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At least 199 records · Page 11

Machine learning based rate optimization under geologic uncertainty

We propose a novel approach for rate optimization during a waterflood under geologic uncertainty in reservoir properties such as permeability and porosity. The traditional approach typically involves several runs of the forward simulator. This may not scale well when the optimization is to be performed at the full field-level and over multiple geologic realizations. A machine-learning (ML) based approach which is quick and scalable for rate optimization over multiple geologic realizations is proposed instead. The training data for the model is generated by running the forward simulator with randomly assigned well rates using multiple geologic realizations. A reduced order representation of the permeability heterogeneity in each of the realizations is derived using a grid connectivity transformation (GCT). This step involves finding basis functions corresponding to the different modal frequencies of the grid connectivity represented by the grid Laplacian. The projection of the heterogeneous property field along these basis functions gives the basis coefficients that form the reduced order representation. Subsequently, for each training datapoint, streamlines are traced and the minimum time of flight (TOF) representing the tracer breakthrough time at each producer is recorded. The basis coefficients and well rates are fed to a machine learning model as input and the minimum TOF at the producers forms the output of the model. This trained model can then be used along with an optimizer for computing the optimal injection rates to maximize the injection sweep efficiency. This corresponds to minimizing the variance in the minimum TOF within each well group. Different architectures of neural network are tested using 5-fold cross validation to decide the best ML model to compute the streamline time of flight. The trained model is used to perform well rate optimization over multiple realizations of geology by using a risk tolerance penalty. The optimal well rates thus obtained are compared with two cases: a) equal well rates assigned to all injectors and producers and b) well rates obtained by optimizing over a single realization without considering the uncertainty in geology. The optimal well rates are seen to offer better oil recovery and sweep efficiency than both cases.

02 PETROLEUM↗

Scattering of radiofrequency waves by randomly modulated density interfaces in the edge of fusion plasmas

In the scrape-off layer and the edge region of a tokamak, the plasma is strongly turbulent and scatters the radiofrequency (RF) electromagnetic waves that propagate through this region. It is important to know the spectral properties of these scattered RF waves, whether used for diagnostics or for heating and current drive. The spectral changes influence the interpretation of the obtained diagnostic data, and the current and heating profiles. A full-wave, three-dimensional (3-D) electromagnetic code ScaRF has been developed for studying the RF wave propagation through turbulent plasma. ScaRF is a finite-difference frequency-domain (FDFD) method used for solving Maxwell's equations. The magnetized plasma is defined through the cold plasma by the anisotropic permittivity tensor. As a result, ScaRF can be used to study the scattering of any cold plasma RF wave. It can also be used for the study of the scattering of electron cyclotron waves in ITER-type and medium-sized tokamaks such as TCV, ASDEX-U and DIII-D. For the case of medium-sized tokamaks, there is experimental evidence that drift waves and rippling modes are present in the edge region. Hence, we have studied the scattering of RF waves by periodic density interfaces (plasma gratings) in the form of a superposition of spatial modes with varying periodicity and random amplitudes. The power reflection coefficient (a random variable) is calculated for different realizations of the density interface. In this work, the uncertainty of the power reflection coefficient is rigorously quantified by use of the Polynomial Chaos Expansion method in conjunction with the Smolyak sparse-grid integration, which is known as the PCE-SG method. The PCE-SG method is proven to be accurate and more efficient compared with alternative methods such as the Monte Carlo (MC) approach.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The effect of magnetic susceptibility and magnetic field strength on porosity estimates determined from low-field nuclear magnetic resonance

