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DOE OSTI2018

Final technical report

This final report covers the final year of the project. Reports from previous years were included in the group report for that year. The objective of this part of the project was to compare results from two large-scale, nonlinear plasma simulation codes based on magnetohydrodynamics, M3D and M3D-C1, for plasma edge instabilities. This is a difficult undertaking and the comparison was only partially successful because, while the MHD equations are standard, there are a number of valid MHD models of the plasma dissipation that make different approximations to their physics and the numerical implementation of a given model can be quite different depending on the way that the rest of the equations are solved. Large differences arise, and have major effects on the predicted plasma behavior, in the case of the greatest interest to this project, the plasma edge region under conditions where the plasma edge instabilities are strongest and the background plasma changes abruptly from interior hot, dense conditions to an unconfined, cool, diffuse plasma outside the magnetic boundary surface. Experimental observations only partially measure the background plasma and there are many non-MHD processes that can have important effects (studied in the rest of the project). Comparisons for edge instabilities at very small amplitude, the so-called linear modes, had showed good agreement for a few interior plasma instabilities, but strong differences between the default models for the plasma edge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Improved CdTe PLR Estimates: Self-Shading and Spectral Mismatch

The RdTools year-on-year method of estimating performance loss rate (PLR) employs a simple normalization to remove the confounding effect of irradiance and temperature variation. However, the normalization's assumption that PV production scales linearly with in-plane broadband irradiance is a worse approximation for CdTe and other technologies with larger spectral sensitivities than it is for the more common c-Si technology. Additionally, CdTe systems using single-axis trackers (-20% of installed US utility-scale capacity) are subject to self-shading in the morning and afternoon, introducing another nonlinearity between PV output and broadband irradiance. Ignoring these effects may subject the estimated PLR to increased uncertainty, and perhaps bias, depending on the character of their short- and long-term variability. In this work we show that including self-shading and spectral mismatch models in the normalization for tracking CdTe systems can result not only in tighter PLR confidence intervals but different median PLRs as well. The shading and spectral models are kept simple to maintain consistency with the RdTools ethos of not requiring detailed system metadata or unusual measurements.

CdTe↗
DOE OSTI2014

The effects of structure anisotropy on lensing observables in an exact general relativistic setting for precision cosmology

The study of relativistic, higher order, and nonlinear effects has become necessary in recent years in the pursuit of precision cosmology. We develop and apply here a framework to study gravitational lensing in exact models in general relativity that are not restricted to homogeneity and isotropy, and where full nonlinearity and relativistic effects are thus naturally included. We apply the framework to a specific, anisotropic galaxy cluster model which is based on a modified NFW halo density profile and described by the Szekeres metric. We examine the effects of increasing levels of anisotropy in the galaxy cluster on lensing observables like the convergence and shear for various lensing geometries, finding a strong nonlinear response in both the convergence and shear for rays passing through anisotropic regions of the cluster. Deviation from the expected values in a spherically symmetric structure are asymmetric with respect to path direction and thus will persist as a statistical effect when averaged over some ensemble of such clusters. The resulting relative difference in various geometries can be as large as approximately 2%, 8%, and 24% in the measure of convergence (1−κ) for levels of anisotropy of 5%, 10%, and 15%, respectively, as a fraction of total cluster mass. For the total magnitude of shear, the relative difference can grow near the center of the structure to be as large as 15%, 32%, and 44% for the same levels of anisotropy, averaged over the two extreme geometries. The convergence is impacted most strongly for rays which pass in directions along the axis of maximum dipole anisotropy in the structure, while the shear is most strongly impacted for rays which pass in directions orthogonal to this axis, as expected. The rich features found in the lensing signal due to anisotropic substructure are nearly entirely lost when one treats the cluster in the traditional FLRW lensing framework. These effects due to anisotropic structures are thus likely to impact lensing measurements and must be fully examined in an era of precision cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Inviscid evolution of large amplitude filaments in a uniform gravity field

