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Generalized analytical and numerical modeling of optical second harmonic generation in anisotropic crystals and complex heterostructures using #SHAARP package

Optical second harmonic generation (SHG) is a nonlinear optical effect widely used for nonlinear optical microscopy and laser frequency conversion. The closed-form analytical solution of the nonlinear optical responses is essential for evaluating the optical responses of new materials whose optical properties are unknown a priori. Many approximations have therefore been employed in the existing analytical approaches, such as slowly varying approximation, weak reflection of the nonlinear polarization, transparent medium, high crystallographic symmetry, Kleinman symmetry, easy crystal orientation along a high-symmetry direction, phase matching conditions and negligible interference among nonlinear waves, which may lead to large errors in the reported material properties. To avoid these approximations, here we have developed an open-source package named Second Harmonic Analysis of Anisotropic Rotational Polarimetry (#SHAARP) for single interface (si) and in multilayers (ml) for homogeneous crystals. The reliability and accuracy are established by experimentally benchmarking with both the SHG polarimetry and Maker fringes predicted from the package using standard materials. SHAARP.si and SHAARP.ml are available through GitHub https://github.com/Rui-Zu/SHAARP and https://github.com/bzw133/SHAARP.ml, respectively.

complex systems↗

Estimating epistemic uncertainty in soil parameters for nonlinear site response analyses: Introducing the Latin Hypercube Sampling technique

This study quantifies the effects of epistemic uncertainty in soil parameters on nonlinear (NL) site response analysis (SRA) results, validated against the data recorded at a well-instrumented geotechnical downhole array located in Japan. To this end, a one-dimensional soil column model of the Service Hall Array (SHA) near the Kashiwazaki-Kariwa Nuclear Power Plant (KKNPP) is developed using the finite element (FE) program LS-DYNA. The dynamic stress–strain relationship is characterized by a modified two-stage hyperbolic (MTH) NL backbone curve formulation capable of capturing soil behavior at both small- and large-shear strains. The model is then validated against the ground motion recordings to capture the model bias. The uncertainties associated with the shear-wave velocity profile (a small-strain soil property) and soil shear strength (a large-strain soil property) are incorporated in NL SRA to quantify their separate and joint randomization effects on the results. This study proposes using the Latin Hypercube Sampling (LHS) method as an efficient alternative to commonly used methods, such as Standard Monte Carlo (SMC), to account for uncertainty propagation in such reliability analysis. Both low-intensity and design-level records from the recordings at the SHA are applied to study the contribution of the small- and large-strain NL dynamic soil properties. Results from 46,200 NL FE analyses (23,100 per input motion) are presented. Measured and predicted site response, using recorded ground motions at this downhole array, is compared to assess the significance of soil parameter uncertainty on the observed ground motion dispersions. It is demonstrated that increasing the number of soft realizations and implementing higher level earthquake intensity lead to higher ground motion dispersion. Unlike past studies in randomization of Vs profiles with the SMC method, the LHS method is shown to have no significant effect on the predicted median surface response spectra and amplification factors (AFs) for this case study.

Engineering↗

Method to account for natural fracture induced elastic anisotropy in geomechanical characterization of shale gas reservoirs

Shale has been usually recognized as a transverse isotropic (TI) medium in conventional geomechanical log interpretation due to its laminated nature. However, when natural fractures exist in the shale rock, additional elastic anisotropy is introduced, converting laminated Shale to an orthorhombic (OB) medium. Previous studies illustrate that neglecting the natural fracture induced anisotropy in shale geomechanical log interpretation could lead to inaccurate evaluations of elastic moduli and in-situ stresses. In this paper, a new method is developed to account for the natural fracture induced anisotropy in geomechanical log interpretation based upon the TI acoustic model developed by the author and a characterization technique of elastic wave anisotropy (Sayers, 1991). The new OB model incorporates the four acoustic log data inputs and five modeling constraints in a nonlinear optimization algorithm to solve for the nine independent stiffness coefficients of an OB rock, and further to solve for the geomechanical properties and in-situ stress profiles in an OB formation. The new method was validated with a Marcellus Gas Shale field case. Both the new OB model and the conventional TI model were applied to interpret the minimum horizontal stress profile for the same formation. By comparing the results, the OB model is more robust than the TI from two aspects. First, the average stress magnitude predicted by the OB model is closer to the one measured by the Diagnostic Fracture Injection Test (DFIT). Second, the OB model predicts a more obvious stress barrier between the lower Marcellus and upper Onondaga Limestone than the TI model does. Finally, the predicted stress barrier is consistent with the observation of the microseismic events of a horizontal well drilled and completed nearby, which reveals that no hydraulic fracture propagates downward through the bottom boundary of Marcellus Shale into the underlying Onondaga Limestone.

