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At least 217 records · Page 12

An arbitrary-order Runge–Kutta discontinuous Galerkin approach to reinitialization for banded conservative level sets

Here, we present a Runge-Kutta discontinuous Galerkin method for solving conservative reinitialization in the context of the conservative level set method. This represents an extension of the method recently proposed by Owkes and Desjardins [21], by solving the level set equations on the refined level set grid and projecting all spatially-dependent variables into the full basis used by the discontinuous Galerkin discretization. By doing so, we achieve the full k+1 order convergence rate in the L1 norm of the level set field predicted for RKDG methods given kth degree basis functions when the level set profile thickness is held constant with grid refinement. Shape and volume errors for the 0.5-contour of the level set, on the other hand, are found to converge between first and second order. We show a variety of test results, including the method of manufactured solutions, reinitialization of a circle and sphere, Zalesak's disk, and deforming columns and spheres, all showing substantial improvements over the high-order finite difference traditional level set method studied for example by Herrmann. We also demonstrate the need for kth order accurate normal vectors, as lower order normals are found to degrade the convergence rate of the method.

97 MATHEMATICS AND COMPUTING↗

Efficient Multigrid Reduction-in-Time for Method-of-Lines Discretizations of Linear Advection

Parallel-in-time methods for partial differential equations (PDEs) have been the subject of intense development over recent decades, particularly for diffusion-dominated problems. It has been widely reported in the literature, however, that many of these methods perform quite poorly for advection-dominated problems. In this report we analyze the particular iterative parallel-in-time algorithm of multigrid reduction-in-time (MGRIT) for discretizations of constant-wave-speed linear advection problems. We focus on common method-of-lines discretizations that employ upwind finite differences in space and Runge-Kutta methods in time. Using a convergence framework we developed in previous work, we prove for a subclass of these discretizations that, if using the standard approach of rediscretizing the fine-grid problem on the coarse grid, robust MGRIT convergence with respect to CFL number and coarsening factor is not possible. This poor convergence and non-robustness is caused, at least in part, by an inadequate coarse-grid correction for smooth Fourier modes in space-time known as characteristic components. We propose an alternative coarse-grid operator that provides a better correction of these modes. This coarse-grid operator is related to previous work and uses a semi-Lagrangian discretization combined with an implicitly treated truncation error correction. Theory and numerical experiments show the proposed coarse-grid operator yields fast MGRIT convergence for many of the method-of-lines discretizations considered, including for both implicit and explicit discretizations of high order. Parallel results demonstrate speed-up over sequential time-stepping.

97 MATHEMATICS AND COMPUTING↗

Direct E&M Field Solver for a Plane Wave without Sources

A three dimensional direct field solver for the electric and magnetic fields using the Finite Difference Time Domain (FDTD) method is described. Example simulations using periodic and absorbing boundary conditions in a vacuum medium for a plane wave propagating in three dimensions are explored and are compared to theory.

97 MATHEMATICS AND COMPUTING↗

Numerical and Analytical Modeling of the Effect of Cracks on the Self-Inductance of a COTS YJ-41003-TC Toroid

COTS inductors and transformers often contain partial cracks whose effect on inductance, a key performance parameter, have not been carefully studied. In this report, the effects of both partial and complete cracks on the self-inductance of a 100 turn square cross section COTS YJ-41003-TC toroid comprised of J Material was comprehensively investigated using both analytically derived closed form expressions and 3D computational techniques employing commercial codes. Both partial (half-penny) and complete (air gap) cracks of 10 and 25 μm were investigated. The crack is defined as the physical distance between two faces of the toroid's magnetic core, such that the surface normal of either face is along the Φ-direction, in alignment with the B-field. For the purposes of validation, two different approaches were incorporated for both the analytical and numerical models. The two analytical methods are comprised of a first principles approach based on the physics of electromagnetics, as well as linear circuit theory. The former directly utilizes the integral form of Maxwell's equations while the latter exploits the interchangeable relationship between electric and magnetic circuits. Validation within the computational scheme is realized through a code-to-code comparison between commercial solvers, COMSOL Multiphysics and CST, with the former employing the Finite Element Method (FEM) and the latter the Finite Difference Time Domain (FDTD) technique. Sound agreement between all four methods (ie., two analytical and two numerical) is observed, with results indicating that only a perturbation in self-inductance occurs for the half-penny cracks, while a substantial reduction takes place for the case of complete cracks. It is important to note that even though a static μ r is applied, representing the linear region of the BH curve (based on manufacturer specifications), the complete crack results still place a lower conservative bound on the inductance. This follows from the fact that even in the case of a half-penny crack, if the magnetic core portion of the crack approaches saturation, the crack begins to behave like an air gap, or complete crack. When an air gap is introduced into a magnetic core, a substantial reduction in inductance can occur due to the significant difference in permeabilities between the two mediums (ie., μ core >> μ air ). The once intact bulk magnetic core of the toroid essentially begins to behave like an air core.

