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At least 307 records · Page 17

A Benchmark Case for the Grid Survivability Analysis

Among current priorities of the power system analysis is the development of metrics and computational tools for the resilience analysis during catastrophic events. New methods and tools are required for such an analysis and they have to be validated prior application to real systems. However, benchmark problems are not readily available due to the analysis novelty. The current paper presents a case based on the IEEE 14-bus system for this purpose. The grid is simplified to a graph with nodes representing generators, loads, and buses. Power inputs are imported from real-time simulations of the IEEE 14-bus system. Outcomes of all possible combinations of failed elements are presented in terms of probabilities for the grid to survive, partially survive, or fail. Only the power grid's ability to withstand adverse events (survivability) is analyzed. The grid's recoverability, the other part of the resilience analysis, is not considered.

power system↗

A detailed study of pre-heating effects in electron beam melting powder bed fusion process

Metal-based additive manufacturing processes, such as powder bed fusion with electron beam (PBF-EB) process, also referred to as electron beam melting (EBM), can produce high-density parts with minimal residual stresses due to the uniform and coherent preheating of the powder bed. However, understanding and controlling the multiple stages of preheating is required to enable the production of high-quality, consistent parts of various materials. This work presents a large-scale, multi-layer, three-dimensional numerical analysis focused on studying the preheating stages for predicting thermal history during the PBF-EB process. The model follows a continuous multi-stage cyclic process, that incorporates all the main stages of the PBF-EB process for 316 L stainless steel. This includes the gradual deposition of a new powder layer, the first and second preheating levels of the powder bed, and the energy deposition during melting (excluding the actual melt-pool behavior simulation). The model employs an adaptive time-scaling approach that automatically adjusts the energy deposition for each solution time-increment. This allows for localized changes in time-resolution over an otherwise computationally expensive multi-layer procedure. The material property variations are also taken into account, with an emphasis on the subtle irreversible changes in powder effective thermal conductivity after the two requisite preheating stages of the powder bed. This effect is studied using simplified conductivity models from the literature for partially sintered powder, validated by a dedicated experiment and numerical simulation. The large-scale model is then used to estimate the actual temperatures during first and second preheating levels for 316 L steel, which is not yet fully supported commercially for PBF-EB. Model predictions are corroborated by experiments, using and analyzing IR images, taken at the completion of each layer by the machine’s built-in infrared camera. The current model also incorporates a qualitative assessment for the effects of conductivity change during pre-heating, as well as evaluates the applicability of the time-scaling approach.

36 MATERIALS SCIENCE↗

A New Simplified Discrete Fracture Model for Shearing of Intersecting Fractures and Faults

Abstract Shearing of fractures and faults is important because it can result in permeability change or even induce seismicity—both are keys for efficient and safe energy recovery and storage in Earth systems. Quantitative analysis of shearing of intersecting fractures and faults is challenging because it can involve dynamic frictional contacts that are complicated by deformation of the rock matrix. To predict the shearing of intersecting fractures/faults, we attempt to answer the question of how intersections impact the shearing of a fracture network and whether we can simplify the description as compared to classical discrete fracture network (DFN) models. To answer these questions, we conducted a series of numerical simulations on scenarios for variable numbers of intersecting fractures. All these examples yield consistent results: the results of using DFNs are consistent with those of using hypothetical major paths. This leads to a new model, which we name simplified discrete fracture network model , to analyze shearing of intersecting fractures/faults using major path(s). We found that the intersections of fractures do not fundamentally change the shearing of two intersecting fractures if the intersecting angles are small. Furthermore, increasing the number of fractures/faults may relax the stress as more fractures/faults become available for shearing and distributing the stress. The simplified DFN model, which can capture efficiently the shearing behavior of each major paths from a large number of intersecting fractures/faults, will be a promising conceptual model that is complementary to existing equivalent continuum and discrete fracture models to analyze shearing of intersecting fractures/faults.