The inviscid evolution of localized density stratifications under the influence of a uniform gravity field in a homogeneous, ambient background is studied. The fluid is assumed to be incompressible, and the stratification, or filament, is assumed to be initially isotropic and at rest. It is shown that the center of mass energy can be related to the center of mass position in a form analogous to that of a solid object in a gravity field g by introducing an effective gravity field g{sub eff}, which is less than g due to energy that goes into the background and into non-center of mass motion of the filament. During the early stages of the evolution, g{sub eff} is constant in time and can be determined from the solution of a 1D differential equation that depends on the initial, radially varying density profile of the filament. For small amplitude filaments such that ρ{sub 0} ≪ 1, where ρ{sub 0} is the relative amplitude of the filament to the background, the early stage g{sub eff} scales linearly with ρ{sub 0}, but as ρ{sub 0}→∞, g{sub eff}→g and is thus independent of ρ{sub 0}. Fully nonlinear simulations are performed for the evolution of Gaussian filaments, and it is found that the time t{sub max}, which is defined as the time for the center of mass velocity to reach its maximum value U{sub max}, occurs very soon after the constant acceleration phase and so U{sub max}≈g{sub eff}(t=0)t{sub max}. The simulation results show that U{sub max}∼1/t{sub max}∼√(ρ{sub 0}) for ρ{sub 0} ≪ 1, in agreement with theory and results from previous authors, but that U{sub max} and t{sub max} both scale approximately with √(ρ{sub 0}) for ρ{sub 0} ≫ 1. The fact that U{sub max} and t{sub max} have the same scaling with ρ{sub 0} for large amplitude filaments is in agreement with the theory presented in this paper.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

X-ray diffraction at the National Ignition Facility

We report details of an experimental platform implemented at the National Ignition Facility to obtain in situ powder diffraction data from solids dynamically compressed to extreme pressures. Thin samples are sandwiched between tamper layers and ramp compressed using a gradual increase in the drive-laser irradiance. Pressure history in the sample is determined using high-precision velocimetry measurements. Up to two independently timed pulses of x rays are produced at or near the time of peak pressure by laser illumination of thin metal foils. The quasi-monochromatic x-ray pulses have a mean wavelength selectable between 0.6 Å and 1.9 Å depending on the foil material. The diffracted signal is recorded on image plates with a typical 2 θ x-ray scattering angle uncertainty of about 0.2° and resolution of about 1°. Analytic expressions are reported for systematic corrections to 2 θ due to finite pinhole size and sample offset. A new variant of a nonlinear background subtraction algorithm is described, which has been used to observe diffraction lines at signal-to-background ratios as low as a few percent. Variations in system response over the detector area are compensated in order to obtain accurate line intensities; this system response calculation includes a new analytic approximation for image-plate sensitivity as a function of photon energy and incident angle. This experimental platform has been used up to 2 TPa (20 Mbar) to determine the crystal structure, measure the density, and evaluate the strain-induced texturing of a variety of compressed samples spanning periods 2–7 on the periodic table.

