust left the African continent and transversed the Atlantic. Ground-based, ship-based, airborne and satellite sensors were used to characterize the physical and radiative properties of the dust aerosol. The dust plays an important role in terms of radiative forcing of regional climate. Satellite sensors such as NASA's EOS-MODIS aboard the Terra satellite will provide important continuing information on the dust aerosol and its climatic effects.

Remer, L.↗

NASA NTRS2024

Accelerating Continuous Variable Coherent Ising Machines Via Momentum

The Coherent Ising Machine (CIM) is a non-conventional architecture that takes inspiration from physical annealing processes to solve Ising problems heuristically. Its dynamics are naturally continuous and described by a set of ordinary differential equations that have been proven to be useful for the optimization of continuous variables nonconvex quadratic optimization problems. The dynamics of such Continuous Variable CIMs (CV-CIM) encourage optimization via optical pulses whose amplitudes are determined by the negative gradient of the objective; however, standard gradient descent is known to be trapped by local minima and hampered by poor problem conditioning. In this work, we propose to modify the CV-CIM dynamics using more sophisticated pulse injections based on tried-and-true optimization techniques such as momentum and Adam. Through numerical experiments, we show that the momentum and Adam updates can significantly speed up the CV-CIM’s convergence and improve sample diversity over the original CV-CIM dynamics. We also find that the Adam-CV-CIM’s performance is more stable as a function of feedback strength, especially on poorly conditioned instances, resulting in an algorithm that is more robust, reliable, and easily tunable. More broadly, we identify the CIM dynamical framework as a fertile opportunity for exploring the intersection of classical optimization and modern analog computing.

Ising Model↗

DOE OSTI2025

The latent variable proximal point algorithm for variational problems with inequality constraints

The latent variable proximal point (LVPP) algorithm is a framework for solving infinite-dimensional variational problems with pointwise inequality constraints. The algorithm is a saddle point reformulation of the Bregman proximal point algorithm. At the continuous level, the two formulations are equivalent, but the saddle point formulation is more amenable to discretization because it introduces a structure-preserving transformation between a latent function space and the feasible set. Working in this latent space is much more convenient for enforcing inequality constraints than the feasible set, as discretizations can employ general linear combinations of suitable basis functions, and nonlinear solvers can involve general additive updates. LVPP yields numerical methods with observed mesh-independence for obstacle problems, contact, fracture, plasticity, and others besides; in many cases, for the first time. The framework also extends to more complex constraints, providing means to enforce convexity in the Monge–Ampère equation and handling quasi-variational inequalities, where the underlying constraint depends implicitly on the unknown solution. Here, in this paper, we describe the LVPP algorithm in a general form and apply it to ten problems from across mathematics.

Inequality constraints↗

DOE OSTI2022

Thermal conductivity and theory of inelastic scattering of phonons by collective fluctuations

We study the intrinsic scattering of phonons by a general quantum degree of freedom, i.e., a fluctuating “field” Q, which may have completely general correlations, restricted only by unitarity and translational invariance. From the induced scattering rates, generalizing the model studied in a companion paper [Mangeolle et al., Phys. Rev. X 12, 041031 (2022)], we obtain the consequences on the thermal conductivity tensor of the phonons. We confirm that, even within our generalized model, the off-diagonal scattering rates involve a minimum of three- to four-point correlation functions of the Q fields, and we discuss the “semiclassical” versus “quantum” nature of all contributions. We obtain general and explicit forms for these correlations which isolate the contributions to the Hall conductivity, and we provide a general discussion of the implications of symmetry and equilibrium; this elaborates on, and extends, the results of Mangeolle et al. [Phys. Rev. X 12, 041031 (2022)]. We also extend the discussion and evaluation of these two- (diagonal scattering) and four-point correlation functions, and hence the thermal transport, for the illustrative example of an ordered two-dimensional antiferromagnet, where the Q field is a composite of magnon operators arising from spin-lattice coupling, and confirm numerically that the results, while satisfying all the necessary symmetry restrictions, lead to nonvanishing scattering and Hall effects. In particular, we investigate, both analytically and numerically, the dependence of such intrinsic scattering on a crucial parameter—the magnon to phonon velocity ratio v. We in particular confirm that within some range of v of order 1 the skew-scattering mechanism leads to comparable thermal Hall conductivity for thermal currents within and normal to the plane of the antiferromagnetism, and we discover that the temperature scaling of the longitudinal conductivity displays a threshold effect and a nonuniversal, continuous variation of the scaling exponent with v.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Halfway to Zero: Progress towards a Carbon-Free Power Sector