58 GEOSCIENCES↗

High- and Mid-Fidelity Modeling Comparison for a Floating Marine Turbine System

There is a lack of suitable numerical tools, particularly open-source tools, that can be used for designing and optimizing marine turbine systems. The National Renewable Energy Laboratory has added features to their widely used mid-fidelity wind turbine modeling code, OpenFAST, to enable modeling of axial-flow marine turbines. This necessitated the addition of several physical effects relevant to marine turbines that are neglected for wind turbines. These include buoyancy, added mass and inertial loads, wave-current superposition, and changes to the coordinate systems. This updated version of OpenFAST allows for the modeling of both fixed and floating marine turbines at a speed comparable to real time. While efficient for large sets of load cases and design studies, mid-fidelity codes make simplifying assumptions that may impact their accuracy. High-fidelity computational fluid dynamics (CFD) simulations can capture more flow effects with fewer assumptions and provide detailed body pressure mapping and flow-field information. It is important to compare predictions between mid-fidelity and high-fidelity codes, both to verify the models and to understand the limitations. A floating marine turbine system was modeled both with OpenFAST and with the commercial CFD code STAR-CCM+. The CFD model used a three-dimensional unsteady Reynolds-averaged Navier-Stokes solver for a volume-of-fluid numerical wave and current tank. The blade-resolved simulations used the sliding-interface technique for the spinning rotor and an overset grid to accommodate the rigid-body motion of the floating system. The mooring system was modeled with a custom coupling of the CFD solver with the open-source code MoorDyn. This improves upon the existing quasi-static catenary solver in STAR-CCM+, which lacks seabed contact or line-to-line connections. Simulation results for a floating marine turbine are compared between OpenFAST and CFD, highlighting the capabilities of the mid-fidelity code and identifying the areas where a high-fidelity approach is needed.

CFD↗

Energy-dependent implementation of secondary electron emission models in continuum kinetic sheath simulations

The plasma-material interactions present in multiple fusion and propulsion concepts between the flow of plasma through a channel and a material wall drive the emission of secondary electrons. This emission is capable of altering the fundamental structure of the sheath region, significantly changing the expected particle fluxes to the wall. The emission spectrum is separated into two major energy regimes, a peak of elastically backscattered primary electrons at the incoming energy, and cold secondary electrons inelastically emitted directly from the material. The ability of continuum kinetic simulations to accurately represent the secondary electron emission is limited by relevant models being formulated in terms of monoenergetic particle interactions which cannot be applied directly to the discrete distribution function. As a result, rigorous implementation of energy-dependent physics is often neglected in favor of simplified, constant models. We present here a novel implementation of semi-empirical models in the boundary of continuum kinetic simulations which allows the full range of this emission to be accurately captured in physically-relevant regimes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Code-Agnostic Driver Application for Coupled Neutronics and Thermal-Hydraulic Simulations

While the literature has numerous examples of Monte Carlo and computational fluid dynamics (CFD) coupling, most are hard-wired codes intended primarily for research rather than as standalone, general-purpose applications. In this work, we describe an open source application, ENRICO, that enables coupled neutronic and thermal-hydraulic simulations between multiple codes that can be chosen at runtime (as opposed to a coupling between two specific codes). The application has been designed such that the control flow logic, domain mapping, nonlinear fixed-point iteration, solution transfers, and convergence checks are all agnostic to the underlying physics solvers used. Special emphasis has also been placed on enabling efficient execution on distributed-memory computing environments. The transfer of solution fields between solvers is performed in memory rather than through filesystem I/O. Additionally, solvers can be configured to run on overlapping or disjoint sets of processes. To date, coupling with the OpenMC and Shift Monte Carlo codes, the Nek5000 CFD code, and a simplified heat diffusion and subchannel solver has been implemented in ENRICO. We present results for coupled simulations of a single light-water reactor fuel assembly based on the NuScale reactor using various combinations of the physics solvers. For this problem, the coupled simulations are shown to converge in about four Picard iterations. A comparison of the heat source and temperature distributions computed by ENRICO using OpenMC coupled with Nek5000 and Shift coupled with Nek5000 illustrates remarkable agreement between the codes.