36 MATERIALS SCIENCE↗

A Particle-in-Cell Method for Plasmas with a Generalized Momentum Formulation, Part I: Model Formulation

Here, this paper formulates a new particle-in-cell method for the Vlasov–Maxwell system. Under the Lorenz gauge condition, Maxwell’s equations for the electromagnetic fields can be written as a collection of scalar and vector wave equations. The use of potentials for the fields motivates the adoption of a Hamiltonian formulation for particles that employs the generalized (conjugate) momentum. A notable advantage offered by the Hamiltonian formulation is the elimination of time derivatives in the Lorenz gauge formulation that are required by the standard Newton–Lorentz treatment of the particles. This allows the fields to retain the full time-accuracy guaranteed by the field solver. The resulting updates for particles require only knowledge of the fields and their spatial derivatives. An analytical method for constructing these spatial derivatives is presented that exploits the underlying integral solution used in the field solver for the wave equations. Moreover, these derivatives are demonstrated to converge at the same rate as the fields in both time and space. The Method of Lines Transpose field solver we consider in this work is globally first-order accurate in time and high-order accurate in space (e.g., fourth- and fifth-order) and belongs to a larger class of methods which are unconditionally stable, can address geometry, and leverage $\mathcal {O}(N)$ fast summation methods for efficiency. We demonstrate the method on several well-established benchmark problems on bounded domains, including a plasma sheath as well as a relativistic particle beam. The efficacy of the proposed formulation is established by comparing with a second-order accurate finite-difference time-domain method that employs a leapfrog time advance for particles and a charge conserving map suitable for bounded domains. The new method shows mesh-independent numerical heating properties even in cases where the plasma Debye length is smaller than the grid spacing. This is an important feature of the new method for problems defined on bounded domains, because it permits the use of coarser grids in space in the representation of the fields. Such a capability has significant implications for the simulation of plasmas in bounded domains with complex geometry, where the ratio between the largest and smallest cells can vary significantly. The use of high-order spatial approximations in the new method also means that fewer grid points are required in order to achieve a fixed accuracy. Our results also suggest that the new method can be used with fewer simulation particles per cell compared to the benchmark explicit method, which permits further computational savings.

97 MATHEMATICS AND COMPUTING↗

Truly horizontal finite difference scheme in the WRF model FY18 Q1 Update

A main goal of the Wind Forecasting Improvement Project 2 (WFIP2) is to improve performance of the Weather Research and Forecasting (WRF) model over complex terrain. Two methods for improving model performance were outlined in the LLNL WFIP 2 annual operating plan. The first is modification to WRF’s horizontal finite difference scheme to utilize an improved numerical stencil. A second proposed model improvement is use of the immersed boundary method within the WRF model to facilitate improved simulations over complex terrain. In Q1, work focused on implementing an alternative finite difference scheme, with a deliverable of a project update. The alternative finite difference method was implemented for the temperature variable and shown to improve our selected test case, and recommendations are made to continue the work in Q2. In Q2 the focus should be on extending the method to additional model variables, mainly pressure, as well as to real test cases, such as the WFIP 2 cold pool test case. Additionally, use of the immersed boundary method will be pursed in Q2 and Q3, with a second project update due at the end of Q3.