Sharply reducing carbon emissions is imperative to prevent the worst effects of climate change. Yet even in the power sector—often viewed as the lynchpin to economy-wide decarbonization, and where low-carbon solutions are increasingly plentiful and cost-effective—the pace and scale of the required transformation can be daunting. A review of historical trends, however, shows the progress the power sector has already made in reducing emissions. Fifteen years ago, many business-as-usual projections anticipated that annual carbon dioxide (CO 2 ) emissions from power supply in the United States would reach 3,000 million metric tons (MMT) in 2020. In fact, direct power-sector CO 2 emissions in 2020 were 1,450 MMT—roughly 50% below the earlier projections. By this metric, in only 15 years the country’s power sector has gone halfway to zero emissions. Other metrics also evolved differently than projected: total consumer electricity costs (i.e., bills) were 18% lower; costs to human health and the climate were 92% and 52% lower, respectively; and the number of jobs in electricity generation was 29% higher. Economic, technical, and policy factors contributed to this success, including sectoral changes, energy efficiency, wind and solar, continued operations of the nuclear fleet, and coal-to-gas fuel switching. This historical record demonstrates the ability of technological and policy changes to set the power sector on a dramatically different emissions trajectory. Past success, however, does not trivialize the challenges that remain for further decarbonization in the power sector and beyond. Nor does it offer a specific roadmap for how best to achieve additional power-sector emissions reductions. Numerous challenges confront a zero-emissions pathway, and future strategies will likely differ from those of the past. Many recent studies have assessed how to make further progress in decarbonizing the power sector on the pathway to decarbonizing the economy as a whole. We summarize the core results of those studies, but the primary goal of this report is to highlight the progress that has already been made in reducing power-sector emissions. As the country maps out a plan for further decarbonization, experience from the past 15 years offers two central lessons. First, policy and technology advancement are imperative to achieving significant emissions reductions. Second, our ability to predict the future is limited, and so it will be crucial to adapt as we gain policy experience and as technologies advance in unexpected ways.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Asymptotic preserving methods for fluid electron-fluid models in the large magnetic field limit with mathematically guaranteed properties (Final Report)

The current manuscript is a final report on the activities carried out under the Project LDRD-CIS #226834. In scientific terms, the work reported in this manuscript is a continuation of the efforts started with Project LDRD-express #223796 with final report of activities SAND2021-11481, see [83]. In this section we briefly explain what pre-existing developments motivated the current body of work and provide an overview of the activities developed with the funds provided. The overarching goal of the current project LDRD-CIS #226834 and the previous project LDRD-express #223796 is the development of numerical methods with mathematically guaranteed properties in order to solve the Euler-Maxwell system of plasma physics and generalizations thereof. Even though Project #223796 laid out general foundations of space and time discretization of Euler-Maxwell system, overall, it was focused on the development of numerical schemes for purely electrostatic fluid-plasma models. In particular, the project developed a family of schemes with mathematically guaranteed robustness in order to solve the Euler-Poisson model. This model is an asymptotic limit where only electrostatic response of the plasma is considered. Its primary feature is the presence of a non-local force, the electrostatic force, which introduces effects with infinite speed propagation into the problem. Even though instantaneous propagation of perturbations may be considered nonphysical, there are plenty of physical regimes of technical interest where such an approximation is perfectly valid.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Maintaining Grid Reliability: Lessons From Renewable Integration Studies

The U.S. Department of Energy (DOE) and other organizations have sponsored numerous research studies over the last two decades to examine the effect of increased wind and solar deployment on grid reliability, including a number of studies that examine grids deriving more than 50% of annual energy from wind and solar. In this report, we discuss key findings from both the research body of knowledge and real-world practice related to grid reliability, and we demonstrate how to plan for and achieve continued reliability in the future as wind and solar deployment increase.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Pore architecture controls on mineral reactivity

Mineral dissolution rates measured in natural environments are much slower than those measured in laboratory settings. This project tested the hypothesis that the way fluid flows through rocks in natural systems creates areas where mineral dissolution is fast and areas where mineral dissolution is slow. This hypothesis was tested with a combination of laboratory experiments and numerical simulation. We demonstrated a separation of fluid flow pathways and rates of mineral dissolution in laboratory experiments for the first time using an experimental approach where we created synthetic rocks that have different ratios of connected and dead-end pathways for fluid flow. In laboratory experiments with higher proportions of dead-end pathways, the mineral dissolution rates were slower. We found that where fluid flows through connected pathways the continuous refreshing of fluid at the mineral surface creates conditions where dissolution is fast. In contrast, where fluid either flows slowly through poorly connected pathways or is stagnant in dead-end pathways, mineral dissolution is slow. The results from this project suggest that the overall slowing of rates of mineral dissolution is important when the proportion of dead-end pathways is greater than ~40%. This project informs our understanding of the way that fluids react with rocks in carbon dioxide sequestration and enhanced geothermal projects where fluids are purposefully injected into rocks for energy applications.