42 ENGINEERING↗

Integrating Analytical Solutions and U-Net Model for Predicting Groundwater Contaminant Plumes in Pump-and-Treat Systems

Pump-and-treat (P&T) is a common technique for groundwater remediation involving the extraction and treatment of contaminated water above ground. Optimizing the design and operation of the P&T well network is essential for maximizing the system’s effectiveness and efficiency. However, this optimization often necessitates many model evaluations, leading to computationally demanding tasks. This study introduces a novel approach that integrates analytical solutions for groundwater dynamics with the U-Net (Ronneberger et al., 2015) deep learning framework to predict groundwater contaminant plume migration under dynamic pumping conditions. By incorporating the Thiem equation (Thiem, 1906) into the input preprocessing, the U-Net model transforms sparse well data into a continuous spatial field that captures the hydraulic impacts of pumping activities. This integration enables the model to leverage both deep learning capabilities and classical physics-based groundwater theories, enhancing prediction accuracy and computational efficiency. These advancements can facilitate rapid, large-scale evaluations of P&T optimization simulations, allowing for timely and effective decision-making in well placement and system management. We demonstrate the model's robust performance across both simplified transient 2D models and a more complex 3D heterogeneous site model at the 200 West P&T facility at the Hanford Site. The U-Net-based model offers substantial computational advantages, reducing simulation times significantly compared to full physics-based models and providing a powerful tool for rapid site evaluation and P&T system optimization, such as evaluating alternative P&T well network designs. Our findings highlight the potential of advanced machine learning models to significantly enhance the efficiency and sustainability of groundwater remediation efforts, offering a novel application of U-Net architecture in environmental science.

Pump-and-treat↗

Simplified Performance Rating Method - Review of Existing Tools, Rulesets, and Programs. Literature and technical review

The Performance Rating Method (PRM) in ASHRAE Standard 90.1 (ASHRAE 2016) is a simulation ruleset for establishing minimum code compliance and for rating a building’s beyond-code applications. Building energy modeling (BEM) to comply with the PRM is often expensive and time consuming due to the complexity of code requirements. The goal of this project is to develop and codify a simplified PRM (S-PRM) approach for commercial buildings that will expand the use of BEM for small or simple buildings by defining a low-cost, simplified approach for creating robust and detailed models. This report summarizes a review of (i) the more commonly used existing codes, (ii) incentive programs, and (iii) the existing simplified energy modeling tools to identify which requirements are good candidates for simplification.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Virtual Tokamak for Test and Development of Plasma Control Applied to NSTX-U

Safe and efficient operation of tokamak experiments depends on shot preparation prior to the experiment to maximize performance and avoid issues that are predictable consequences of known physics. The General Atomics TokSys toolbox is used to test and develop the plasma control system (PCS) on numerous tokamaks around the world. Tokamaks that use a version of the DIII-D PCS can connect it to a TokSys simulation and control a virtual version of the tokamak with the real PCS. Recent upgrades to the simulation include more detailed profile and transport modeling to support design and implementation of optimized scenarios. The simulation combines a module called “Profiles” that simulates the 1D profiles of density, pressure, and current and a module called “GSevolve'' that evolves the 2D Grad-Shafranov equilibrium. The “Profiles'' module primarily uses simplified models for fueling, heating, and current. The TRANSP code provides precomputed diffusion coefficients and heating/current drive profiles from radio-frequency and neutral beam sources for the scenarios being simulated. The fidelity of a simulation can be enhanced by analyzing it with TRANSP and making corrections to the precomputed values and iterating until convergence. Simulations of the National Spherical Torus Upgrade (NSTX-U) are presented. It is shown that the simulation reproduces the experimental profile evolution. Here, the simulation has also been upgraded to reproduce the experimental outcome at points of bifurcation. This is demonstrated with a simulation of vertical displacement in NSTX-U.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Simulating Marine Ecosystem Dynamics and Biogeochemical Cycling With Multiple Plankton Functional Types