17 WIND ENERGY↗

Measurement of Interfacial Fracture Toughness of Surface Coatings Using Pulsed-Laser-Induced Ultrasonic Waves

This research develops a new technique for the measurement of interfacial fracture toughness of films/surface coatings using laser-induced ultrasonic waves. Using pulsed laser ablation on the bottom substrate surface, strong stress waves are generated leading to interfacial fractures and coating delamination. Simultaneously, a laser ultrasonic interferometer is used to measure the normal (out-of-plane) displacement of the top surface coating in order to detect coating delamination in a non-destructive manner. We can thus determine the critical laser energy for delamination, yielding the critical stress (that is, the interfacial strength). Subsequently, to examine the interfacial fracture toughness, additional pulsed laser irradiation is applied to a pre-delaminated specimen to show that the delamination area expands. This type of interfacial crack growth can be visualized using laser ultrasonic scanning. Furthermore, the calculation of elastic wave propagation was carried out using a finite-difference time-domain method) in order to accurately estimate the interfacial stress field. In this calculation, the stress distribution around the initial delamination is calculated to obtain the stress intensity factor. Based on the experimental and computational results, interfacial fracture toughness can be quantitatively evaluated. Since this technique relies on a two-laser system in a non-contact approach, it may be useful for a quantitative evaluation of adhesion/bonding quality (including both interfacial fracture strength and toughness) in various environments.

42 ENGINEERING↗

Role of structural anisotropy in geometric birefringence of high-birefringence index-guiding PCFs: analysis by moment of inertia

We have studied the role of structural anisotropy on the geometric birefringence of four typical high-birefringence (HB) index-guiding photonic crystal fibers (PCFs) with the same air-silica structure and circular, ellipse, and rectangle air holes, respectively. The normalized difference between the moment of inertia ΔI in x and y direction of the PCF structure is utilized to quantificationally describe the structural anisotropy. We demonstrate that the phase birefringence B increases monotonously when the normalized ΔI rises in different cases of PCFs structures. In order to obtain high birefringence B, it can be an effective method to optimize the parameters of the structure to increase the normalized ΔI. This work can be not only a reference of founding the essence of geometric birefringence and proposing the optimal design of HB-IG-PCFs, but also an enlightenment for bringing the different method (compared to the finite element) into the investigation of PCFs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Designing a high sensitivity hexagonal nano-cavity photonic crystal resonator for the purpose of seawater salinity sensing

In this paper a sensing platform based on nano-cavity photonic crystal resonator (NC-PCR) is proposed for seawater salinity concentration detection. It has been demonstrated that the proposed NC-PCR has high sensitivity and selectivity for various concentrations of seawater salinity. The sensitivity is computed to be as high as 544 nm/RIU (nm per refractive index unit) and the quality factor (Q) is 3860. Also it has been shown that the figure of merit for the proposed structure calculated to be as high as ~ 1.234 × 10{sup 3} RIU{sup −1} which is very appropriate for sensing applications. Moreover, the minimum detection limit for the presented structure is obtained as 8.1 × 10{sup −5} RIU. The finite-difference time-domain method is employed to investigate the transmission characteristics of the device for a verity of refractive indices. It should also be mentioned that our design is comparatively easy to fabricate and certainly the advantages of our design justify its usage in sensing applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Effect of electron–electron interactions on optical properties of GaN/AlN quantum wells: a nonlinear Schrödinger equation approach