58 GEOSCIENCES↗

NASA NTRS1993

Basic studies of baroclinic flows

A fully nonlinear 3-dimensional numerical model (GEOSIM), previously developed and validated for several cases of geophysical fluid flow, has been used to investigate the dynamical behavior of laboratory experiments of fluid flows similar to those of the Earth's atmosphere. The phenomena investigated are amplitude vacillation, and the response of the fluid system to uneven heating and cooling. The previous year's work included hysteresis in the transition between axisymmetric and wave flow. Investigation is also continuing of the flows in the Geophysical Fluid Flow Cell (GFFC), a low-gravity Spacelab experiment. Much of the effort in the past year has been spent in validation of the model under a wide range of external parameters including nonlinear flow regimes. With the implementation of a 3-dimensional upwind differencing scheme, higher spectral resolution, and a shorter time step, the model has been found capable of predicting the majority of flow regimes observed in one complete series of baroclinic annulus experiments of Pfeffer and co-workers. Detailed analysis of amplitude vacillation has revealed that the phase splitting described in the laboratory experiments occurs in some but not all cases. Through the use of animation of the models output, a vivid 3-dimensional view of the phase splitting was shown to the audience of the Southeastern Geophysical Fluid Dynamics Conference in March of this year. A study on interannual variability was made using GEOSIM with periodic variations in the thermal forcing. Thus far, the model has not predicted a chaotic behavior as observed in the experiments, although there is a sensitivity in the wavenumber selection to the initial conditions. Work on this subject, and on annulus experiments with non-axisymmetric thermal heating, will continue. The comparison of GEOSIM's predictions will result from the Spacelab 3 GFFC experiments continued over the past year, on a 'back-burner' basis. At this point, the study (in the form of a draft of a journal article) is nearly completed. The results from GEOSIM compared very well with the experiments, and the use of the model allows the demonstration of flow mechanics that were not possible with the experimental data. For example, animation of the model output shows that the forking of the spiral bands is a transient phenomenon, due to the differential east-west propagation of convection bands from different latitudes.

Miller, Timothy L.↗

NASA NTRS1999

Eigenmodes of Ducted Flows With Radially-Dependent Axial and Swirl Velocity Components

This report characterizes the sets of small disturbances possible in cylindrical and annular ducts with mean flow whose axial and tangential components vary arbitrarily with radius. The linearized equations of motion are presented and discussed, and then exponential forms for the axial, circumferential, and time dependencies of any unsteady disturbances are assumed. The resultant equations form a generalized eigenvalue problem, the solution of which yields the axial wavenumbers and radial mode shapes of the unsteady disturbances. Two numerical discretizations are applied to the system of equations: (1) a spectral collocation technique based on Chebyshev polynomial expansions on the Gauss-Lobatto points, and (2) second and fourth order finite differences on uniform grids. The discretized equations are solved using a standard eigensystem package employing the QR algorithm. The eigenvalues fall into two primary categories: a discrete set (analogous to the acoustic modes found in uniform mean flows) and a continuous band (analogous to convected disturbances in uniform mean flows) where the phase velocities of the disturbances correspond to the local mean flow velocities. Sample mode shapes and eigensystem distributions are presented for both sheared axial and swirling flows. The physics of swirling flows is examined with reference to hydrodynamic stability and completeness of the eigensystem expansions. The effect of assuming exponential dependence in the axial direction is discussed.

Kousen, Kenneth A.↗

NASA NTRS2003

Optimal Area Profiles for Ideal Single Nozzle Air-Breathing Pulse Detonation Engines

The effects of cross-sectional area variation on idealized Pulse Detonation Engine performance are examined numerically. A quasi-one-dimensional, reacting, numerical code is used as the kernel of an algorithm that iteratively determines the correct sequencing of inlet air, inlet fuel, detonation initiation, and cycle time to achieve a limit cycle with specified fuel fraction, and volumetric purge fraction. The algorithm is exercised on a tube with a cross sectional area profile containing two degrees of freedom: overall exit-to-inlet area ratio, and the distance along the tube at which continuous transition from inlet to exit area begins. These two parameters are varied over three flight conditions (defined by inlet total temperature, inlet total pressure and ambient static pressure) and the performance is compared to a straight tube. It is shown that compared to straight tubes, increases of 20 to 35 percent in specific impulse and specific thrust are obtained with tubes of relatively modest area change. The iterative algorithm is described, and its limitations are noted and discussed. Optimized results are presented showing performance measurements, wave diagrams, and area profiles. Suggestions for future investigation are also discussed.

