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DOE OSTI2025

Laser damage of crazed electron-beam high-reflectors following infrared and ultraviolet irradiation in the nanosecond pulse regime

Laser damage of optical components can be a limiting factor in scaling the energetics of high-peak and average power laser systems. Specifically for optical coatings, damage under nanosecond pulsed irradiation is initiated by pre-existing defects in the coating layers, including those that cause discontinuities in the structure, like craze lines. Crazing or cracking in a multilayer dielectric optical coating is induced when the overall coating stress is sufficiently tensile, and is an occasionally observed issue when employing more porous deposition techniques like electron-beam evaporation. Here, in this study, electron-beam high-reflectors were fabricated utilizing process parameters that are known to induce crazing based on prior processing history to systematically evaluate the impact of crazing on reflector damage performance for 1064 and 355 nm lasers. The crazing that was observed was apparently nucleated at nodular defects. When the cross-section of these nodules was investigated, it was observed that there were cracks into the fused silica substrate of approximately 5 µm in depth. The craze lines were irradiated with 1064 and 355 nm light at fluences slightly above the onset of damage initiation fluence of the coating. The 1064 nm irradiated sub-apertures exhibit laser damage but with no spatial correlation with the craze line, whereas the 355 nm irradiated area exhibited many damage sites along the craze line. Finite-difference time-domain electric-field simulations were conducted, and ∼2× field amplification in hafnia was observed for the 355 nm wavelength case. The laser damage can be attributed to a slight electric-field intensification coincidental with an area where UV damage-prone precursors are known to occur. The 355 nm laser damage in uncoated fused silica substrates has been previously correlated to initiate through localized UV absorption at the broken silica bonds in the tips of fractures.

Harthcock, Colin [Lawrence Livermore National Labo↗

DOE OSTI2020

Computational modelling and experimental tank testing of the multi float WaveSub under regular wave forcing

A submerged wave device generates energy from the relative motion of floating bodies. In WaveSub, three floats are joined to a reactor; each connected to a spring and generator. Electricity generated damps the orbital movements of the floats. The forces are non-linear and each float interacts with the others. Tuning to the wave climate is achieved by changing the line lengths, so there is a need to understand the performance trade-offs for a large number of configurations. This requires an efficient, large displacement, multidirectional, multi-body numerical scheme. Results from a 1/25 scale wave basin experiment are described. Here, we show that a time domain linear potential flow formulation (Nemoh, WEC-Sim) can match the tank testing provided that suitably tuned drag coefficients are employed. Inviscid linear potential models can match some wave device experiments; however, additional viscous terms generally provide better accuracy. Scale experiments are also prone to mechanical friction, and we estimate friction terms to improve the correlation further. The resulting error in mean power between numerical and physical models is approximately 10%. Predicted device movement shows a good match. Overall, drag terms in time domain wave energy modelling will improve simulation accuracy in wave renewable energy device design. to understand the performance trade-offs for a large number of configurations. This requires an efficient, large displacement, multidirectional, multi-body numerical scheme. Results from a 1/25 scale wave basin experiment are described. Here, we show that a time domain linear potential flow formulation (Nemoh, WEC-Sim) can match the tank testing provided that suitably tuned drag coefficients are employed. Inviscid linear potential models can match some wave device experiments; however, additional viscous terms generally provide better accuracy. Scale experiments are also prone to mechanical friction, and we estimate friction terms to improve the correlation further. The resulting error in mean power between numerical and physical models is approximately 10%. Predicted device movement shows a good match. Overall, drag terms in time domain wave energy modelling will improve simulation accuracy in wave renewable energy device design.

