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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Reference Model 1 Full Scale Geometry (RM1: Tidal Current Turbine)

Contains the Reference Model 1 (RM1) full scale geometry files of the Tidal Current Turbine, developed by the Reference Model Project (RMP). These full scale geometry files are saved as SolidWorks assembly, X_T, IGS, and STEP files, and require a CAD program to view. This data was generated upon completion of the project on September 30, 2014. The Reference Model Project (RMP), sponsored by the U.S. Department of Energy (DOE), was a partnered effort to develop open-source MHK point designs as reference models (RMs) to benchmark MHK technology performance and costs, and an open-source methodology for design and analysis of MHK technologies, including models for estimating their capital costs, operational costs, and levelized costs of energy. The point designs also served as open-source test articles for university researchers and commercial technology developers. The RMP project team, led by Sandia National Laboratories (SNL), included a partnership between DOE, three national laboratories, including the National Renewable Energy Laboratory (NREL), Pacific Northwest National Laboratory (PNNL), and Oak Ridge National Laboratory (ORNL), the Applied Research Laboratory of Penn State University, and Re Vision Consulting. Reference Model 1 (RM1) is a dual variable-speed variable-pitch (VSVP) axial-flow tidal turbine device, designed for the Tacoma Narrows tidal current energy resource site in Puget Sound, Washington. RM1 comprises a monopile foundation and a crossarm assembly to mount the two rotors. The cross-arm assembly is nearly neutrally buoyant so the attached rotors can be recovered and redeployed with a minimal amount of lifting crane capacity; therefore, the design minimizes the handling requirements during deployment and recovery, which reduces overall cost in all O&M activities including access to the power conversion chain (PCC).

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

Keratin Promotes Differentiation of Keratinocytes Seeded on Collagen/Keratin Hydrogels

Keratinocytes undergo a complex process of differentiation to form the stratified stratum corneum layer of the skin. In most biomimetic skin models, a 3D hydrogel fabricated out of collagen type I is used to mimic human skin. However, native skin also contains keratin, which makes up 90% of the epidermis and is produced by the keratinocytes present. We hypothesized that the addition of keratin (KTN) in our collagen hydrogel may aid in the process of keratinocyte differentiation compared to a pure collagen hydrogel. Keratinocytes were seeded on top of a 100% collagen or 50/50 C/KTN hydrogel cultured in either calcium-free (Ca-free) or calcium+ (Ca+) media. Our study demonstrates that the addition of keratin and calcium in the media increased lysosomal activity by measuring the glucocerebrosidase (GBA) activity and lysosomal distribution length, an indication of greater keratinocyte differentiation. We also found that the presence of KTN in the hydrogel also increased the expression of involucrin, a differentiation marker, compared to a pure collagen hydrogel. We demonstrate that a combination (i.e., containing both collagen and kerateine or “C/KTN”) hydrogel was able to increase keratinocyte differentiation compared to a pure collagen hydrogel, and the addition of calcium further increased the differentiation of keratinocytes. This multi-protein hydrogel shows promise in future models or treatments to increase keratinocyte differentiation into the stratum corneum.

Zuniga, Kameel (ORCID:0000000196674007)↗
DOE OSTI2018

Development of 3-D Geological Model of Tuscarora Sandstone for Feasibility of Deep Direct-Use Geothermal at West Virginia University’s Main Campus

The Morgantown campus of West Virginia University (WVU) is uniquely positioned to host the first geothermal deep direct-use district heating system in the eastern United States. While much of the eastern United States is not blessed with extremely high heat flow and elevated temperatures, the northeastern part of West Virginia is unique in having a basin that is expected to support the achievable flowrate of geofluid through target formations, with sufficient temperatures at depth. These two factors were identified in the 2006 MIT Future of Geothermal Energy Report to be the two most critical factors in minimizing cost of geothermal energy. Our overall project objective is to determine the feasibility of designing a Geothermal District Heating and Cooling (GDHC) system for the West Virginia University campus utilizing Geothermal Deep Direct-Use (DDU) by 1) minimization of the uncertainty and risk associated with developing the geothermal resource for use on campus at WVU and 2) completion of an optimized design for the geothermal system, minimizing the delivered Levelized Cost of Heat (LCOH). Our first goal, to minimize the risk of project development, will be achieved by decreasing the uncertainty in both the subsurface geothermal system as well the surface distribution system. The subsurface uncertainty is dominated by the uncertainty in the projections of geofluid flowrate in the target formation, the Tuscarora Sandstone. In this paper, three cores from the heterogeneous reservoir, available through West Virginia Geologic and Economic Survey, are analyzed by performing core analysis using CT scanning and permeability measurements via minipermeameter. Additional geological data are collected through cores, published literature, seismic data, and nearby, existing wells to estimate thickness, fracture network configuration and geothermal gradient to minimize the uncertainty of well deliverability. Using these estimated reservoir properties; a 3D conceptual model for the proposed geothermal site is developed.