Paxson, Daniel E.↗

DOE OSTI2025

Relativistic gas accretion onto supermassive black hole binaries from inspiral through merger

Accreting supermassive black hole binaries are powerful multimessenger sources emitting both gravitational and electromagnetic (EM) radiation. Understanding the accretion dynamics of these systems and predicting their distinctive EM signals is crucial to informing and guiding upcoming efforts aimed at detecting gravitational waves produced by these binaries. To this end, accurate numerical modeling is required to describe both the spacetime and the magnetized gas around the black holes. In this paper, we present two key advances in this field of research. First, we have developed a novel 3D general relativistic magnetohydrodynamics (GRMHD) framework that combines multiple numerical codes to simulate the inspiral and merger of supermassive black hole binaries starting from realistic initial data and running all the way through merger. Throughout the evolution, we adopt a simple but functional prescription to account for gas cooling through photon emission. Next, we have applied our new computational method to follow the time evolution of a circular, equal-mass, nonspinning black hole binary for ∼200 orbits, starting from a separation of 20⁢𝑟 𝑔 and reaching the postmerger evolutionary stage of the system. We have shown how mass continues to flow toward the binary even after the binary “decouples” from its surrounding disk, but the accretion rate onto the black holes diminishes. We have identified how the minidisks orbiting each black hole are slowly drained and eventually dissolve as the binary compresses. We confirm previous findings that the system’s luminosity decreases by a factor of a few during inspiral; however, we observe an abrupt increase by ∼50% in this quantity at the time of merger, likely accompanied by an equally abrupt change in spectrum. Lastly, we have demonstrated that during the inspiral, fluid ram pressure regulates the fraction of the magnetic flux transported to the binary that attaches to the black holes’ horizons.

Accretion disk & black-hole plasma↗

DOE OSTI2020

Optimal economic operation of liquid petroleum products pipeline systems

The majority of overland transport needs for crude petroleum and refined petroleum products are met using pipelines. Numerous studies have developed optimization methods for design of these systems in order to minimize construction costs while meeting capacity requirements. Here, we formulate problems to optimize the operations of existing single liquid commodity pipeline systems subject to physical flow and pump engineering constraints. The objectives are to maximize the economic value created for users of the system and to minimize operating costs. We present a general computational method for this class of continuous, non-convex nonlinear programs, and examine the use of pump operating settings and flow allocations as decision variables. Furthermore, the approach is applied to compute optimal operating regimes and perform engineering economic sensitivity analyses for a case study of a crude oil pipeline developed using publicly available data.

02 PETROLEUM↗

DOE OSTI2020

Scattering using real-time path integrals

Background: Path integrals are a powerful tool for solving problems in quantum theory that are not amenable to a treatment by perturbation theory. Most path integral computations require an analytic continuation to imaginary time. While imaginary time treatments of scattering are possible, imaginary time is not a natural framework for treating scattering problems. More importantly, quantum algorithms for calculating path integrals require real-time evolution. Purpose: Here, we test a recently introduced method for performing direct calculations of scattering observables using real-time path integrals in order to understand the challenges facing real-time path integral calculations of scattering observables. Method: The computations are based on a new interpretation of the path integral as the expectation value of a potential functional on cylinder sets of continuous paths with respect to a complex probability distribution. The method can in principle be applied to arbitrary short-range potentials. Results: The method is applied to compute matrix elements of Møller wave operators applied to narrow wave packets. These are used to calculate half-shell sharp-momentum transition matrix elements for one-dimensional potential scattering. The calculations for half-shell transition operator matrix elements converge to the numerical solution of the Lippmann-Schwinger equation. Conclusions: This work presents a proof in principle that scattering observables can be computed using real-time Feynman path integrals. While the computational method is not efficient, it can be improved. It provides a laboratory for studying quantum computational algorithms that are applicable to scattering problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Initial OpenStudio Profiling Results