Researchers usually neglect the electron–electron interaction effect when they study the optical properties of semiconducting nanostructures through the compact density matrix approach. In the existing papers, this work has also been done through self-consistent solution of the Schrödinger and Poisson equations. For the first time, we have investigated the electronic and optical properties of wurtzite GaN/AlN quantum wells in the presence of electron–electron interactions assuming weak electron–electron scattering through a numerical solution of a nonlinear Schrödinger equation. It is shown that the electron–electron interaction effect leads to the removal of the N-fold degeneracy in the energy levels of N-well multiple quantum well systems. Effects of different parameters such as electric field, the strength of the electron–electron interaction, a total length of the system and also two different numbers of wells (1 and 2) on the mentioned optical properties have been investigated. Also, we observed redshifts in the optical rectification coefficient peak positions when the nonlinear parameter increased. Finite difference self-consistent method was employed to solve the nonlinear Schrödinger equation and we demonstrated the method convergence. Finally, we illustrated the accuracy of the method by comparing our energy values with those of the Sinc method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A new proposal for a high-performance 4-channel demultiplexer based on 2D photonic crystal using three cascaded ring resonators for applications in advanced optical systems

In this paper, a high-performance 4-channel demultiplexer (DEMUX) based on 2D photonic crystal using three cascaded ring resonators is proposed. The proposed DEMUX is composed of square lattice of silicon dielectric rods with a refractive index of 3.46 suspended in air. For the proposed device, the lattice constant a = 590 nm and the filling factor r/a = 0.2. In this study, the plane wave expansion and finite-difference time-domain methods are used respectively to characterize the photonic band gap and to investigate the optical behaviour of the structure. It is demonstrated that by choosing appropriate values for the radius of the inner rods, scattering rods, coupling rods and the coupling length between the bus and the drop waveguides, the desired wavelengths can effectively be separated. The resonant wavelengths of the proposed DEMUX are 1528.7 nm, 1535.3 nm, 1531 nm, and 1533 nm. The mean quality factor, spectral bandwidth and the transmission efficiency of our device are computed to be respectively 7358.5, 0.217 nm and 99.25%. The proposed DEMUX has a mean channel spacing, minimum and maximum values of crosstalk of about 2.2 nm, − 46.68 dB and − 9.79 dB, respectively. Furthermore, the footprint of the device is 294.4 μm{sup 2}, which is suitable for photonic integrated circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A 2 × 1 all-optical multiplexer using Kerr nonlinear nano-plasmonic switch

In this paper, a novel surface plasmon polariton based 2 × 1 multiplexer, which is based on an adder module and an all-optical controllable nano-plasmonic switching module is presented. It is shown that by applying a pump light, the transmissions of the input signals into the output waveguide can be controlled. The operation of the proposed device is investigated through the use of coupled-mode theory and finite-difference time-domain method. In the proposed adder module, the transmissions of the input signals at the working wavelengths are about 0.7. Based on the simulation results, by applying a pump light intensity of 150 KW/cm{sup 2} the transmissions of input signals alter with the extinction ratio of 22.04 dB, which shows a significant switching effect. For a pump light intensity of 150 KW/cm{sup 2} the switching times of input signals are measured about 560 fs. It is expected that the proposed 2 × 1 multiplexer can be used in all-optical signal processing, nano-plasmonic circuits, communication, etc.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A robust fourth-order finite-difference discretization for the strongly anisotropic transport equation in magnetized plasmas

We propose a second-order temporally implicit, fourth-order-accurate spatial discretization scheme for the strongly anisotropic heat transport equation characteristic of hot, fusion-grade plasmas. Following Du Toit et al. (2018), the scheme transforms mixed-derivative diffusion fluxes (which are responsible for the lack of a discrete maximum principle) into nonlinear advective fluxes, amenable to nonlinear-solver-friendly monotonicity-preserving limiters. The scheme enables accurate multi-dimensional heat transport simulations with up to seven orders of magnitude of heat-transport-coefficient anisotropies with low cross-field numerical error pollution and excellent algorithmic performance, with the number of linear iterations scaling very weakly with grid resolution and grid anisotropy, and scaling with the square-root of the implicit timestep. We propose a multigrid preconditioning strategy based on a lower-order approximation that renders the scheme efficient and scalable under grid refinement. Several numerical tests are presented that display the expected spatial convergence rates and strong algorithmic performance, including fully nonlinear magnetohydrodynamics simulations of kink instabilities in a Bennett pinch in 2D helical geometry and of ITER in 3D toroidal geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Diffraction of radio frequency waves by spatially modulated interfaces in the plasma edge in tokamaks