The presence of materials with high magnetic susceptibility are known to have an impact on 1H nuclear magnetic resonance (NMR) measurements and in laboratory data this often results in poor estimates of porosity from NMR data. To quantify and understand the cause of the poor NMR porosity estimations, in this laboratory study, we examine the effect of magnetic susceptibility, NMR measurement parameters, and NMR instrument design on NMR measurements. Data were collected with two instruments, each with a different Larmor frequency (2 MHz and 485 kHz), on water-saturated unconsolidated sediments with magnetic susceptibility values ranging from 3.6 × 10 -6 to 7020 × 10 -6 SI. The results show that for materials with low magnetic susceptibility (<378 × 10 -6 SI), the gravimetric porosity is accurately predicted from the NMR measurements. For the samples with high magnetic susceptibility (>987 × 10 -6 SI) the gravimetric porosity is poorly predicted from the 2 MHz NMR measurements made at all echo times (from 0.2 to 3.0 ms). In contrast, the gravimetric porosity is more accurately predicted at an echo time of 0.2 ms for measurements made using the 485 kHz instrument, although at larger echo times (>1.0 ms), the porosity estimate becomes poor. The 485 kHz NMR instrument has non-zero internal magnetic field gradients, similar to those found in borehole instruments, in contrast to the 2 MHz NMR instrument, which has a homogeneous applied magnetic field. Finally, we conclude that differences is the magnetic field strength and higher magnetic field inhomogeneities in the 485 kHz NMR instrument contribute to a reduction of the impact of inhomogeneities in the magnetic field caused by materials with high magnetic susceptibility, allowing for improved porosity estimation. These results indicate that NMR measurements collected at short echo times in low, inhomogeneous static fields, e.g., borehole instruments, may provide accurate estimates of porosity in water saturated sediments, even in the presence of magnetic minerals.

58 GEOSCIENCES↗

Electrochemical hydrogen isotope exchange of amines controlled by alternating current frequency

Here, we report an electrochemical protocol for hydrogen isotope exchange (HIE) at α-C(sp 3 )–H amine sites. Tetrahydroisoquinoline and pyrrolidine are selected as two model substrates because of their different proton transfer (PT) and hydrogen atom transfer (HAT) kinetics at the α-C(sp 3 )–H amine sites, which are utilized to control the HIE reaction outcome at different applied alternating current (AC) frequencies. We found the highest deuterium incorporation for tetrahydroisoquinolines at 0 Hz (i.e., under direct current (DC) electrolysis conditions) and pyrrolidines at 0.5 Hz. Analysis of the product distribution and D isotope incorporation at different frequencies reveals that the HIE of tetrahydroisoquinolines is limited by its slow HAT, whereas the HIE of pyrrolidines is limited by the overoxidation of its α-amino radical intermediates. Here, the AC-frequency-dependent HIE of amines can be potentially used to achieve selective labeling of α-amine sites in one drug molecule, which will significantly impact the pharmaceutical industry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exploring wave propagation in heterogeneous metastructures using the relaxed micromorphic model

Metamaterials are artificial structures that can manipulate and control sound waves in ways not possible with conventional materials. While much effort has been undertaken to widen the bandgaps produced by these materials through design of heterogeneities within unit cells, comparatively little work has considered the effect of engineering heterogeneities at the structural scale by combining different types of unit cells. In this paper, we use the relaxed micromorphic model to study wave propagation in heterogeneous metastructures composed of different unit cells. We first establish the efficacy of the relaxed micromorphic model for capturing the salient characteristics of dispersive wave propagation through comparisons with direct numerical simulations for two classes of metamaterial unit cells: namely phononic crystals and locally resonant metamaterials. We then use this model to demonstrate how spatially arranging multiple unit cells into metastructures can lead to tailored and unique properties such as spatially-dependent broadband wave attenuation, rainbow trapping, and pulse shaping. In the case of the broadband wave attenuation application, we show that by building layered metastructures from different metamaterial unit cells, we can slow down or stop wave packets in an enlarged frequency range, while letting other frequencies through. In the case of the rainbow-trapping application, we show that spatial arrangements of different unit cells can be designed to progressively slow down and eventually stop waves with different frequencies at different spatial locations. Finally, in the case of the pulse-shaping application, our results show that heterogeneous metastructures can be designed to tailor the spatial profile of a propagating wave packet. Collectively, these results show the versatility of the relaxed micromorphic model for effectively and accurately simulating wave propagation in heterogeneous metastructures, and how this model can be used to design heterogeneous metastructures with tailored wave propagation functionalities.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Cyclic loading–unloading impacts on geomechanical stability of multiple salt caverns for underground hydrogen storage