15 GEOTHERMAL ENERGY↗
DOE OSTI2014

Reference Model 6 Full Scale Geometry (RM6: Oscillating Water Column)

Contains the Reference Model 6 (RM6) full scale geometry files of the Oscillating Water Column, developed by the Reference Model Project (RMP). These full scale geometry files are saved as SolidWorks assembly, IGS, and STEP files, and require a CAD program to view. This data was generated upon completion of the project on September 30, 2014. The Reference Model Project (RMP), sponsored by the U.S. Department of Energy (DOE), was a partnered effort to develop open-source MHK point designs as reference models (RMs) to benchmark MHK technology performance and costs, and an open-source methodology for design and analysis of MHK technologies, including models for estimating their capital costs, operational costs, and levelized costs of energy. The point designs also served as open-source test articles for university researchers and commercial technology developers. The RMP project team, led by Sandia National Laboratories (SNL), included a partnership between DOE, three national laboratories, including the National Renewable Energy Laboratory (NREL), Pacific Northwest National Laboratory (PNNL), and Oak Ridge National Laboratory (ORNL), the Applied Research Laboratory of Penn State University, and Re Vision Consulting. Reference Model 6 (RM6) is a Backward Bent Duct Buoy (BBDB), which is a type of oscillating water column wave energy converter. First proposed by Masuda, the BBDB design is a floating Oscillating Water Column (OWC) device that consists of an air chamber, an L-shaped duct, bow and stern buoyancy modules, and a power take-off (PTO) composed of a Wells air turbine and a generator. This L- shaped device opens to the ocean downstream from the wave propagation direction. Power is produced by the motion of the wave, which causes the ambient pressure in the air chamber to vary thereby forcing air to flow through the Wells turbine. The reference wave energy resource for RM6 was developed from site information collected near Eureka, in Humboldt County, California.

16 TIDAL AND WAVE POWER↗
DOE OSTI2014

Evaluation of Cloud-resolving and Limited Area Model Intercomparison Simulations using TWP-ICE Observations. Part 1: Deep Convective Updraft Properties

Ten 3D cloud-resolving model (CRM) simulations and four 3D limited area model (LAM) simulations of an intense mesoscale convective system observed on January 23-24, 2006 during the Tropical Warm Pool – International Cloud Experiment (TWP-ICE) are compared with each other and with observed radar reflectivity fields and dual-Doppler retrievals of vertical wind speeds in an attempt to explain published results showing a high bias in simulated convective radar reflectivity aloft. This high bias results from ice water content being large, which is a product of large, strong convective updrafts, although hydrometeor size distribution assumptions modulate the size of this bias. Snow reflectivity can exceed 40 dBZ in a two-moment scheme when a constant bulk density of 100 kg m-3 is used. Making snow mass more realistically proportional to area rather than volume should somewhat alleviate this problem. Graupel, unlike snow, produces high biased reflectivity in all simulations. This is associated with large amounts of liquid water above the freezing level in updraft cores. Peak vertical velocities in deep convective updrafts are greater than dual-Doppler retrieved values, especially in the upper troposphere. Freezing of large rainwater contents lofted above the freezing level in simulated updraft cores greatly contributes to these excessive upper tropospheric vertical velocities. Strong simulated updraft cores are nearly undiluted, with some showing supercell characteristics. Decreasing horizontal grid spacing from 900 meters to 100 meters weakens strong updrafts, but not enough to match observational retrievals. Therefore, overly intense simulated updrafts may partly be a product of interactions between convective dynamics, parameterized microphysics, and large-scale environmental biases that promote different convective modes and strengths than observed.

clould-resolving↗
DOE OSTI2014

Reference Model 3 Full Scale Geometry (RM3: Wave Point Absorber)