03 NATURAL GAS↗

The application of parallel kinetic simulations to laser and electron transport through plasmas (Final technical report)

This is a final report for the grant entitled, “The application of parallel kinetic simulations to laser and electron transport through plasmas”. The objectives of this grant were to significantly advance the fundamental understanding of the nonlinear optics of plasmas and electron transport in high-energy-density laboratory plasmas (HEDLP), including conditions of relevance to Inertial Fusion Energy (IFE). The ultimate goal was to use the understanding to determine how to fully control laser plasma interactions. The primary research tools were our own kinetic particle-in-cell software, OSIRIS, that includes kinetic physics and can run effectively on leadership class computing facilities. Therefore, one objective was to ensure that OSIRIS in continually improved so that it was more accurate and could effectively utilize state-of-the-art computing facilities. Another objective was to attract and train young researchers into the field of high energy density plasma physics. To meet the research objectives, the funds from this proposal were used to conduct research on stimulated Raman scattering (SRS) and enhance our PIC software OSIRIS. It was found that small normalized magnetic fields can in some cases mitigate SRS and that speckles can mutually interact through SRS. It was also found that it is possible for instabilities drive near quarter critical (e.g., the high frequency hybrid instability-HFHI) can generate light waves that propagate back down a density gradient where they can rescatter into the HFHI at 1/16 of the original quarter critical density.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Convectively Forced Diurnal Gravity Waves in the Maritime Continent

Long-lived, zonally propagating diurnal rainfall disturbances are a highly pronounced and common feature in the Maritime Continent (MC). A recent study argues that these disturbances can be explained as diurnally phase-locked gravity waves. Here we explore the origins of these waves through regional cloud-permitting numerical model experiments. The gravity waves are reproduced and isolated in the model framework through the combined use of realistic geography and diurnally cyclic lateral boundary conditions representative of both characteristic easterly and westerly background zonal flow regimes. These flow regimes are characteristic of the Madden–Julian oscillation (MJO) suppressed and active phase in the MC, respectively. Tests are conducted wherein Borneo, Sumatra, or both islands and/or their orography are removed. These tests imply that the diurnal gravity waves are excited and maintained directly by latent heating from the vigorous mesoscale convective systems (MCSs) that form nocturnally in both Borneo and Sumatra. Removing orography has only a secondary impact on both the MCSs and the gravity waves, implying that it is not critical to these waves. We therefore hypothesize that diurnal gravity waves are fundamentally driven by mesoscale organized deep convection, and are only sensitive to orography to the measure that the convection is affected by the orography and its mesoscale flows. Factor separation further reveals that the nonlinear interaction of synchronized diurnal cycles in Sumatra and Borneo slightly amplifies this gravity wave mode compared to if either island existed in isolation. This nonlinear feedback appears most prominently at longitudes directly between the two islands.