OpenStudio’s performance has not historically been an area of much work, but as it has successfully replaced ad hoc model generation solutions, the performance of the software is more and more central to continuing success. This report describes an initial effort to profile OpenStudio, describes the problems encountered, the solutions to those problems, and some early recommendations for further work should funding become available. The approach taken here is to use special software, referred to as profilers, to assess the code and how it executes. This approach is more appropriate for this kind of software than the checkpoint-style timing that is often done with numerical codes. Profiling was most successful on the MacOS platform, where Apple’s Instruments software was able to decipher the complexities of OpenStudio’s command line execution of a workflow. Even with the limited exploration of performance done here, the team quickly ran into limitations imposed on the code by the stateless architecture, and the team recommends an evaluation of this architecture as a good next step to improve performance.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

PHEV Distribution Grid Integration and Smart Systems Testing: Cooperative Research and Development Final Report

To continue NREL's mission, which includes preparing technologies and markets with "speed and scale," NREL researchers will collaborate with Toyota on plug-in electric vehicle technology. Toyota will provide a collection of plug-in hybrid electric vehicles ("PHEVs" [and ultimately including PEVs], collectively, the "Vehicles") to conduct infrastructure interaction testing at NREL facilities. NREL will use available resources in the Vehicle Testing and Integration Facility (VTIF), its staff parking garage with numerous commercial Electric Vehicle Supply Equipment ("EVSEs"), and its Energy Systems Integration Facility (ESIF) to safely execute research experiments that highlight potential distribution system power quality challenges related to plug-in electric vehicles. The expected outcome of this project is a better understanding of the correlation of individual vehicle power quality attributes to a system of vehicles on a distribution network. The data collected and the simulations conducted will be used to guide future experiments and project development that aid in the deployment of plug-in electric vehicles ("PEV").

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Acceptance criteria for in situ surveillance of MSR materials based on thermally-loaded mechanical test articles

This report describes practices and acceptance test procedures for designing, running, and maintaining a material surveillance program in a future operating molten salt reactor. The programs described here rely on test data from passively actuated mechanical test articles inserted into critical regions of the reactor and periodically removed for out-of-reactor testing. The report defines definite acceptance procedures, based on the results of these tests, to determine whether a component can continue to operate accounting for the accumulation of environmentally-assisted mechanical damage in the component materials to date, and extrapolated out through the next inspection period. Additionally, the report describes work on a software tool implementing many of the surveillance methods and procedures described here and progress on simplified methods for inferring damage accumulation in the test articles, based on out-of-reactor thermal cycling, that do not rely on sophisticated numerical analysis.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Scientific challenges to characterizing the wind resource in the marine atmospheric boundary layer

Abstract. With the increasing level of offshore wind energy investment, it is correspondingly important to be able to accurately characterize the wind resource in terms of energy potential as well as operating conditions affecting wind plant performance, maintenance, and lifespan. Accurate resource assessment at a particular site supports investment decisions. Following construction, accurate wind forecasts are needed to support efficient power markets and integration of wind power with the electrical grid. To optimize the design of wind turbines, it is necessary to accurately describe the environmental characteristics, such as precipitation and waves, that erode turbine surfaces and generate structural loads as a complicated response to the combined impact of shear, atmospheric turbulence, and wave stresses. Despite recent considerable progress both in improvements to numerical weather prediction models and in coupling these models to turbulent flows within wind plants, major challenges remain, especially in the offshore environment. Accurately simulating the interactions among winds, waves, wakes, and their structural interactions with offshore wind turbines requires accounting for spatial (and associated temporal) scales from O(1 m) to O(100 km). Computing capabilities for the foreseeable future will not be able to resolve all of these scales simultaneously, necessitating continuing improvement in subgrid-scale parameterizations within highly nonlinear models. In addition, observations to constrain and validate these models, especially in the rotor-swept area of turbines over the ocean, remains largely absent. Thus, gaining sufficient understanding of the physics of atmospheric flow within and around wind plants remains one of the grand challenges of wind energy, particularly in the offshore environment. This paper provides a review of prominent scientific challenges to characterizing the offshore wind resource using as examples phenomena that occur in the rapidly developing wind energy areas off the United States. Such phenomena include horizontal temperature gradients that lead to strong vertical stratification; consequent features such as low-level jets and internal boundary layers; highly nonstationary conditions, which occur with both extratropical storms (e.g., nor'easters) and tropical storms; air–sea interaction, including deformation of conventional wind profiles by the wave boundary layer; and precipitation with its contributions to leading-edge erosion of wind turbine blades. The paper also describes the current state of modeling and observations in the marine atmospheric boundary layer and provides specific recommendations for filling key current knowledge gaps.

17 WIND ENERGY↗