Contains the Reference Model 3 (RM3) full scale geometry files of the Wave Point Absorber, developed by the Reference Model Project (RMP). These full scale geometry files are saved as SolidWorks assembly, IGS, and STEP files, and require a CAD program to view. This data was generated upon completion of the project on September 30, 2014. The Reference Model Project (RMP), sponsored by the U.S. Department of Energy (DOE), was a partnered effort to develop open-source MHK point designs as reference models (RMs) to benchmark MHK technology performance and costs, and an open-source methodology for design and analysis of MHK technologies, including models for estimating their capital costs, operational costs, and levelized costs of energy. The point designs also served as open-source test articles for university researchers and commercial technology developers. The RMP project team, led by Sandia National Laboratories (SNL), included a partnership between DOE, three national laboratories, including the National Renewable Energy Laboratory (NREL), Pacific Northwest National Laboratory (PNNL), and Oak Ridge National Laboratory (ORNL), the Applied Research Laboratory of Penn State University, and Re Vision Consulting. Reference Model 3 (RM3) is a wave point absorber, also referred to as a wave power buoy, that was designed for a reference site located off the shore of Eureka in Humboldt County, California. The design of the device consists of a surface float that translates (oscillates) with wave motion relative to a vertical column spar buoy, which connects to a subsurface reaction plate. This two-body point absorber converts wave energy into electrical power predominately from the device's heave oscillation induced by incident waves; the float is designed to oscillate up and down the vertical shaft up to 4 m. The bottom of the reaction plate is about 35 m below the water surface. The device is targeted for deployment in water depths of 40 m to 100 m. The point absorber is also connected to a mooring system to keep the floating device in position.

16 TIDAL AND WAVE POWER↗
DOE OSTI2014

Reference Model 3 Scaled Geometry (RM3: Wave Point Absorber)

Contains the Reference Model 3 (RM3) scaled scale geometry files of the Wave Point Absorber, developed by the Reference Model Project (RMP). These scaled geometry files are saved as SolidWorks assembly, IGS, and STEP files, and require a CAD program to view. The scaled RM3 device was tested at the Scripps Institution of Oceanography at the University of California at San Diego wave tank, details of which are described in the included test report. The scale of the geometries included in this submission are at a 1:33 scale compared to the full scale geometry. This data was generated upon completion of the project on September 30, 2014. The Reference Model Project (RMP), sponsored by the U.S. Department of Energy (DOE), was a partnered effort to develop open-source MHK point designs as reference models (RMs) to benchmark MHK technology performance and costs, and an open-source methodology for design and analysis of MHK technologies, including models for estimating their capital costs, operational costs, and levelized costs of energy. The point designs also served as open-source test articles for university researchers and commercial technology developers. The RMP project team, led by Sandia National Laboratories (SNL), included a partnership between DOE, three national laboratories, including the National Renewable Energy Laboratory (NREL), Pacific Northwest National Laboratory (PNNL), and Oak Ridge National Laboratory (ORNL), the Applied Research Laboratory of Penn State University, and Re Vision Consulting. Reference Model 3 (RM3) is a wave point absorber, also referred to as a wave power buoy, that was designed for a reference site located off the shore of Eureka in Humboldt County, California. The design of the device consists of a surface float that translates (oscillates) with wave motion relative to a vertical column spar buoy, which connects to a subsurface reaction plate. This two-body point absorber converts wave energy into electrical power predominately from the device?s heave oscillation induced by incident waves; the float is designed to oscillate up and down the vertical shaft up to 4 m. The bottom of the reaction plate is about 35 m below the water surface. The device is targeted for deployment in water depths of 40 m to 100 m. The point absorber is also connected to a mooring system to keep the floating device in position.

16 TIDAL AND WAVE POWER↗
DOE OSTI2014

Reference Model 4 Full Scale Geometry (RM4: Ocean Current Turbine)