We report the use of radio frequency (RF) waves in fusion plasmas for heating, for non-inductive current generation, for profile control and for diagnostics has been well established. The RF waves, excited by antenna structures placed near the wall of a fusion device, have to propagate through density fluctuations at the plasma edge. These fluctuations can modify the properties of the RF waves that propagate towards the core of the plasma. A full-wave electromagnetic computational code ScaRF based on the finite difference frequency domain (FDFD) method has been developed to study the effect of density turbulence on RF waves. The anisotropic plasma permittivity used in the scattering studies is that for a magnetized, cold plasma. The code is used to study the propagation of an RF plane wave through a modulated, spatially periodic density interface. Such an interface could arise in the edge region due to magnetohydrodynamic instability or drift waves. The frequency of the plane wave is taken to be in the range of the electron cyclotron frequency. The scattering analysis is applicable to ITER-like plasmas, as well as to plasmas in medium sized tokamaks such as TCV, ASDEX-U and DIII-D. The effect of different density contrasts across the interface and of different spatial modulations are discussed. While ScaRF is used to study a periodic density fluctuation, the code is general enough to include different varieties of density fluctuations in the edge region – such as blobs and filaments, and spatially random fluctuations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Modeling Structural Colors from Disordered One-Component Colloidal Nanoparticle-Based Supraballs Using Combined Experimental and Simulation Techniques

Bright, saturated structural colors in birds have inspired synthesis of self-assembled, disordered arrays of assembled nanoparticles with varied particle spacings and refractive indices. However, predicting colors of assembled nanoparticles, and thereby guiding their synthesis, remains challenging due to the effects of multiple scattering and strong absorption. In this work, we use a computational approach to first reconstruct the nanoparticles’ assembled structures from small-angle scattering measurements and then input the reconstructed structures to a finite-difference time-domain method to predict their color and reflectance. This computational approach is successfully validated by comparing its predictions against experimentally measured reflectance and provides a pathway for reverse engineering colloidal assemblies with desired optical and photothermal properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Harnessing complexity: Nonlinear optical phenomena in L-shapes, nanocrescents, and split-ring resonators

Here, we conduct systematic studies of the optical characteristics of plasmonic nanoparticles that exhibit C 2v symmetry. In particular, we analyze three distinct geometric configurations: an L-type shape, a crescent, and a split-ring resonator shaped like the Greek letter π. Optical properties are examined using the finite-difference time-domain method. It is demonstrated that all three shapes exhibit two prominent plasmon modes associated with the two axes of symmetry. This is in addition to a wide range of resonances observed at high frequencies corresponding to quadrupole modes and peaks due to sharp corners. Next, to facilitate nonlinear analysis, we employ a semiclassical hydrodynamic model, where the electron pressure term is explicitly accounted for. This model goes beyond the standard Drude description and enables capturing nonlocal and nonlinear effects. Employing this model enables us to rigorously examine the second-order angular resolved nonlinear optical response of these nanoparticles in each of the three configurations. Two pumping regimes are considered, namely, continuous wave (CW) and pulsed excitations. For CW pumping, we explore the properties of the second harmonic generation (SHG). Polarization and angle-resolved SHG spectra are obtained, revealing strong dependence on the nanoparticle geometry and incident wave polarization. The C 2v symmetry is shown to play a key role in determining the polarization states and selection rules of the SHG signal. For pulsed excitations, we discuss the phenomenon of broadband terahertz (THz) generation induced by the difference-frequency generation . It is shown that the THz emission spectra exhibit unique features attributed to the plasmonic resonances and symmetry of the nanoparticles. The polarization of the generated THz waves is also examined, revealing interesting patterns tied to the nanoparticle geometry. To gain deeper insight, we propose an analytical theory that agrees very well with the numerical experiments. The theory shows that the physical origin of the THz radiation is the mixing of various frequency components of the fundamental pulse by the second-order nonlinear susceptibility. An expression for the far-field THz intensity is derived in terms of the incident pulse parameters and the nonlinear response tensor of the nanoparticle. The results presented in this work offer new insights into the linear and nonlinear optical properties of nanoparticles with C 2v symmetry. The demonstrated strong SHG response and efficient broadband THz generation hold great promise for applications in nonlinear spectroscopy, nanophotonics, and optoelectronics. The proposed theoretical framework also provides a valuable tool for understanding and predicting the nonlinear behavior of other related nanostructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of an Optical Library for Coevaporated CdSe x Te 1– x