47 OTHER INSTRUMENTATION↗
DOE OSTI2013

Magnetohydrodynamic modeling of the solar eruption on 2010 April 8

The structure of the coronal magnetic field prior to eruptive processes and the conditions for the onset of eruption are important issues that can be addressed through studying the magnetohydrodynamic (MHD) stability and evolution of nonlinear force-free field (NLFFF) models. This paper uses data-constrained NLFFF models of a solar active region (AR) that erupted on 2010 April 8 as initial conditions in MHD simulations. These models, constructed with the techniques of flux rope insertion and magnetofrictional relaxation (MFR), include a stable, an approximately marginally stable, and an unstable configuration. The simulations confirm previous related results of MFR runs, particularly that stable flux rope equilibria represent key features of the observed pre-eruption coronal structure very well, and that there is a limiting value of the axial flux in the rope for the existence of stable NLFFF equilibria. The specific limiting value is located within a tighter range, due to the sharper discrimination between stability and instability by the MHD description. The MHD treatment of the eruptive configuration yields a very good agreement with a number of observed features, like the strongly inclined initial rise path and the close temporal association between the coronal mass ejection and the onset of flare reconnection. Minor differences occur in the velocity of flare ribbon expansion and in the further evolution of the inclination; these can be eliminated through refined simulations. We suggest that the slingshot effect of horizontally bent flux in the source region of eruptions can contribute significantly to the inclination of the rise direction. Finally, we demonstrate that the onset criterion, formulated in terms of a threshold value for the axial flux in the rope, corresponds very well to the threshold of the torus instability in the considered AR.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Stability and response of trapped solitary wave solutions of coupled nonlinear Schrödinger equations in an external, $\mathcal{PT}$- and supersymmetric potential

In this work, we present trapped solitary wave solutions of a coupled nonlinear Schrödinger (NLS) system in 1 + 1 dimensions in the presence of an external, supersymmetric and complex $\mathcal{PT}$-symmetric potential. The Schrödinger system this work focuses on possesses exact solutions whose existence, stability, and spatio-temporal dynamics are investigated by means of analytical and numerical methods. Two different variational approximations are considered where the stability and dynamics of the solitary waves are explored in terms of eight and twelve time-dependent collective coordinates (CCs). We find regions of stability for specific potential choices as well as analytic expressions for the small oscillation frequencies in the CC approximation. Our findings are further supported by performing systematic numerical simulations of the NLS system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Graphene-doped polymer nanofibers for low-threshold nonlinear optical waveguiding

Graphene-doped polymer nanofibers are fabricated by taper drawing of solvated polyvinyl alcohol doped with liquid-phase exfoliated graphene flakes. Nanofibers drawn this way typically have diameters measured in hundreds of nanometers and lengths in tens of millimeters; they show excellent uniformity and surface smoothness for optical waveguiding. Owing to their tightly confined waveguiding behavior, light–matter interaction in these subwavelength-diameter nanofibers is significantly enhanced. Using approximately 1350-nm-wavelength femto-second pulses, we demonstrate saturable absorption behavior in these nanofibers with a saturation threshold down to 0.25 pJ pulse -1 (peak power ~1.3 W). Additionally, using 1064-nm-wavelength nanosecond pulses as switching light, we show all-optical modulation of a 1550-nm-wavelength signal light guided along a single nanofiber with a switching peak power of ~3.2 W.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Microwave Heating of a Liquid Stably Flowing in a Circular Channel Under the Conditions of Nonstationary Radiative-Convective Heat Transfer

A class of nonlinear problems of nonstationary radiative-convective heat transfer under the microwave action with a small penetration depth is considered in a stabilized coolant flow in a circular channel. The solutions to these problems are obtained, using asymptotic procedures at the stages of nonstationary and stationary convective heat transfer on the heat-radiating channel surface. The nonstationary and stationary stages of the solution are matched, using the 'longitudinal coordinate–time' characteristic. The approximate solutions constructed on such principles correlate reliably with the exact ones at the limiting values of the operation parameters, as well as with numerical and experimental data of other researchers. An important advantage of these solutions is that they allow the determination of the main regularities of the microwave and thermal radiation influence on convective heat transfer in a channel even before performing cumbersome calculations. It is shown that, irrespective of the heat exchange regime (nonstationary or stationary), the Nusselt number decreases and the rate of the surface temperature change increases with increase in the intensity of thermal action.