Current representations of marine ecosystems in Earth System Models are greatly simplified, neglecting key interactions between dynamic food webs, biogeochemistry, and climate change. We use the Marine Biogeochemistry Library code base within the Community Earth System Model 2.2.2 to create an expanded ecosystem model with eight phytoplankton groups and four zooplankton size classes (MARBL-8P4Z). Incorporating more specific plankton types and size classes has the potential to capture a wider range of possible behaviors of the ecosystem, its complex interactions with biogeochemistry, and its feedback to climate change. It also permits stronger observational constraints, including in situ group-specific biomass and various observational estimates of plankton community composition. MARBL-8P4Z broadly captures observed global-scale patterns in biomass and community composition for both phytoplankton and zooplankton, with a good performance in simulating broad biogeochemistry fields. The model shows comparable spatial patterns and magnitudes to the observed picophytoplankton biomass (Prochlorococcus, Synechococcus, picoeukaryotes), and captures the seasonal cycle of mesozooplankton biomass. Picophytoplankton groups and microzooplankton dominate biomass and production in oligotrophic, subtropical regions, while nano-phytoplankton, diatoms and the larger zooplankton groups prevail at higher latitudes and within upwelling zones. The model simulates reasonable energy transfer efficiency through the food web, with tight linkages between the phytoplankton community composition, zooplankton grazing, and carbon export, with the potential to link to fisheries models. Thus, MARBL-8P4Z has the potential to account for key climate-driven ecological shifts in the plankton that will modify ocean biogeochemistry in the future.

54 ENVIRONMENTAL SCIENCES↗

Development of a conduction-based model for analyzing frozen startup of alkali-metal heat pipes

One key area of interest in heat pipe modeling/simulation is to analyze the startup behavior of the liquid-metal heat pipes (LMHPs) from a frozen state. This so-called ‘frozen startup’ process involves a complex set of nonlinear mass and heat transport phenomena, including phase transitions from solid to liquid and vapor, multiphase interactions, microporous wick flow, and compressible vapor dynamics. The complexity of these processes makes it challenging to simulate LMHP’s frozen startup using conventional numerical methods or commercial computational fluid dynamics (CFD) software. This paper presents a simplified conduction-based modeling approach that can provide practical insights into the entire LMHP frozen startup process, while alleviating the challenges of modeling its complex physics. The theoretical foundation and physical assumptions of the proposed model are based solely on heat-conduction equation, allowing for a more tractable simulation without sacrificing essential physical accuracy. The proposed model was implemented in a commercial CFD software, and its prediction was compared with the experimental data obtained from sodium heat-pipe startup experiments. The comparison highlights the proposed model's ability to capture the transient thermal behavior of LMHP during frozen startup. This study not only validates the conduction-based frozen startup modeling method but also shows its potential as a practical and efficient tool for understanding the startup performance of the LMHP systems.

Microreactor↗

Computational Framework for Machine-Learning-Enabled 13 C Fluxomics

13 C metabolic flux analysis (MFA) has emerged as a powerful tool for synthetic biology. This optimization-based approach suffers long computation time and unstable solutions depending on the initial guess. Here, we develop a machine-learning-based framework for 13 C fluxomics. Specifically, training and test data sets are generated by metabolic network decomposition and flux sampling, in which flux ratios at metabolic nodes and simulated labeling patterns of metabolites are used as training targets and features, respectively. To improve prediction accuracy and simplify the model, automated processes are developed for flux ratio selection based on solvability and feature screening based on importance. We found that predictive performance can be significantly improved using both amino acids and central carbon metabolites in comparison with amino acids alone. Together with measured external fluxes, the predicted flux ratios determine the mass balance system, yielding global flux distributions. This approach is validated by flux estimation using both simulated and experimental data in comparison with canonical 13 C MFA. The approach represents a reliable fluxomics method readily applicable to high-throughput metabolic phenotyping, which highlights the advances of intelligent learning algorithms in synthetic biology, specifically in the Test and Learn stage of the Design-Build-Test-Learn cycle.

13C metabolic flux analysis↗

An efficient explicit implementation of a near-optimal quantum algorithm for simulating linear dissipative differential equations

We propose an efficient block-encoding technique for the implementation of the Linear Combination of Hamiltonian Simulations (LCHS) for simulating dissipative initial-value problems. This algorithm approximates a target nonunitary operator as a weighted sum of Hamiltonian evolutions, thereby emulating a dissipative problem by mixing various time scales. We introduce an efficient encoding of the LCHS into a quantum circuit based on a simple coordinate transformation that turns the dependence on the summation index into a trigonometric function. Classically, this method is equivalent to the use of a highly accurate Fejér-Clenshaw-Curtis quadrature formula. Quantumly, this significantly simplifies block-encoding of a dissipative problem and allows one to perform an exponential number of Hamiltonian simulations by a single Quantum Signal Processing (QSP) circuit. The resulting LCHS circuit has high success probability and the selector scales logarithmically with the number of terms in the LCHS sum and linearly with time. Careful analysis of error convergence proves that this method is more efficient than other LCHS circuits that have recently appeared in the literature. We verify the quantum circuit and its scaling by simulating it on a digital emulator of fault-tolerant quantum computers and, as a test problem, solve the advection-diffusion equation. The proposed algorithm can be used for simulating a wide class of nonunitary initial-value problems including the Liouville equation with added dissipation and linear embeddings of nonlinear systems, such as the Koopman-von Neumann and Carleman embeddings.