The conversion efficiency of CdTe solar cells may be improved by bandgap engineering, i.e., changing the bandgap value through the addition of Se in the absorber. The Se alloying enables a short-circuit current density improvement, as it leads to a bandgap energy value decrease. Furthermore, it has been associated with increased minority carrier lifetimes, assuring high open-circuit voltage values. An Se gradient profile control can further optimize the solar cell performance. Thus, an optical model baseline of the CdSe x Te 1–x (CST) compound was developed. Spectroscopic ellipsometry measurements were conducted to accurately extract the optical constants of ten CST layers deposited through coevaporation with x varying from 0 to 1. Using the measured dielectric function spectra from the discrete CST layers with varying x, and considering the composition-induced shift in the critical point energies, an energy-shift model was employed to develop the accurate optical library for the CST compound for any x value to provide data for future modeling and optimization. Furthermore, the library accuracy was validated through optical simulations of the quantum efficiency of a graded CST solar cell using the finite-difference time-domain method by replicating the Se profile in the absorber layer measured through secondary ion mass spectrometry.

14 SOLAR ENERGY↗

Kimberlina 1.2 CCUS Geophysical Models and Synthetic Data Sets

This synthetic multi-scale and multi-physics data set was produced in collaboration with teams at the Lawrence Berkeley National Laboratory, National Energy Technology Laboratory, Los Alamos National Laboratory, and Colorado School of Mines through the Science-informed Machine Learning for Accelerating Real-Time Decisions in Subsurface Applications (SMART) Initiative. Data are associated with the following publication: Alumbaugh, D., Gasperikova, E., Crandall, D., Commer, M., Feng, S., Harbert, W., Li, Y., Lin, Y., and Samarasinghe, S., “The Kimberlina Synthetic Geophysical Model and Data Set for CO2 Monitoring Investigations”, The Geoscience Data Journal, 2023, DOI: 10.1002/gdj3.191. The dataset uses the Kimberlina 1.2 CO2 reservoir flow model simulations based on a hypothetical CO2 storage site in California (Birkholzer et al., 2011; Wainwright et al., 2013). Geophysical properties models (P- and S-wave seismic velocities, saturated density, and electrical resistivity) were produced with an approach similar to that of Yang et al. (2019) and Gasperikova et al. (2022) for 100 Kimberlina 1.2 reservoir models. Links to individual resources are provided below: [CO2 Saturation Models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-co2-saturation-models); Resistivity Models – [part 1](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-resistivity-models-part-1), [part 2](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-resistivity-models-part-2), and [part 3](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-resistivity-models-part-3); [Vp Velocity Models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-vp-velocity-models); [Vs Velocity Models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-vs-velocity-models); [Density Models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-density-models). The 3D distributions of geophysical properties for the 33 time stamps of the SIM001 model were used to generate synthetic seismic, gravity, and electromagnetic (EM) responses for 33 times between zero and 200 years. Synthetic surface seismic data were generated using 2D and 3D finite-difference codes that simulate the acoustic wave equation (Moczo et al., 2007). 2D data were simulated for six point-pressure sources along a 2D line with 10 m receiver spacing and a time spacing of 0.0005 s. 3D simulations were completed for 25 surface pressure sources using a source separation of 1 km in both the x and y directions and a time spacing of 0.001 s. Links to individual resources are provided below: [2D velocity models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-2d-velocity-models) and [2D surface seismic data](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-2d-surface-seismic-data). [3D velocity models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-velocity-models), and 3D seismic data [year0](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year0), [year1](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year1), [year2](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year2), [year5](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year5), [year10](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year10), [year15](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year15), [year20](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year20), [year25](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year25), [year30](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year30), [year35](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year35), [year40](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year40), [year45](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year45), [year49](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year49), [year50](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year50), [year51](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