Underground caverns in a salt dome are promising geologic features to store hydrogen because of salt’s extremely low permeability and self-healing behavior. The salt cavern storage community, however, has not fully understood the geomechanical behaviors of salt rock driven by quick operation cycles of injection–production, which may significantly impact the cost-effective storage-recovery performance of multiple caverns. Our field-scale generic model captures the impact of cyclic loading–unloading on the salt creep behavior and deformation under different cycle frequencies, operating pressure, and spatial order of operating cavern(s). This systematic simulation study indicates that the initial operation cycle and arrangement of multiple caverns play a significant role in the creep-driven loss of cavern volumes and cavern deformation. Finally, our future study will develop a new salt constitutive model based on geomechanical tests of site-specific salt rock to probe the cyclic behaviors of salt precisely both beneath and above the dilatancy boundary, including reverse (inverse transient) creep, the Bauschinger effect, and damage-healing mechanism.

08 HYDROGEN↗

Detecting Thermally Induced Spinodal Decomposition with Picosecond Ultrasonics in Cast Austenitic Stainless Steels

Given the existential climate crisis faced by mankind and the world, the lifetime and sustainability of nuclear reactors as a carbon-free source of renewable energy depend on the susceptibility of their structural components to environmental degradation. In particular, critical components for light water reactors (LWRs) evolve over decades in service, losing ductility and toughness due to thermal and irradiation aging. Techniques to monitor their health cannot be easily applied in the field due to their destructive, expensive, or immobile nature. Thus, non-destructive evaluation (NDE) methods are sought to monitor and evaluate the health of major LWR components such as core barrels, steam generator tubes, or primary coolant pipes and are often required by policy, such as NRC policy #10-CFR-50.65. In this work we demonstrate the use of gigahertz, non-contact ultrasonics to gauge the state of cast austenitic stainless steels (CASS), used in some of the largest components in LWR primary systems. We do so by linking changes in their surface acoustic wave (SAW) characteristics using transient grating spectroscopy (TGS) to transmission electron microscopy (TEM)-verified evidence of spinodal decomposition and G-phase precipitation. In this thesis, thermal aging is shown to induce SAW peak splitting in spinodally decomposed CASS alloys, correlated strongly with lowered toughness and decreased ductility. Furthermore, statistical testing on the number of SAW peak splits observed show that the second SAW peak significantly appears more frequently and is significantly different in frequency in comparison to counts and frequencies measured in unaged specimens. The ability of this technique to non-destructively detect microstructural degradation at a distance in a predictive manner in the case of CASS motivates extending gigahertz ultrasonics to detect other LWR material degradation modes as an in-vessel inspection technique, such as reactor pressure vessel (RPV) embrittlement. This allows for the greater use of NDE techniques for confident monitoring of LWR structural material health to 80 years and beyond, saving costs by minimizing structural replacements until needed and maximizing energy production by preventing early decommission until necessary.

36 MATERIALS SCIENCE↗

Connectivity between Static Field and Continuous Wave Field Effects on Excitation-Induced H 2 Activation