42 ENGINEERING↗
DOE OSTI2017

On the nonlinearity of spatial scales in extreme weather attribution statements

In the context of continuing climate change, extreme weather events are drawing increasing attention from the public and news media. A question often asked is how the likelihood of extremes might have changed by anthropogenic greenhouse-gas emissions. Answers to the question are strongly influenced by the model used, duration, spatial extent, and geographic location of the event—some of these factors often overlooked. Using output from four global climate models, we provide attribution statements characterised by a change in probability of occurrence due to anthropogenic greenhouse-gas emissions, for rainfall and temperature extremes occurring at seven discretised spatial scales and three temporal scales. An understanding of the sensitivity of attribution statements to a range of spatial and temporal scales of extremes allows for the scaling of attribution statements, rendering them relevant to other extremes having similar but non-identical characteristics. This is a procedure simple enough to approximate timely estimates of the anthropogenic contribution to the event probability. Furthermore, since real extremes do not have well-defined physical borders, scaling can help quantify uncertainty around attribution results due to uncertainty around the event definition. Results suggest that the sensitivity of attribution statements to spatial scale is similar across models and that the sensitivity of attribution statements to the model used is often greater than the sensitivity to a doubling or halving of the spatial scale of the event. The use of a range of spatial scales allows us to identify a nonlinear relationship between the spatial scale of the event studied and the attribution statement.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Hot-electron generation by “cavitating” Langmuir turbulence in the nonlinear stage of the two-plasmon–decay instability

The kinetic reduced-description particle-in-cell simulation technique has been applied to study the nonlinear stage of two-plasmon–decay (TPD) instability in an inhomogeneous plasma driven by crossed laser beams. The TPD instability is found to be a prolific generator of “cavitating” Langmuir turbulence. Langmuir “cavitons”—localized longitudinal electric fields, oscillating near the local electron plasma frequency, trapped in ponderomotive density depressions—collapse to dimensions of a few electron Debye lengths, where the electric field energy is collisionlessly transferred to electron kinetic energy. The resulting hot electrons can attain instantaneous temperatures up to 100 keV with net suprathermal heat flux out of the system of up to a few percent of the input laser energy. Scaling laws for this hot-electron generation by TPD, in regimes motivated by recent experiments on the Omega laser, were presented recently by Vu et al. (H. X. Vu, D. F. DuBois, D. A. Russell, and J. F. Myatt, Phys. Plasmas 19, 102703 (2012)). This paper concentrates on the microscopic mechanisms for hot-electron generation. The spatial distribution of the maxima of the electric field envelope modulus is found to be very spiky, with the distribution of electric field envelope maxima obeying Gaussian statistics. The cavitons are produced in density-depletion trenches produced by the combined ponderomotive interference of the crossed laser beams and the ponderomotive beats of the primary backward-going TPD Langmuir waves (LWs) resulting from the crossed beams. The Langmuir turbulence is strongest in the electron-density region near 0.241× the laser's critical density, where the forward LWs from the crossed-beam TPD are degenerate. Nucleation of cavitons is assisted by the modulation of the electron density in the trenches, which in turn is caused by the beating of the common forward-going LW and the pair of backward-going LWs. The autocorrelation function of the LW envelope field provides a near-universal shape for intense cavitons—in the neighborhood of the local field maxima. The hot-electron temperature is found to be approximately a linear function of the “caviton temperature” determined from the Gaussian distribution of caviton maxima. These diagnostics provide strong evidence for the importance of Langmuir caviton collapse in the generation of hot electrons by TPD. Extended Zakharov model predictions for TPD exhibit the same qualitative phenomena.

Vu, H. X.↗
DOE OSTI2016

Formulation and numerical analysis of a fully-coupled dynamically deforming electromagnetic wire