Ruppert, Jr., James H.↗

Combustion instability analysis for liquid propellant rocket engines

The multi-dimensional numerical model has been developed to analyze the nonlinear combustion instabilities in liquid-fueled engines. The present pressure-based approach can handle the implicit pressure-velocity coupling in a non-iterative way. The additional scalar conservation equations for the chemical species, the energy, and the turbulent transport quantities can be handled by the same predictor-corrector sequences. This method is time-accurate and it can be applicable to the all-speed, transient, multi-phase, and reacting flows. Special emphasis is given to the acoustic/vaporization interaction which may act as the crucial rate-controlling mechanism in the liquid-fueled rocket engines. The subcritical vaporization is modeled to account for the effects of variable thermophysical properties, non-unitary Lewis number in the gas-film, the Stefan flow effect, and the effect of transient liquid heating. The test cases include the one-dimenisonal fast transient non-reacting and reacting flows, and the multi-dimensional combustion instabilities encountered in the liquid-fueled rocket thrust chamber. The present numerical model successfully demonstrated the capability to simulate the fast transient spray-combusting flows in terms of the limiting-cycle amplitude phenomena, correspondence between combustion and acoustics, and the steep-fronted wave and flame propagation. The investigated parameters include the spray initial conditions, air-fuel mixture ratios, and the engine geometry. Stable and unstable operating conditions are found for the liquid-fueled combustors. Under certain conditions, the limiting cycle behavior of the combusting flowfields is obtained. The numerical results indicate that the spray vaporization processes play an important role in releasing thermal energy and driving the combustion instability.

Kim, Y. M.↗

Mixing by barotropic instability in a nonlinear model

A global, nonlinear, equivalent barotropic model is used to study the isentropic mixing of passive tracers by barotropic instability. Basic states are analytical zonal-mean jets representative of the zonal-mean flow in the upper stratosphere, where the observed 4-day wave is thought to be a result of barotropic, and possibly baroclinic, instability. As is known from previous studies, the phase speed and growth rate of the unstable waves is fairly sensitive to the shape of the zonal-mean jet; and the dominant wave mode at saturation is not necessarily the fastest growing mode; but the unstable modes share many features of the observed 4-day wave. Lagrangian trajectories computed from model winds are used to characterize the mixing by the flow. For profiles with both midlatitude and polar modes, mixing is stronger in midlatitude than inside the vortex; but there is little exchange of air across the vortex boundary. There is a minimum in the Lyapunov exponents of the flow and the particle dispersion at the jet maximum. For profiles with only polar unstable modes, there is weak mixing inside the vortex, no mixing outside the vortex, and no exchange of air across the vortex boundary. These results support the theoretical arguments that, whether wave disturbances are generated by local instability or propagate from other regions, the mixing properties of the total flow are determined by the locations of the wave critical lines and that strong gradients of potential vorticity are very resistant to mixing.

Bowman, Kenneth P.↗

On reduced modelling of the modulational dynamics in magnetohydrodynamics

This paper explores structure formation in two-dimensional magnetohydrodynamic (MHD) turbulence as a modulational instability (MI) of turbulent fluctuations. We focus on the early stages of structure formation and consider simple backgrounds that allow for a tractable model of the MI while retaining the full chain of modulational harmonics. This approach allows us to systematically examine the validity of popular closures such as the quasilinear approximation and other low-order truncations. We find that, although such simple closures can provide quantitatively accurate approximations of the MI growth rates in some regimes, they can fail to capture the modulational dynamics in adjacent regimes even qualitatively, falsely predicting MI when the system is actually stable. We find that this discrepancy is due to the excitation of propagating spectral waves (PSWs) which can ballistically transport energy along the modulational spectrum, unimpeded until dissipative scales, thereby breaking the feedback loops that would otherwise sustain MIs. The PSWs can be self-maintained as global modes with real frequencies and drain energy from the primary structure at a constant rate until the primary structure is depleted. To describe these waves within a reduced model, we propose an approximate spectral closure that captures them and MIs on the same footing. We also find that introducing corrections to ideal MHD, conservative or dissipative, can suppress PSWs and reinstate the accuracy of the quasilinear approximation. In this sense, ideal MHD is a ‘singular’ system that is particularly sensitive to the accuracy of the closure within mean-field models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Proton acceleration in an overdense hydrogen plasma by intense CO 2 laser pulses with nonlinear propagation effects in the underdense pre-plasma