Due to the tremendous applications of the plasmon resonance excitation process, such as improvements in catalytic efficiency due to plasmonic enhancement and/or hot-electron processes, understanding the mechanism behind these processes has become a popular topic in recent years. In this work, we focus on unraveling the mechanism of excitation-induced H 2 activation using a simplified triangular Au 6 /Ag 6 cluster to investigate the effects of the electric field on electron redistribution and bond activation. We applied both static and continuous wave fields to investigate how these fields affect the systems. Geometrical changes (such as bond lengthening), molecular orbital reordering (affecting the relative energies of orbitals corresponding to hot-electron and charge-transfer excited states), and electronic charge redistribution between the cluster and the adsorbate occur upon application of a static electric field. To study H 2 activation, we apply Ehrenfest dynamics with real-time time-dependent density functional theory and examine how different excitation frequencies and polarizations affect bond activation. Moreover, electron-only dynamics are examined with real-time time-dependent density functional theory, and the time-dependent variations in the orbital populations and electronic transitions provide information about the excitation and relaxation processes of hot electrons with applied electric fields. Here, the static field results represent structures that can be accessed during the evolution of the systems when applying continuous wave fields. Through these studies, the effects of static and continuous wave field effects on plasmon-induced H 2 activation can be understood.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Wavelength conversion through plasmon-coupled surface states

Surface states generally degrade semiconductor device performance by raising the charge injection barrier height, introducing localized trap states, inducing surface leakage current, and altering the electric potential. We show that the giant built-in electric field created by the surface states can be harnessed to enable passive wavelength conversion without utilizing any nonlinear optical phenomena. Photo-excited surface plasmons are coupled to the surface states to generate an electron gas, which is routed to a nanoantenna array through the giant electric field created by the surface states. The induced current on the nanoantennas, which contains mixing product of different optical frequency components, generates radiation at the beat frequencies of the incident photons. We utilize the functionalities of plasmon-coupled surface states to demonstrate passive wavelength conversion of nanojoule optical pulses at a 1550 nm center wavelength to terahertz regime with efficiencies that exceed nonlinear optical methods by 4-orders of magnitude.

42 ENGINEERING↗

Optical analogues to the equatorial Kerr–Newman black hole

Optical analogues to black holes allow the investigation of general relativity in a laboratory setting. Previous works have considered analogues to Schwarzschild black holes in an isotropic coordinate system; the major drawback is that required material properties diverge at the horizon. We present the dielectric permittivity and permeability tensors that exactly reproduce the equatorial Kerr–Newman metric, as well as the gradient-index material that reproduces equatorial Kerr–Newman null geodesics. Importantly, the radial profile of the scalar refractive index is finite along all trajectories except at the point of rotation reversal for counter-rotating geodesics. Construction of these analogues is feasible with available ordinary materials. A finite-difference frequency-domain solver of Maxwell’s equations is used to simulate light trajectories around a variety of Kerr–Newman black holes. For reasonably sized experimental systems, ray tracing confirms that null geodesics can be well-approximated in the lab, even when allowing for imperfect construction and experimental error.

79 ASTRONOMY AND ASTROPHYSICS↗

Initial electron cyclotron heating/current drive scoping study for the SMall Aspect Ratio Tokamak (SMART)

In this work an initial electron cyclotron heating/current drive (EC H&CD) scoping study is presented for the SMall Aspect Ratio Tokamak (SMART), constructed and operated by the Plasma Science and Fusion Technology (PSFT) Laboratory of the University of Seville. We consider two planned phases of operation with different magnitude of magnetic field (B 0.4, and 1 T). This EC H&CD scoping study is carried out by using the ray tracing code TRAVIS, which allows to quickly perform a series of scans on the main SMART plasma scenarios. A scan in the poloidal and toroidal launching angles is performed for the B 0.4 T plasma scenario assuming three launching locations (mid-plane, off-mid-plane, and top-launcher) and the extraordinary (X-) mode polarization. The absorption occurs at the second harmonic and, overall, the highest power absorption is obtained launching the EC beam from the top of the machine. A numerical analysis of the fundamental X-mode EC H&CD start-up regime for the B 1.0 T plasma scenario with two different wave frequencies (28 and 35 GHz) is presented showing a very high current drive efficiency.