year51), [year52](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year52), [year55](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year55), [year60](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year60), [year65](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year65), [year70](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year70), [year75](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year75), [year80](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year80), [year85](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year85), [year90](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year90), [year95](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year95), [year100](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year100), [year110](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year110), [year120](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year120), [year130](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year130), [year140](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year140), [year150](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year150), [year175](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year175), [year200](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year200). The Python scripts to read these models and data are provided [here](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-python-scripts). EM simulations used a borehole-to-surface survey configuration, with the source located near the reservoir level and receivers on the surface using the code developed by Commer and Newman (2008). Pseudo-2D data for the source at [2500 m](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-pseudo-2d-csem-data-tz2500m) and [3025 m](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-pseudo-2d-csem-data-tz3025m), used a 2D inline receiver configuration to simulate a response over 3D resistivity models. The [3D data](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-csem-data) contain electric fields generated by borehole sources at monitoring well locations and measured over a surface receiver grid. Vector gravity data, both on the surface and in boreholes, were simulated using a modeling code developed by Rim and Li (2015). The simulation scenarios were parallel to those used for the EM: [pseudo-2D data](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-gravity-data) were calculated along the same lines and within the same boreholes, and [3D data](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-gravity-data) were simulated over 3D models on the surface and in three monitoring wells. A series of [synthetic well logs](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-well-logs) of CO2 saturation, acoustic velocity, density, and induction resistivity in the injection well and three monitoring wells are also provided at 0, 1, 2, 5, 10, 15, and 20 years after the initiation of injection. These were constructed by combining the low-frequency trend of the geophysical models with the high-frequency variations of actual well logs collected in the Kimberlina 1 well that was drilled at the proposed site. Measurements of permeability and pore connectivity were made on cores of Vedder Sandstone, which forms the primary reservoir unit: [CT micro scans](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-ct-micro-scans-of-vedder-formation) and [Industrial CT Images](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-industrial-ct-images-vedder-formation). These measurements provide the range of scales in the otherwise synthetic data set to be as close to a real-world situation as possible. References: Birkholzer, J.T., Zhou, Q., Cortis, A. and Finsterle, S., 2011. A sensitivity study on regional pressure buildup from large-scale CO2 storage projects. Energy Procedia, 4, 4371-4378. Commer, M., and Newman, G.A., 2008. New advances in three-dimensional controlled-source electromagnetic inversion, Geophysical Journal International, 172, 513-535. Gasperikova, E., Appriou, D., Bonneville, A., Feng, Z., Huang, L., Gao, K., Yang, X., Daley, T., 2022, Sensitivity of geophysical techniques for monitoring secondary CO2 storage plumes, Int. J. Greenh. Gas Control, Volume 114, 103585, ISSN 1750-5836, https://doi.org/10.1016/j.ijggc.2022.103585. Moczo, P., J.O. Robertsson and L. Eisner, 2007, The finite-difference time-domain method for modeling of seismic wave propagation: Advances in geophysics, 48, 421-516. Rim, H., and Y. Li, 2015, Advantages of borehole vector gravity in density imaging, Geophysics, 80, G1-G13. Wainwright, H. M.; Finsterle, S.; Zhou, Q.; Birkholzer, J. T., 2013. Modeling the Performance of Large-Scale CO2 Storage Systems: A Comparison of Different Sensitivity Analysis Methods. International Journal of Greenhouse Gas Control, 17, 189205. https://doi.org/10.1016/j.ijggc.2013.05.007, DOI: 10.18141/1603331. Yang, X., Buscheck, T.A., Mansoor, K., Wang, Z., Gao, K., Huang, L., Appriou, D., and Carroll, S.A., 2019. Assessment of geophysical monitoring methods for detection of brine and CO2 leakage in drinking water aquifers, International Journal of Greenhouse Gas Control, 90, 102803, https://doi.org/10.1016/j.ijggc.2019.102803.

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