16 TIDAL AND WAVE POWER↗

DOE OSTI2022

Monte-Carlo modeling of phonon thermal transport using DFT-based anisotropic dispersion relations over the full Brillouin zone

In this work, we present a Monte Carlo (MC) approach to solve the phonon Boltzmann transport equation (BTE) in which the anisotropic phonon dispersion relations over the full Brillouin zone (BZ) are used. In this approach, the discretization of the BZ used to compute the phonon relaxation time places constraints on the direction of scattered phonons in the real-space simulation domain. The phonon dispersion and phonon relaxation times are calculated using the density functional theory (DFT) approach. The modified MC approach is validated by a close examination of its ability to simulate phonon transport in both the ballistic and diffusive regimes for multiple materials including GaAs, InAs, ThO 2 , and α-U. In doing so, the phonon thermal conductivities from 100 K to 1000 K are calculated and compared with traditional non-transport solution of the phonon BTE. It is found that the phonon thermal conductivities of α-U and ThO 2 obtained from MC simulations using isotropic dispersion are larger than the values obtained using anisotropic phonon dispersion relations over the full BZ. The effect of phonon-defect scattering on the thermal conductivity of ThO 2 is also studied as an application of the current MC approach and found to agree with previously computed values in the literature. The MC solver developed here has been parallelized as a step to demonstrate its potential to solving computationally intensive phonon thermal transport problems at the mesoscale.

36 MATERIALS SCIENCE↗

DOE OSTI2024

X-ray Thomson scattering absolute intensity from the f-sum rule in the imaginary-time domain

We present a formally exact and simulation-free approach for the normalization of X-ray Thomson scattering (XRTS) spectra based on the f-sum rule of the imaginary-time correlation function (ITCF). Our method works for any degree of collectivity, over a broad range of temperatures, and is applicable even in nonequilibrium situations. In addition to giving us model-free access to electronic correlations, this new approach opens up the intriguing possibility to extract a plethora of physical properties from the ITCF based on XRTS experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Dynamic Phasor Modeling of Various Multipulse Rectifiers and a VSI Fed by 18-Pulse Asymmetrical Autotransformer Rectifier Unit for Fast Transient Analysis

To study the fast modelling of dynamic characteristics caused by power electronic switching, the dynamic phasor (DP) theory based on the time-varying Fourier decomposition and frequency shifting is firstly applied to the modelling of various multipulse rectifiers. The DP model for symmetrical 12-pulse phase-shifting reactor rectifier unit (PSR-RU) is derived with model order reduction, relations between ac and dc terminals, and Taylor series expansion. The DP model of asymmetrical 18-pulse autotransformer rectifier unit (AT-RU) is proposed based on the switching functions expressed in the DP domain. Meanwhile, the DP model of voltage source inverter (VSI) fed by asymmetrical 18-pulse AT-RU is built with the harmonic state-space (HSS) equations. Under both balanced and unbalanced conditions, the good calculation accuracy and rapid simulation speed of the developed DP models are validated by the detailed time-domain (TD) simulation.

42 ENGINEERING↗

DOE OSTI2020

Performance evaluation of surface riding wave energy converter with linear electric generator

In this work, we devised a new WEC (wave energy converter) called SR-WEC (Surface Riding WEC). The SR-WEC consists of two bodies: the outer cylinder with an armature assembly (body #1) and a magnet assembly (body #2) sliding inside the armature. For the SR-WEC, the relative sliding displacement and velocity are caused by gravity acceleration and the outer cylinder's motions, and they lead to electrical power generation. To evaluate its performance, a numerical simulation tool was developed, which solves the fully-coupled floater-mooring-generator dynamics. During the developing stage, the appropriate hydrodynamics model, sliding mechanics model, mooring dynamics model, and LEG (linear electric generator) electro-magnetic model were independently developed and then fully coupled in time domain to account for the cross-coupling interactions among them. Then, the developed simulation tool was verified component by component against various laboratory tests. Subsequently, systematic parametric studies were conducted with several important design parameters under various wave conditions to enhance power generation. After that, the average output power was evaluated in enlarged operational wave conditions. The present SR-WEC is particularly designed to be efficient at low sea states, which is good since they cover the majority of typical annual sea states.