Contains the Reference Model 4 (RM4) full scale geometry files of the Ocean Current Turbine, developed by the Reference Model Project (RMP). These full scale geometry files are saved as SolidWorks assembly, IGS, X_T, and STEP files, and require a CAD program to view. This data was generated upon completion of the project on September 30, 2014. The Reference Model Project (RMP), sponsored by the U.S. Department of Energy (DOE), was a partnered effort to develop open-source MHK point designs as reference models (RMs) to benchmark MHK technology performance and costs, and an open-source methodology for design and analysis of MHK technologies, including models for estimating their capital costs, operational costs, and levelized costs of energy. The point designs also served as open-source test articles for university researchers and commercial technology developers. The RMP project team, led by Sandia National Laboratories (SNL), included a partnership between DOE, three national laboratories, including the National Renewable Energy Laboratory (NREL), Pacific Northwest National Laboratory (PNNL), and Oak Ridge National Laboratory (ORNL), the Applied Research Laboratory of Penn State University, and Re Vision Consulting. Reference Model 4 (RM4) is a "flying-wing" ocean current turbine concept intended for deployment in the Gulf Stream off the southeast coast of Florida. The RM4 device has four rotors, with a rotorless center nacelle housing the power electronics, attached on a straight wing 120 m long. The device is designed to be submerged ~50 m below the surface and is moored to the seabed. The RM4 uses buoyancy within the wing and the five nacelles to maintain its position in the water column. Each rotor has a diameter of 33 m and has a 1-MW power rating, yielding a total device rated power of 4 MW. The rotors on the left and right side of the wing rotate in opposite directions in order to balance the torque applied to the device. The rotorless center nacelle housing the power electronics serves to condition the power generated by the rotors before it is delivered to the grid.

16 TIDAL AND WAVE POWER↗
DOE OSTI2014

Reference Model 5 Full Scale Geometry (RM5: Oscillating Surge Flap)

Contains the Reference Model 5 (RM5) full scale geometry files of the Oscillating Surge Flap, developed by the Reference Model Project (RMP). These full scale geometry files are saved as SolidWorks assembly, IGS, and STEP files, and require a CAD program to view. This data was generated upon completion of the project on September 30, 2014. The Reference Model Project (RMP), sponsored by the U.S. Department of Energy (DOE), was a partnered effort to develop open-source MHK point designs as reference models (RMs) to benchmark MHK technology performance and costs, and an open-source methodology for design and analysis of MHK technologies, including models for estimating their capital costs, operational costs, and levelized costs of energy. The point designs also served as open-source test articles for university researchers and commercial technology developers. The RMP project team, led by Sandia National Laboratories (SNL), included a partnership between DOE, three national laboratories, including the National Renewable Energy Laboratory (NREL), Pacific Northwest National Laboratory (PNNL), and Oak Ridge National Laboratory (ORNL), the Applied Research Laboratory of Penn State University, and Re Vision Consulting. Reference Model 5 (RM5) is a type of floating, oscillating surge wave energy converter (OSWEC) that utilizes the surge motion of waves to generate electrical power. The reference wave energy resource for RM5 was measurement data from a National Data Buoy Center (NDBC) buoy near Eureka, in Humboldt County, California. The flap was designed to rotate against the supporting frame to convert wave energy into electrical power from the relative rotational motion induced by incoming waves. The RM5 design is rated at 360 kilowatts (kW), uses a flap of 25 m in width and 19 m in height (16 m in draft), and the distance from the top of the water surface piercing flap to the mean water surface (freeboard) is 1.5 m. The flap is connected to a shaft with a 3-m diameter that rotates against the supporting frame. The supporting frame is assumed to have an outer diameter of 2 m, and the total length of the device structure is 45 m. The RM5 OSWEC was designed for deep-water deployment, at depths between 50 m and 100 m, and was tension-moored to the seabed.

16 TIDAL AND WAVE POWER↗
DOE OSTI2013

Phase II Nevada Water Resources Data, Modeling, and Visualization (DMV) Center (Final Report)