Bertelli, Nicola [Princeton Plasma Physics Laborat↗

Two-temperature effects in Hall-MHD simulations of the HIT-SI experiment

A two-temperature Hall-magnetohydrodynamic (Hall-MHD) model, which evolves the electron and ion temperatures separately, is implemented in the PSI-Tet 3D MHD code and used to model plasma dynamics in the Helicity Injected Torus–Steady Inductive (HIT-SI) experiment. The two-temperature model is utilized for HIT-SI simulations in both the PSI-Tet and NIMROD codes at a number of different injector frequencies in the 14.5–68.5 kHz range. At all frequencies, the NIMROD two-temperature model results in increased toroidal current, lower chord-averaged density, higher average temperatures, outward radial shift of the current centroid, and axial symmetrization of the current centroid, relative to the single-temperature NIMROD simulations. The two-temperature PSI-Tet model illustrates similar trends, but at high frequency operation, it exhibits lower electron temperature, smaller toroidal current, and decreased axial symmetrization with respect to the single-temperature PSI-Tet model. With all models, average temperatures and toroidal currents increase with the injector frequency. Power balance and heat fluxes to the wall are calculated for the two-temperature PSI-Tet model and illustrate considerable viscous and compressive heating, particularly at high injector frequency. Parameter scans are also presented for artificial diffusivity, wall temperature, and density. Both artificial diffusivity and the density boundary condition significantly modify the plasma density profiles, leading to larger average temperatures, toroidal current, and relative density fluctuations at low densities. As a result, a low density simulation achieves sufficiently high current gain (G > 5) to generate significant volumes of closed flux lasting 1–2 injector periods.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Emittance preservation for the electron arm in a single PWFA-LC stage using quasi-adiabatic plasma density ramp matching sections

Plasma-based acceleration (PBA) is being considered for a next generation linear collider (LC). In some PBA-LC designs for the electron arm, the extreme beam parameters are expected to trigger background ion motion within the witness beam, which can lead to longitudinally varying nonlinear focusing forces and result in an unacceptable emittance growth of the beam. To mitigate this, we propose to use quasi-adiabatic plasma density ramps as matching sections at the entrance and exit of each stage. We match the witness electron beam to the low density plasma entrance, where the beam initially has a large matched spot size so the ion motion effects are relatively small. As the beam propagates in the plasma density upramp, it is quasi-adiabatically focused, and its distribution maintains a non-Gaussian equilibrium distribution in each longitudinal slice throughout the process, even when severe ion collapse has occurred. This only causes small amounts of slice emittance growth. The phase mixing between slices with different betatron frequencies leads to additional projected emittance growth within the acceleration stage. A density downramp at the exit of an acceleration section can eliminate much of the slice and projected emittance growth as the beam and ion motion adiabatically defocuses and decreases, respectively. Simulation results from QuickPIC with Azimuthal Decomposition show that within a single acceleration stage with a 25 GeV energy gain, this concept can limit the projected emittance growth to only ∼2% for a 25 GeV, 100 nm emittance witness beam and ∼20% for a 100 GeV, 100 nm normalized emittance witness beam. The trade-off between the adiabaticity of the plasma density ramp and the initial ion motion at the entrance for a given length of the plasma density ramp is also discussed.

Physics↗

Selective incorporation of antimony into gallium nitride

Dilute concentrations of antimony (Sb) incorporation into GaN induce strong bandgap bowing and tunable room-temperature photoluminescence from the UV to the green spectral regions. However, the atomistic details of the incorporation of Sb into the GaN host remain unclear. In this work, we use first-principles calculations to understand the thermodynamics of Sb substitution into GaN and its effect on the optical and Raman spectra. Although it is empirically considered that Sb is preferentially incorporated as an anion (Sb3−) into the N sublattice, we demonstrate that Sb can also be incorporated as a cation (Sb3+, Sb5+) into the metal sublattice. Our thermodynamic analysis demonstrates that SbN0, SbGa2+, and SbGa0 can co-exist under Ga-rich conditions in n-type samples. We further confirm the dual incorporation of Sb by calculating the vibrational frequencies of different anionic and cationic substitutions to explain the origins of experimentally observed additional Raman peaks of Sb-doped GaN. Moreover, the calculated band structures of different Sb substitutions into GaN explain the experimental photoluminescence and optical absorption spectra. Overall, our analysis suggests that the coexistence of Sb3−, Sb3+, and Sb5+ substitutions into GaN explains the totality of experimental measurements. Our results demonstrate that the selective incorporation of Sb into GaN (and potentially other group-V elements such as As, P, or Bi) by tuning the growth conditions can drastically modify the electronic properties, for applications in visible light emitters and photocatalysis.