We report on proton acceleration from intense CO 2 laser-irradiated hydrogen plasmas at near-critical densities, with the density gradient steepened by Nd:YAG laser ablation-driven hydrodynamic shocks. While the experimental results, such as the quasi-monoenergetic proton spectra and their scaling with respect to the laser energy, are generally in agreement with the simulations, certain laser shots produced significantly higher proton energies than anticipated during the experiment. The increased proton energy may be linked to nonlinear propagation effects in the steepened plasma density ramp before the critical surface, including relativistic self-focusing and, for the case of temporally-structured laser pulses observed in the experiment, focusing of the trailing pulse through the plasma channel formed by the leading pulse 25 ps ahead. The occurrence of channel focusing in the underdense hydrogen plasma is supported by a subsequent pump-probe experiment with a dark-field imaging technique, where the formation of ion channels was observed after the passage of an intense CO 2 laser pulse

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Simulating the filamentation of smoothed laser beams with three-dimensional nonlinear dynamics

In a plasma, the ponderomotive force of an inhomogeneous electromagnetic field expels plasma from regions of high intensity. When a laser propagates through a plasma, this force creates density wells that subsequently modify the index of refraction. The beam refracts and focuses into these wells and may filament. In extreme cases, the laser beam will spray due to increasing angular divergence of the beam. The threshold for ponderomotive self-focusing is well established for isolated laser hotspots or speckles. Here, we define a practical threshold for characterizing the filamentation of thousands of speckles that are found in the focal plane of high-power laser beams spatially smoothed with random phase plates as used at high energy and power laser facilities studying inertial confinement fusion. This threshold is tested against three-dimensional simulations of speckled laser light propagating through plasma. Four metrics are applied to assess filamentation: the fraction of power above five times the average intensity, an effective f-number, the mean-squared perpendicular wavenumber, and the fraction of rarefied density with deviation from the initial density exceeding | δn/ n| = 0.1. The speckled beams studied are generated by random phase plates, both with and without additional polarization smoothing, in a parameter regime of relevance to indirect drive experiments. While filamentation has been discussed extensively in the literature, we believe this to be the first published simulation study with three-dimensional nonlinear hydrodynamics that addresses the onset threshold of ponderomotive filamentation and establishes the lengths and time scales necessary to reach a statistical steady state.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Resolving ECRH deposition broadening due to edge turbulence in DIII-D

Microwave heat pulse propagation experiments have demonstrated a correlation between millimeter-scale turbulence and deposition profile broadening of electron cyclotron (EC) waves on the DIII-D tokamak. In a set of discharges in DIII-D, a variation in edge density fluctuations on the mm-scale is associated with 40%–150% broader deposition profiles, expressed in terms of normalized minor radius, as compared with equilibrium ray tracing. The 1D power profile is determined from transport analysis of the electron temperature response to EC power modulation using perturbative analysis with a square wave power modulation at 20–70 Hz, producing a series of Fourier harmonics that are fit collectively to resolve transport. Fitting an integrated heat flux expressed in the Fourier basis of the modulation to diffusive, convective, and coupled transport terms in a linear model can resolve the broadened EC deposition width from the power perturbation to resolve a broadening in each case. The best fit degree of beam broadening observed scales approximately linearly with the Doppler backscattering measured fluctuation level in the steep gradient region. Quantifying the effect of edge fluctuation broadening on EC current drive power needs of future devices will require 3D full-wave codes that can be validated on the current generation of machines. These DIII-D experiments provide a quantitative measure of fluctuation effects and a dataset to benchmark full-wave simulations that can model and eventually predict nonlinear effects neglected by 1D equilibrium beam and ray tracing.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Nonreciprocal Frequency Domain Beam Splitter