42 ENGINEERING↗

DOE OSTI2022

Heating and Acceleration of Solar Wind by Parametric Decay Instability Mediated Turbulence

One of the main goals of this project to understand the origin of density fluctuations in the solar winds, as revealed by the NASA’s Flagship satellite Parker Solar Probe (PSP) measurements, which motivates us to simulate and analyze magnetohydrodynamic (MHD) turbulence in the compressible regime. To achieve this goal, we have developed a set of sophisticated turbulence driving methods to study how MHD turbulence will develop under different time-correlated fluctuations at large-scales. Another key advance is that we have developed a new 3+1 (three spatial plus time domain) 4D FFT analysis of simulation data-cubes so that we can perform the spatio-temporal spectrum and mode decomposition studies on MHD turbulence.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

New Developments and Capabilities Within WEC-Sim

WEC-Sim is an open-source software for simulating wave energy converters and has been actively developed and applied since its initial release in 2014 to simulate a wide variety of device archetypes. WEC-Sim is developed jointly by the National Renewable Energy Laboratory and Sandia National Laboratories within the MATLAB/SIMULINK environment. A general wave-to-wire model begins with a deployment site resource characterization, which is used to complete the hydrodynamic simulation of wave energy converters (WEC), with the power generation profile imported to a grid simulator to understand the influence on the local electrical network. While modeling the entire wave-to-wire is difficult and encompasses multiple time scales and physics, WEC-Sim is focused on the hydrodynamics simulation to predict, analyze, and optimize WEC dynamics and power performance. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM)-based frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). With this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. Additional WEC-Sim functionalities include pre-built Simulink blocks and MATLAB scripts that can simulate a wide range of floating systems and the corresponding auxiliary subsystems. The developers of WEC-Sim continue to release new versions of the software, at least annually, with the latest release in September 2022. These releases include bug fixes, updates to software documentation, as well as new features to expand WEC-Sim's capabilities to model a wide range of WEC concepts. This publication will highlight the new features added to WEC-Sim between versions 4.1.0 to 5.0.1, which spans a 2-year period from June 2020 to September 2022. New features described here include topics such as continuous integration checks, revised Morison Element and nonlinear hydro implementations, run directly from Simulink (required for hardware-in-the-loop execution), BEMIO updates to import Capytaine BEM hydrodynamics, addition of cable blocks, and new wave visualization features.

TIDAL AND WAVE POWER↗

DOE OSTI2023

New Developments and Capabilities Within WEC-Sim: Preprint

WEC-Sim is an open-source software for simulating wave energy converters, which has been actively developed and applied since its initial release in 2014 to simulate a wide variety of device archetypes. WEC-Sim is developed jointly by the National Renewable Energy Laboratory (NREL) and Sandia National Laboratories (Sandia) within the MATLAB/SIMULINK environment. A general wave-to-wire model begins with a deployment site resource characterization, which is used to complete the hydrodynamic simulation of wave energy converters (WEC), with the power generation profile imported to a grid simulator to understand the influence on the local electrical network. While modeling the entire wave-to-wire is difficult and encompasses multiple time scales and physics, WEC-Sim is focused on the hydrodynamics simulation to predict, analyze, and optimize WEC dynamics and power performance. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM)-based frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). With this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. Additional WEC-Sim functionalities include pre-built Simulink blocks and MATLAB scripts that can simulate a wide range of floating systems and the corresponding auxiliary subsystems. The developers of WEC-Sim continue to release new versions of the software, at least annually, with our latest release in September 2022. These releases include bug fixes, updates to software documentation, as well as new features to expand WEC-Sim's capabilities to model a wide range of WEC concepts. This publication will highlight the new features added to WEC-Sim between versions 4.1.0 to 5.0.1 which spans over a two year period from June 2020 to September 2022. New features to be described will include topics such as continuous integration checks, revised Morison Element and nonlinear hydro implementations, run directly from Simulink (required for hardware-in-the-loop execution), BEMIO updates to import Capytaine BEM hydrodynamics, addition of cable blocks, and new wave visualization features.