Novikau, I [Lawrence Livermore National Laboratory↗

An additively-manufactured molten salt-to-supercritical carbon di-oxide primary heat exchanger for solar thermal power generation – Design and techno-economic performance

The design and techno-economic performance of a compact additively manufactured (AM) molten salt (MS)-to-supercritical carbon di-oxide (sCO2) primary heat exchanger (PHE) for solar thermal application is described. The PHE design consists of sCO2 flow through an array of microscale pin fins while the MS flows through mm-scale rectangular channels. Constraints imposed by AM using laser powder bed fusion method are considered in the design. Structural and fluid flow simulations are performed to arrive at a viable design of the core and headers. A simplified one-dimensional steady state model for the PHE is developed including the impact of surface roughness from the AM process. A process-based cost model is used to determine the tradeoff between thermofluidic design and manufacturing cost. A parametric study is performed using the thermo-fluidic and cost models to determine the set of geometrical and flow variables that result in high power density and low cost, while restricting the pressure drop on the sCO2 side to less than 2% of line pressure. Flow rates of MS and sCO2 were varied over heat capacity rate ratios ranging from 0.2 to 1. Results indicate that it is possible to design a low-pressure drop AM PHE with an effectiveness of 90% and a power density in excess of 10 MW/m3 (including headers). Fabrication of representative nickel superalloy specimens are shown to demonstrate that low-porosity parts with the requisite dimensional tolerance of PHE core can be generated.

14 SOLAR ENERGY↗

Finding middle ground: Flow regimes designed for salmon and energy value

In regulated rivers, shaping seasonal flows to recover species at risk depends on understanding when to expect conflicts with competing water users and when their interests are aligned. Multi-objective optimization can be used to reveal such conflicts and commonalities. When species are involved, multi-objective optimization is challenged by the need to simulate complex species responses to flow regimes. Previously, we addressed that challenge by developing a simplified salmon model (Quantus) that defines cohorts of salmon by the river section and time in which they were spawned. Salmon in these space-time cohorts are tracked from the time redds (nests) are constructed until the cohort exits the tributary en route to the ocean. In this study, we modeled seasonal patterns in energy value and developed a Pareto-optimal frontier of seasonal flow patterns to maximize in-river salmon survival and hydropower value. Candidate flow regimes were characterized by two pulse flows varying in magnitude, timing, and duration and constrained by a total annual flow near the historical median. Our analysis revealed times when economic and salmon objectives were aligned and times when they differed. Pulse flows that favored higher energy value were timed to meet demand during extreme temperatures. Both salmon and hydropower objectives produced optimal flow regimes with pulse flows in early summer, but only solutions favoring hydropower value included high flows in mid-winter. Solutions favoring higher age-0 salmon survival provided an extended pulse flow in late winter/early spring, which suggests that access to productive floodplain habitat allowed faster growth and earlier out-migration and reduced the need for higher temperature-moderating flows later in spring. Minimum flows were also higher among solutions favoring salmon over energy. The tools used to produce these results can help to design simplified seasonal flow regimes by revealing compromise solutions that satisfy both fish and energy producers and highlighting when potential conflicts are likely.