The canonical beam splitter—a fundamental building block of quantum optical systems—is a reciprocal element. It operates on forward- and backward-propagating modes in the same way, regardless of direction. The concept of nonreciprocal quantum photonic operations, by contrast, could be used to transform quantum states in a momentum- and direction-selective fashion. In this study, we demonstrate the basis for such a nonreciprocal transformation in the frequency domain through intermodal Bragg scattering four-wave mixing (BSFWM). Since the total number of idler and signal photons is conserved, the process can preserve coherence of quantum optical states, functioning as a nonreciprocal frequency beam splitter. We explore the origin of this nonreciprocity and find that the phase-matching requirements of intermodal BSFWM produce an enormous asymmetry ( 76 × ) in the conversion bandwidths for forward and backward configurations, yielding ~ 25 dB of nonreciprocal contrast over several hundred GHz. We also outline how the demonstrated efficiencies ( ~ 10 – 4 ) may be scaled to near-unity values with readily accessible powers and pumping configurations for applications in integrated quantum photonics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A mixed-integer PDE-constrained optimization formulation for constructing electromagnetic cloaks with multiple materials

We study the design of an electromagnetic cloak from multiple materials with an additional constraint on the mass of the cloak. Our problem is an example of a topology optimization problem, and we formulate this problem as a mixed-integer partial-differential equation constrained optimization (MIPDECO) problem, where Maxwell’s equation models the propagation of the wave through the cloak and surrounding medium. We use binary variables to model the assignment of the different materials, and their relevant properties (permittivity and density). The mass constraint adds a nontrivial constraint to this problem. We propose a two-phase strategy to solve this problem. In the first phase, we solve a continuous relaxation, and then propose a new variant of the feasibility pump that exploits the structure of the PDE to obtain an initial integral solution candidate. In the second phase, we use a trust-region approach to improve this incumbent. We also consider a continuation or mesh-sequencing approach to find better solutions faster on consecutively finer meshes. We present detailed numerical results to illustrate the effectiveness of our approaches for constructing multi-material cloaks with a mass constraint.

Calculus of Variations and Optimization↗

Conservation law for electromagnetic fields in a space-time-varying medium and its implications

We discuss the propagation of electromagnetic waves in a space-time modulated medium, for which neither energy nor momentum remains conserved. We have found a new conservation law when modulation moves at a constant speed v in a traveling-wave fashion. We use this law to study how light is scattered inside such a medium. We consider both the subluminal (v < c) andsuperluminal (v > c) cases and find that they differ considerably in terms of what remains conserved. We show that the total number of photons is conserved in the subluminal case. In contrast, it is the difference between the forward and backward moving photons that remains conserved in the superluminal case. We also study the reciprocity issue for a space-time modulated medium and found that reciprocity holds in all situations. Here, we develop a quantum formulation of our scattering problem and show that the subluminal case is similar to the action of a beam splitter. In the superluminal case, photon pairs can be generated from vacuum in a fashion analogous to the two-mode frequency down-conversion process.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Cross-field electron diffusion due to the coupling of drift-driven microinstabilities

In this paper, the nonlinear interaction between kinetic instabilities driven by multiple ion beams and magnetized electrons is investigated. Electron diffusion across magnetic field lines is enhanced by the coupling of plasma instabilities. Here, a two-dimensional collisionless particle-in-cell simulation is performed accounting for singly and doubly charged ions in a cross-field configuration. Consistent with prior linear kinetic theory analysis and observations from coherent Thomson scattering experiments, the present simulations identify an ion-ion two-stream instability due to multiply charged ions (flowing in the direction parallel to the applied electric field) which coexists with the electron cyclotron drift instability (propagating perpendicular to the applied electric field and parallel to the ExB drift). Small-scale fluctuations due to the coupling of these naturally driven kinetic modes are found to be a mechanism that can enhance cross-field electron transport and contribute to the broadening of the ion velocity distribution functions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electric and magnetic black holes in a new nonlinear electrodynamics model