TIDAL AND WAVE POWER↗

DOE OSTI2024

Advanced Features and Recent Developments in the WEC-Sim Open-Source Design Tool: Preprint

WEC-Sim is an open-source tool developed in Matlab/Simulink to simulate wave energy converters. WEC-Sim has been developed jointly by the National Renewable Energy Laboratory (NREL) and Sandia National Laboratories (SNL) since its initial release in 2014. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM)-based frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). Within this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. WEC-Sim functionalities are developed using Simulink blocks and Matlab functions. WEC-Sim is capabilities include simulation of different wave conditions, constraints and PTOs, body dynamics, mooring systems, among other advanced features such as nonlinear hydrodynamics, nonlinear PTOs, body-to-body interactions, etc.

hydrodynamics modeling↗

DOE OSTI2022

Recent Developments in the WEC-Sim Open-Source Design Tool: Preprint

WEC-Sim (Wave Energy Converter SIMulator) is an open-source code for simulating wave energy converters, which has been actively developed and applied to simulate a wide variety of device archetypes and has become a popular tool since its initial release in 2014. WEC-Sim is developed jointly by the National Renewable Energy Laboratory (NREL) and Sandia National Laboratories (SNL) within the MATLAB/SIMULINK environment. Figure 1 illustrates a general wave-to-wire model which begins with a deployment site resource characterization, which is used to complete the hydrodynamic simulation of a single WEC (or array), with the power generation profile imported to a grid simulator to understand the influence on the local electrical network. While modelling the entire wave-to-wire is difficult and encompass multiple time scales and physics, WEC-Sim is focused on the hydrodynamics simulation to predict, analyze and optimize WEC dynamics and power performance. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM) based-frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). Within this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. Table 1 lists additional WEC-Sim functionalities, which are created using prebuilt Simulink blocks and MATLAB scripts that can simulate a wide range of floating systems and the corresponding auxiliary subsystems.

hydrodynamics modeling↗

DOE OSTI2024

Sensitivity of Fine‐Resolution Urban Heat Island Simulations to Soil Moisture Parameterization

ABSTRACT Urban areas experience the impact of natural disasters, such as heatwaves and flash floods, disparately in different neighbourhoods across a city. The demand for precise urban hydrometeorological and hydroclimatological modelling to examine this disparity, and the interacting challenges posed by climate change and urbanisation, has thus surged. The Weather Research and Forecasting (WRF) model has served such operational and research purposes for decades. Recent advancements in WRF, including enhanced numerical schemes and sophisticated urban atmospheric‐hydrological parameterizations, have empowered the simulation of urban geophysical processes at high resolution (~1 km), but even this resolution misses significant urban microclimate variability. This study applies the large‐eddy simulations (LES) mode within WRF, coupled with single‐layer urban canopy models (SLUCM), to enable even finer‐scale modelling (150 m) of the Urban Heat Island (UHI) effect in the Baltimore metropolitan area. We run nine scenarios to evaluate various methods of initializing soil moisture and various spinup lead times, and to assess the impact of WRF's Mosaic approach in depicting subgrid‐scale processes. We evaluate the scenarios by comparing the WRF simulated land surface temperature (LST) against Landsat LST and the WRF simulated hourly 2‐m air temperatures (AT) with observations from eight weather stations across the domain. Results underscore the paramount influence of the lead spinup time on the spatiotemporal distribution of simulated soil moisture, consequently shaping WRF's efficacy in predicting the UHI. Furthermore, interpolating soil moisture‐related parameters from the parent for child domain initialization yields a notable reduction in mean and root‐mean‐squared errors. This improvement was particularly evident in simulations with the longest spinup time, affirming the importance of carefully designing the initialization of soil moisture for improved urban temperature predictions.

Talebpour, Mahdad↗

DOE OSTI2021

Computationally Efficient Multiscale Neural Networks Applied to Fluid Flow in Complex 3D Porous Media