Here, an electromagnetic beam model is developed for the simulation of actuated electronic textiles. The beam is solved using a nonlinear director-based kinematic description with additional temperature and electric potential fields along its length. The three fields are fully coupled by mutual dependences on the deformation, Lorenz force, back electromotive force, temperature dependent constitutive responses, and the Seebeck effect. Instead of solving Maxwell's equations in full detail, a quasistatic approximation is used to solve the electric potential in the presence of a moving material medium. The current-carrying beam approximation is used to further simplify the solution space for the potential. While this formulation alleviates the spatial and temporal discretization restrictions, the coupled problem is an index-1 semi-explicit Differential Algebraic Equation requiring special treatment. The time dependent problem is solved using different Runge-Kutta methods. Diagonally implicit Runge-Kutta methods and explicit Runge-Kutta methods using implicit solution of the electric potential problem are explored. The finite element model is implemented using the open source package FEniCS, which is able to automatically generate the linearizations of the multiphysics equations required for the implicit solutions. A model problem is constructed with which to test and analyze the physical formulation and numerical solution techniques. The time stepping methods are verified using the convergence orders of the higher-order Runge-Kutta methods. Runtime comparisons show that the explicit methods are generally more computationally efficient than the implicit schemes used for this problem. For the implicit schemes, a staggered solution is significantly faster than a monolithic solution at most time step sizes. However, at very large time steps, such as those that would be used for dynamic relaxation, the monolithic solution can be more efficient than the staggered solution.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Test-Based Calibration of Safety Factors for Capacity Models

In this paper, a simple procedure to calibrate the safety factor of capacity models is presented. The calibration can be carried out based on any available database of experimental tests, even of limited size. The procedure aims to assess the model capability of predicting the test results and to calibrate the safety factor so that the capacity equation meets the target reliability level required by the code or sought by the calibrator. After predicting each test of the database with the capacity equation under consideration, the test-prediction pairs are checked for the property of linearity, and the relative error for the properties of homoscedasticity and normality. Once these properties are fulfilled—which may require a nonlinear transformation of the test values and/or the predictions—the closed-form equation proposed in this paper is employed to compute a target design value. The model safety factor is finally obtained by comparing such target design value with the design value obtained from the code. The paper also proposes two approximate analytical equations to compute the tolerance factor, used to attain any given fractile, as a function of the (even small) number of tests, with any assigned confidence level. A fundamental outcome of the procedure is that it yields an objective indicator of the model accuracy, measured by the standard deviation of its error, which may be regarded as a parameter useful for selecting the most reliable model among different competing ones. In the long run, the application of the proposed procedure will allow achieving a uniform reliability level throughout all capacity models used in codes and guidelines. A further advantage is that the partial safety factors so derived can be straightforwardly updated when more experiments become available. Finally, as an example, the proposed procedure is herein applied to the ACI 318 shear design capacity equation for concrete members unreinforced in shear.

42 ENGINEERING↗
DOE OSTI2022

Data-driven linear time advance operators for the acceleration of plasma physics simulation

In this study, we demonstrate the application of data-driven linear operator construction for time advance with a goal of accelerating plasma physics simulation. We apply dynamic mode decomposition (DMD) to data produced by the nonlinear SOLPS-ITER (Scrape-off Layer Plasma Simulator - International Thermonuclear Experimental Reactor) plasma boundary code suite in order to estimate a series of linear operators and monitor their predictive accuracy via online error analysis. We find that this approach defines when these dynamics can be represented by a sequence of approximate linear operators and is essential for providing consistent projections when compared to an unconstrained application. For linear diffusion and advection–diffusion fluid test problems, we construct and apply operators within explicit and implicit time advance schemes, demonstrating that stability can be robustly guaranteed in each case. We further investigate the use of the linear time advance operators within several integration methods including forward Euler, backward Euler, and the matrix exponential. The application of this method to simulation data from SOLPS-ITER, with varying levels of Markov chain Monte Carlo numerical noise, shows that constrained DMD operators yield a capability to identify, extract, and integrate a (slow) subset of the present timescales. Example applications show that for projected speedup factors of [Formula: see text], and [Formula: see text], a mean relative error of 3%, 5%, and 8% and maximum relative error less than 20% are achievable, which appears acceptable for typical SOLPS-ITER steady-state simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Designing stellarator coils by a modified Newton method using FOCUS