Highlights: • We introduce a new NED model which is comparable with the BI model in the weak-field limit. • We find an electric black hole solution in the context of Einstein’s gravity minimally coupled with the new NED model. • We study the thermal stability of the electric black hole solution. • Modified Smarr’s formula consistent with the first law of black hole thermodynamics is obtained. A new nonlinear electrodynamics (NED) model is introduced in the form of a nonpolynomial Lagrangian which admits static spherical and also plane wave solutions in a flat space. Upon coupling with gravity the electric field is finite and comparable with the Born–Infeld counterpart. The electric and magnetic black hole solutions in the Einstein’s gravity coupled with this NED model are presented. The solutions give both asymptotically and in the weak field limit Reissner–Nordström (RN) black hole and unlike the other known models our electric solution is expressed in terms of elementary functions in a closed form. We study the first law and derive the modified Smarr’s formula for the electric type extension of our model. Considerable rich structure, especially thermodynamic ones, ranging from first to the second order phase transitions are added to the RN black hole of linear electrodynamics with this NED model. Having the exact solution for the metric function at our disposal we investigate the stability of the electric black hole from both the thermodynamical and causal points of view.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Zero modes of massive fermions delocalize from axion strings

Massless chiral excitations can arise from the interactions between a fermion and an axion string, propagating along the string and allowing it to superconduct. The properties of these excitations, or zero modes, dictate how the string interacts with light and can thus have important phenomenological consequences. In this paper, we add a nowhere-vanishing Dirac mass for the fermion in the usual model of axion electrodynamics. We find that the zero modes exhibit an interesting phase structure in which they delocalize from the string’s core as the mass increases, up until a critical value past which they disappear. We study this structure from an analytic perspective, with explicit numerical solutions, and via anomaly inflow arguments. Finally, we derive the two-dimensional effective theory of the zero mode and its interactions with the four-dimensional gauge field and show how this effective theory breaks down as the zero modes delocalize.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Computation of Gust-Cascade Interaction Using the CE/SE Method

The problem 2 in Category 3 of the 4th Computational Aeroacoustic(CAA) Workshop is solved using the space-time conservation element and solution element (CE/SE) method. This problem models rotor-stator interaction in a 2D cascade. It involves complex geometries and flow physics including vortex shedding and acoustic radiation. The parallel version of the 2D nonlinear Euler solver is used with an unstructured triangular mesh to solve this problem. The Giles approach is incorporated with the CE/SE method to handle non-equal pitches of the rotor and stator. Validation on the Giles approach is performed using Problem 3.1 in the 2nd CAA Workshop. The space-time CE/SE method is a finite volume method with second-order accuracy in both space and time. The flux conservation is enforced in both space and time instead of space only. It has low numerical dissipation and dispersion errors. It uses simple non-reflecting boundary conditions and is compatible with unstructured meshes. It is simple, flexible, and generate reasonably accurate solutions. The CE/SE method has been successfully applied to solve numerous practical problems, especially aeroacoustic problems. Some preliminary numerical results of the benchmark problem 3.2 of the 4th CAA Workshop are shown. The steady-state pressure contour is plotted. The mean pressure distribution on the blade surface is compared with Turbo solution showing a good agreement. The sound pressure level versus the rotor harmonic n at the six designated positions on the blade surface, three locations at inlet plane, and three locations at the outlet plane are plotted. It can be seen that the acoustic response exists only at the excitation frequencies (n = 1,2,3). On the blade surface, the acoustic wave at n = 1 is dominant, while at the inlet and outlet planes, the sound pressure level at n = 2 becomes the largest, which is similar to the results presented. The distribution of sound pressure level at different spatial modes along the z- direction is plotted for n = 1,2,3, respectively. It shows that the spatial modes m = -32 and 22 at n = 1 exponentially decay, and the spatial modes m = 10 at n = 2, m = -42 and 12 at n = 3 propagate both upstream and downstream, which agrees with the prediction based on the linearized theory. Some oscillations are observed, which needs to be investigated further. In the final paper, the numerical results will be compared with a frequency-domain solver LINFLUX solution if it is available.

Wang, X.-Y.↗