Abstract The permeability of complex porous materials is of interest to many engineering disciplines. This quantity can be obtained via direct flow simulation, which provides the most accurate results, but is very computationally expensive. In particular, the simulation convergence time scales poorly as the simulation domains become less porous or more heterogeneous. Semi-analytical models that rely on averaged structural properties (i.e., porosity and tortuosity) have been proposed, but these features only partly summarize the domain, resulting in limited applicability. On the other hand, data-driven machine learning approaches have shown great promise for building more general models by virtue of accounting for the spatial arrangement of the domains’ solid boundaries. However, prior approaches building on the convolutional neural network (ConvNet) literature concerning 2D image recognition problems do not scale well to the large 3D domains required to obtain a representative elementary volume (REV). As such, most prior work focused on homogeneous samples, where a small REV entails that the global nature of fluid flow could be mostly neglected, and accordingly, the memory bottleneck of addressing 3D domains with ConvNets was side-stepped. Therefore, important geometries such as fractures and vuggy domains could not be modeled properly. In this work, we address this limitation with a general multiscale deep learning model that is able to learn from porous media simulation data. By using a coupled set of neural networks that view the domain on different scales, we enable the evaluation of large ( $$>512^3$$ > 512 3 ) images in approximately one second on a single graphics processing unit. This model architecture opens up the possibility of modeling domain sizes that would not be feasible using traditional direct simulation tools on a desktop computer. We validate our method with a laminar fluid flow case using vuggy samples and fractures. As a result of viewing the entire domain at once, our model is able to perform accurate prediction on domains exhibiting a large degree of heterogeneity. We expect the methodology to be applicable to many other transport problems where complex geometries play a central role.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Non-Invasive Electrode Impedance Estimation for Optimized Charge Profile Parameterization of Lithium-Ion Batteries

This work presents a non-invasive method for parameterizing a physically motivated equivalent circuit model of lithium-ion batteries using operando electrochemical impedance spectroscopy and time-domain data. The proposed model consists exclusively of linear circuit elements, enabling computationally efficient simulation and real-time implementation on battery management system chips. By integrating frequency- and time-domain measurements, the model accurately estimates internal states such as the negative electrode potential, achieving a root mean square error of 12.3 mV during fast charging validation. Parameterization requires only rate tests with sinusoidal perturbations at three different ambient temperatures, making the approach experimentally accessible. The model reveals key insights into battery behavior, including rate-dependent overpotentials primarily governed by charge transfer kinetics at the positive electrode, and temperature-dependent impedance contributions from both charge transfer and solid-state diffusion processes. Validation using reference electrodes confirms the model’s ability to detect lithium plating onset and reproduce impedance behavior across a wide range of operating conditions. The approach enables in situ optimization of fast charging profiles and lays the foundation for future extensions incorporating aging effects and plating dynamics.

25 ENERGY STORAGE↗

DOE OSTI2021

Pore-scale simulation of drying in porous media using a hybrid lattice Boltzmann: pore network model

In this work, a hybrid method coupling a pseudo-potential lattice Boltzmann model (LBM) and a pore network model (PNM) to simulate drying in porous media is proposed. Based on the watershed method, the porous medium is firstly decomposed into pore regions. According to the liquid–vapor phase distribution at a given time, the pore regions are further divided into four pore types, namely two-phase pores where a liquid–vapor interface exists, buffer pores next to the two-phase pores, single-liquid and single-vapor phase pores. The pseudo-potential LBM is used in the two-phase and buffer pores to simulate liquid drying and track the movement of the interfaces, while the single-phase PNM simulations are conducted in the buffer and single-phase pores to simulate vapor or liquid flow. LBM and PNM are coupled in the buffer pores through exchange of boundary information. The hybrid method is applied to simulate liquid drying in a porous medium. The whole-domain LBM simulation is considered as the reference solution to validate the hybrid method. Liquid saturation variation during the drying process and detailed phase and pressure distributions obtained by the two methods match quite well, demonstrating the accuracy of the hybrid method. For the specific case studied, the hybrid method saves more than 60% computational time compared to the whole-domain LBM simulation. In addition, the speedup of the hybrid method becomes more significant for a larger computational domain. In summary, the hybrid method developed in this work combines the accuracy of LBM and the efficiency of PNM to simulate drying in porous media at pore scale and can lead to significant reduction of computation time, thus allowing the pore-scale consideration of drying in larger porous systems.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Perspective on Integrative Simulations of Bioenergetic Domains