54 ENVIRONMENTAL SCIENCES↗

Structure–Thermodynamic Relationship of a Polysaccharide Gel (Alginate) as a Function of Water Content and Counterion Type (Na vs Ca)

Biofilms are the predominant mode of microbial life on Earth, and so a deep understanding of microbial communities-and their impacts on environmental processes-requires a firm understanding of biofilm properties. Because of the importance of biofilms to their microbial inhabitants, microbes have evolved different ways of engineering and reconfiguring the matrix of extracellular polymeric substances (EPS) that constitute the main non-living component of biofilms. This ability makes it difficult to distinguish between the biotic and abiotic origins of biofilm properties. An important route toward establishing this distinction has been the study of simplified models of the EPS matrix. This study builds on such efforts by using atomistic simulations to predict the nanoscale (≤10 nm scale) structure of a model EPS matrix and the sensitivity of this structure to interpolymer interactions and water content. To accomplish this, we use replica exchange molecular dynamics (REMD) simulations to generate all-atom configurations of ten 3.4 kDa alginate polymers at a range of water contents and Ca–Na ratios. Simulated systems are solvated with explicitly modeled water molecules, which allows us to capture the discrete structure of the hydrating water and to examine the thermodynamic stability of water in the gels as they are progressively dehydrated. Our primary findings are that (i) the structure of the hydrogels is highly sensitive to the identity of the charge-compensating cations, (ii) the thermodynamics of water within the gels (specific enthalpy and free energy) are, surprisingly, only weakly sensitive to cation identity, and (iii) predictions of the differential enthalpy and free energy of hydration include a short-ranged enthalpic term that promotes hydration and a longer-ranged (presumably entropic) term that promotes dehydration, where short and long ranges refer to distances shorter or longer than ~0.6 nm between alginate strands.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High Performance, High Fidelity: A GPU‐Accelerated Doubly‐Periodic Configuration of the Simple Cloud‐Resolving E3SM Atmosphere Model Version 1 (DP‐SCREAMv1)

The development of the Simplified Cloud Resolving Energy Exascale Earth System Atmosphere Model (SCREAMv1) enables global storm-resolving simulations on modern GPU-based supercomputers. However, the high computational cost of SCREAMv1 limits its routine use for process-level studies, creating a need for efficient proxy configurations. This study addresses this gap by introducing DP-SCREAMv1, a doubly periodic cloud-resolving model designed to be fully consistent with SCREAMv1 while enabling high-resolution, long-duration simulations at significantly reduced computational expense by simulating a limited doubly periodic domain rather than the entire globe. Built on a C++/Kokkos architecture, DP-SCREAMv1 achieves exceptional performance scalability on GPU systems and includes a rich library of cases for validation and scientific exploration. In this work, we demonstrate short wall-clock times at SCREAMv1's default resolution and show that DP-SCREAMv1 supports routine execution of large-domain, high-resolution experiments that were previously challenging in practice. Furthermore, we show that DP-SCREAMv1 enables routine execution of “Giga-LES” style simulations and facilitates large-domain, high-resolution simulations that were recently considered burdensome to perform. These results document an efficient, fully consistent process-level configuration for SCREAMv1 (DP-SCREAMv1) and illustrate its use for long-duration and large-domain experiments at cloud-resolving to eddy-permitting resolution.

Environmental sciences↗

Characteristics of Vertical Ground Motions and Their Effect on the Seismic Response of Bridges in the Near-Field: A State-of-the-Art Review

Despite the evidence from past earthquakes and several numerical investigations demonstrating the detrimental impact of vertical ground motions (VGMs) on the integrity of bridge structures, incorporating their effects into seismic assessment and design procedures has traditionally been given limited consideration. Current codes utilize rather simplistic approaches to account for the concurrent effects of vertical and horizontal motions in structural performance evaluations, potentially leading to unconservative estimates of structural demands. This paper reviews the main features of VGMs and their effect on the seismic response of bridges. The methods and empirical models available to estimate vertical motions for design purposes are discussed, and research gaps and related research needs are identified. Finally, the emerging role of physics-based ground-motion simulations, as well as their limitations, in supporting future research and informing the development of simplified design procedures is examined. The main areas of interest for future research are identified in the need to carry out systematic sensitivity studies to gain insight into the main earthquake parameters that influence key VGMs features, understand the influence of soil nonlinearities on VGMs amplitude and frequency content, inform the development of empirical models that cover a range of site conditions and source-to-site distances where current models are poorly constrained, generate arrays of motions to update coherency models to properly inform the analysis of distributed infrastructure, investigate the impulsive character of VGMs, and assess the approximations made in estimating VGMs with 1D site response analyses. Furthermore, specific focus is laid on large-magnitude earthquakes in the near-field.

Asynchronous ground motion↗