Physics↗

Linear gyrokinetic simulations of reversed shear Alfvén eigenmodes and ion temperature gradient modes in DIII-D tokamak

Abstract Global linear gyrokinetic simulations using realistic DIII-D tokamak geometry and plasma profiles find co-existence of unstable reversed shear Alfvén eigenmodes (RSAE) with low toroidal mode number n and electromagnetic ion temperature gradient (ITG) instabilities with higher toroidal mode number n . For intermediate n = [10, 12], RSAE and ITG co-exist and overlap weakly in the radial domain with similar growth rates but different real frequencies. Both RSAE and ITG growth rates decrease less than 5% when compressible magnetic perturbations are neglected in the simulations. The ITG growth rates increase less than 7% when fast ions are not included in the simulations. Finally, the effects of trapped electrons on the RSAE are negligible.

Physics↗

Inverse Design of Plasma Metamaterial Devices for Optical Computing

We apply inverse-design methods to produce two-dimensional plasma metamaterial (PMM) devices. Backpropagated finite-difference frequency-domain (FDFD) simulations are used to design waveguides and demultiplexers operating under both TE and TM modes. Demultiplexing and waveguiding are demonstrated for devices composed of plasma elements with reasonable plasma densities of approximately 7 GHz, allowing for future in situ training and experimental realization of these designs. We also explore the possible applicability of PMMs to nonlinear boolean operations for use in optical computing. Functionally complete logical connectives (or and and) are achieved in the TM mode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Quasinormal modes of naked singularities in presence of nonlinear scalar fields

We study linear perturbations against static spherically symmetric background configurations of general relativity with a real scalar field (SF), which is minimally coupled with gravity; it is nonlinear due to the presence of the self-action potential. The background solutions have a naked singularity at the center of the configuration. The focus is on the stability of the background and fundamental frequencies of the quasinormal modes (QNM) of the axial perturbations in the Regge-Wheeler gauge. The problem is reduced to one hyperbolic master equation with an effective potential 𝑊eff, which turns out to be positive for a general non-negative SF potential; this ensures the linear stability with respect to this kind of perturbations. For numerical simulations, the SF potential was chosen in the power-law form 𝑉⁡(𝜙) ∼ 𝜙 2⁢𝑛 with 2 < 𝑛 ≤40. We extracted the fundamental frequencies of QNM for different 𝑛 and various sets of the background configuration parameters. The results show that even for a small background SF, there is a significant difference between the fundamental frequencies and ones in case of the Schwarzschild background. Furthermore, the results are also compared with the case of the Fisher-Janis-Newman-Winicour background dealing with a massless linear scalar field.

General relativity↗

A 50-kW Bidirectional Step-up / Step-down DC/DC Oak Ridge Converter for Wireless Charger Applications

This study presents a novel bidirectional concept by using Oak Ridge Converter (ORC) for wireless energy conversion (WEC) technologies such as wireless electric vehicle (EV) chargers, wireless mobile or energy storage systems (MESS / ESS), etc. The presented system can be deployed in a bidirectional wireless power transfer (WPT) structure for different input voltages by using two different operating frequencies. The proposed concept here achieves zero voltage switching (ZVS) in during step-up and step-down configurations. The system overall theoretical design and experimental test results are presented for 50 kW power transfer in both bidirectional operations modes. The laboratory demonstration of the system is presented for the three-phase bidirectional system with 6 inches of airgap between the coils and output of 560 VDC with 95.4% dc-to-dc efficiency.

Asa, Erdem↗