Bioenergetic processes in cells, such as photosynthesis or respiration, integrate many time and length scales, which makes the simulation of energy conversion with a mere single level of theory impossible. Just like the myriad of experimental techniques required to examine each level of organization, an array of overlapping computational techniques is necessary to model energy conversion. Here, in this work, a perspective is presented on recent efforts for modeling bioenergetic phenomena with a focus on molecular dynamics simulations and its variants as a primary method. An overview of the various classical, quantum mechanical, enhanced sampling, coarse-grained, Brownian dynamics, and Monte Carlo methods is presented. Example applications discussed include multiscale simulations of membrane-wide electron transport, rate kinetics of ATP turnover from electrochemical gradients, and finally, integrative modeling of the chromatophore, a photosynthetic pseudo-organelle.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Dissertation Proposal: Innovations in Pulsed Power and Plasma Science Theory Simulation and Experiment

Pulsed power and plasma physics are topics of great study at both Sandia National Laboratories (SNL or Sandia) and the University of New Mexico (UNM). The goal of this research is to further knowledge and understanding of these fields using the resources of both SNL and UNM in three ways. The first way is through the comprehension, application, and testing of theory. Reading and analytically deriving theoretical solutions of problems both real-world and simplified will allow for a fresh perspective and the furthering of the theory. One such theory is Ottinger's generalized theory for voltage measurement in magnetically insulated transmission lines (MITLs). By working through the math, a deeper understanding of the theory is gained from which one may add more physically accurate and/or more detailed physics into the theory. Additionally, understanding the theory lays a good foundation from which one can analyze, test, and compare results to the theory in the following two ways that will advance the fields of pulsed power and plasma physics. The second way is through the modeling and simulation of real-world and simplified problems that utilize and test the afore mentioned theories. Theory can be applied to a simulation domain by using the unstructured time-domain electromagnetic (UTDEM) codes EMPHASIS and EMPIRE as well as the physical modeling software CUBIT, all of which were developed at SNL. Problems such as the modeling and design of the extended MITL on HERMES III, the understanding of space-charge-limited emission from vacuum cathodes, and the interaction between a relativistic electron beam and an ideal gas can all be modeled, simulated, and analyzed with this set of codes. Here the advantage is three-fold. Firstly, theory that describes our understanding of these problems can be put to the test and advanced through iterative simulation and analysis. Secondly, the understanding of these problems will have a positive impact on national security through the advancement of the technological capability of the United States of America. Thirdly, and not unrelated to the prior advantage, is the validation and verification of EMPIRE and EMPHASIS. This segues into the third way, which is through experiment and the comparison of experiment to simulated and theoretical results. Performing experimental comparisons completes the scientific method and grounds all of the work in reality. Being able to physically test theory and simulation is necessary for any real conclusions to be drawn. Another advantage for carrying out experimental work is to advance the physical testing capabilities of SNL. Several systems will be developed and tested through the course of this work that positively impact technological advancement of Sandia National Labs. Lastly, all of the above work will converge to yield a well-rounded perspective that ties the three categories of research together.

42 ENGINEERING↗

DOE OSTI2021

3D orthorhombic earth model effects on seismic source characterization

Most earth materials are anisotropic with regard to seismic wave-speeds, especially materials such as shales, or where oriented fractures are present. However, the base assumption for many numerical simulations is to treat earth materials as isotropic media. This is done for simplicity, the apparent weakness of anisotropy in the far field, and the lack of well-characterized anisotropic material properties for input into numerical simulations. One approach for addressing the higher complexity of actual geologic regions is to model the material as an orthorhombic medium. We have developed an explicit time-domain, finite-difference (FD) algorithm for simulating three-dimensional (3D) elastic wave propagation in a heterogeneous orthorhombic medium. The objective of this research is to investigate the errors and biases that result from modeling a non-isotropic medium as an isotropic medium. This is done by computing “observed data” by using synthetic, anisotropic simulations with the assumption of an orthorhombic, anisotropic earth model. Green’s functions for an assumed isotropic earth model are computed and then used an inversion designed to estimate moment tensors with the “observed” data. One specific area of interest is how shear waves, which are introduced in an anisotropic model even for an isotropic explosion, affect the characterization of seismic sources when isotropic earth assumptions are made. This work is done in support of the modeling component of the Source Physics Experiment (SPE), a series of underground chemical explosions at the Nevada National Security Site (NNSS).

58 GEOSCIENCES↗