To find the optimal coils for stellarators, nonlinear optimization algorithms are applied in existing coil design codes. However, none of these codes have used the information from the second-order derivatives. In this paper, we present a modified Newton method in the recently developed code FOCUS. The Hessian matrix is calculated with analytically derived equations. Its inverse is approximated by a modified Cholesky factorization and applied in the iterative scheme of a classical Newton method. Using this method, FOCUS is able to recover the W7-X modular coils starting from a simple initial guess. Results demonstrate significant advantages.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Solitary waves in the nonlinear Dirac equation in the presence of external driving forces

In this paper, we consider the nonlinear Dirac (NLD) equation in (1 + 1) dimensions with scalar–scalar self interaction g 2 /κ + 1 (Ψ¯Ψ) κ + 1 in the presence of external forces as well as damping of the form f(x) - iμγ 0 Ψ, where both f and Ψ are two-component spinors. We develop an approximate variational approach using collective coordinates (CC) for studying the time dependent response of the solitary waves to these external forces. This approach predicts intrinsic oscillations of the solitary waves, i.e. the amplitude, width and phase all oscillate with the same frequency. The translational motion is also affected, because the soliton position oscillates around a mean trajectory. For κ = 1 we solve explicitly the CC equations of the variational approximation for slow moving solitary waves in a constant external force without damping and find reasonable agreement with solving numerically the CC equations. Finally, we then compare the results of the variational approximation with no damping with numerical simulations of the NLD equation for κ = 1, when the components of the external force are of the form f j = r j exp(–iΚx) and again find agreement if we take into account a certain linear excitation with specific wavenumber that is excited together with the intrinsic oscillations such that the momentum in a transformed NLD equation is conserved.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Uncovering extreme nonlinear dynamics in solids through time-domain field analysis

Time-domain analysis of harmonic fields with sub-cycle resolution is now experimentally viable due to the emergence of sensitive, on-chip techniques for petahertz-scale optical-field sampling. We demonstrate how such a time-domain, field-resolved analysis uncovers the extreme nonlinear electron dynamics responsible for high-harmonic generation within solids. Time-dependent density functional theory was used to simulate harmonic generation from a solid-state band-gap system driven by near- to mid-infrared waveforms. Particular attention was paid to regimes where both intraband and interband emission mechanisms play a critical role in shaping the nonlinear response. We show that a time-domain analysis of the harmonic radiation fields identifies the interplay between intra- and interband dynamical processes underlying the nonlinear light generation. With further analysis, we show that changes to the dominant emission regime can occur after only slight changes to the peak driving intensity and central driving wavelength. Furthermore, time-domain analysis of harmonic fields also reveals, for the first time, the possibility of rapid changes in the dominant emission mechanism within the temporal window of the driving pulse envelope. Finally, we examine the experimental viability of performing time-domain analysis of harmonic fields with sub-cycle resolution using realistic parameters.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Average nonlinear dynamics of particles in gravitational pulses: Effective Hamiltonian, secular acceleration, and gravitational susceptibility

Particles interacting with a prescribed quasimonochromatic gravitational wave (GW) exhibit secular (average) nonlinear dynamics that can be described by Hamilton’s equations. We derive the Hamiltonian of this “ponderomotive” dynamics to the second order in the GW amplitude for a general background metric. For the special case of vacuum GWs, we show that our Hamiltonian is equivalent to that of a free particle in an effective metric, which we calculate explicitly. We also show that already a linear GW pulse displaces a particle from its unperturbed trajectory by a finite distance that is independent of the GW phase and proportional to the integral of the pulse intensity.This effect is independent from the nonlinear memory effects that has been known. We calculate the particle displacement analytically and show that our result is in agreement with numerical simulations. We also show how the Hamiltonian of the nonlinear averaged dynamics naturally leads to the concept of the linear gravitational susceptibility of a particle gas with an arbitrary phase-space distribution. We calculate this susceptibility explicitly to apply it, in a follow-up paper, toward studying self-consistent GWs in inhomogeneous media within the geometrical-optics approximation

79 ASTRONOMY AND ASTROPHYSICS↗