Water is unquestionably a critical resource throughout the United States. In the semi-arid west -- an area stressed by increase in human population and sprawl of the built environment -- water is the most important limiting resource. Crucially, science must understand factors that affect availability and distribution of water. To sustain growing consumptive demand, science needs to translate understanding into reliable and robust predictions of availability under weather conditions that could be average but might be extreme. These predictions are needed to support current and long-term planning. Similar to the role of weather forecast and climate prediction, water prediction over short and long temporal scales can contribute to resource strategy, governmental policy and municipal infrastructure decisions, which are arguably tied to the natural variability and unnatural change to climate. Change in seasonal and annual temperature, precipitation, snowmelt, and runoff affect the distribution of water over large temporal and spatial scales, which impact the risk of flooding and the groundwater recharge. Anthropogenic influences and impacts increase the complexity and urgency of the challenge. The goal of this project has been to develop a decision support framework of data acquisition, digital modeling, and 3D visualization. This integrated framework consists of tools for compiling, discovering and projecting our understanding of processes that control the availability and distribution of water. The framework is intended to support the analysis of the complex interactions between processes that affect water supply, from controlled availability to either scarcity or deluge. The developed framework enables DRI to promote excellence in water resource management, particularly within the Lake Tahoe basin. In principle, this framework could be replicated for other watersheds throughout the United States. Phase II of this project builds upon the research conducted during Phase I, in which the hydrologic framework was investigated and the development initiated. Phase II concentrates on practical implementation of the earlier work but emphasizes applications to the hydrology of the Lake Tahoe basin. Phase 1 efforts have been refined and extended by creating a toolset for geographic information systems (GIS) that is usable for disparate types of geospatial and geo-referenced data. The toolset is intended to serve multiple users for a variety of applications. The web portal for internet access to hydrologic and remotely sensed product data, prototyped in Phase I, has been significantly enhanced. The portal provides high performance access to LANDSAT-derived data using techniques developed during the course of the project. The portal is interactive, and supports the geo-referenced display of hydrologic information derived from remotely sensed data, such as various vegetative indices used to calculate water consumption. The platform can serve both internal and external constituencies using inter-operating infrastructure that spans both sides of the DRI firewall. The platform is intended grow its supported data assets and to serve as a template for replication to other geographic areas. An unanticipated development during the project was the use of ArcGIS software on a new computer system, called the IBM PureSytems, and the parallel use of the systems for faster, more efficient image processing. Additional data, independent of the portal, was collected within the Sagehen basin and provides detailed information regarding the processes that control hydrologic responses within mountain watersheds. The newly collected data include elevation, evapotranspiration, energy balance and remotely sensed snow-pack data. A Lake Tahoe basin hydrologic model has been developed, in part to help predict the hydrologic impacts of climate change. The model couples both the surface and subsurface hydrology, with the two components having been independently calibrated. Results from the coupled simulations involving both surface water and groundwater processes show that it is possible to fairly accurately simulate lake effects and water budget variables over a wide range of dry and wet cycles in the historical record. The Lake Tahoe basin is representative of the hydrology, topography and climate throughout the Sierra Nevada Range, and the entire model development is prototypical of the efforts required to replicate the decision support framework to other locales. The Lake Tahoe model in particular, could allow water managers to evaluate more accurately components of the water budget (ET, runoff, groundwater, etc) and to answer important questions regarding water resources in northern Nevada. This report discusses the geographic scale and the hydrologic complexity of the calibrated model developed as part of this project, as well as simulation results for historical and future climate projects To enable human-driven data exploration and discovery, de novo software for a globalized rendering module that extends the capability of our evolving custom visualization engine from Phase I (called SMEngine) has been developed. The new rendering component, called Horizon, supports terrain rendering capable of displaying and interrogating both remotely sensed and modeled data. The development of Horizon necessitated adaptation of the visualization engine to allow extensible integration of components such as the global rendering module and support for associated features. The resulting software is general in its GIS capability, but a specific Lake Tahoe visualization application suitable for immersive decision support in the DRIVE6 virtual reality facility has been developed. During the development, various features to enhance the value of the visualization experience were explored, including the use of hyperspectral image overlays. An over-arching goal of the visualization aspect of the project has been to develop and demonstrate the CAVE (CAVE Automatic Virtual Environment) as a practical tool for hydrologic research.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Phase Field Modeling of Crystallographic Corrosion Pits

The modeling of corrosion to understand and predict corrosion behavior is a topical issue. Here, a 3D phase field model is developed to simulate the pit morphology, primarily focusing on crystallographic pits. A crystallographic function is employed to incorporate different corrosion rates for different crystallographic planes. The model is benchmarked and validated against an analytical solution for a simple case. 3D crystallographic pits in a single crystal are simulated and the effect of substrate orientation on the pit morphology is studied. The crystallographic pit morphology changes significantly with the substrate orientation and these morphologies have a symmetry consistent with the substrate orientation. This first 3D phase field model of crystallographic pits will help in predicting the intricate shapes of pits, thereby, pushing the frontiers of pitting corrosion modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Full wave modeling of radio-frequency beams in tokamaks in the electron cyclotron frequency range

Simulation of full wave, without paraxial approximation, high-resolution solution of wave equations in frequency domain in the electron cyclotron resonance (ECR) frequency range for realistic Tokamak plasma parameters became possible by using recently formulated hybrid iterative algorithm [Svidzinski et al., Phys. Plasmas 25, 082509 (2018)] for numerically solving discretized wave equations. This approach combines time evolution and iterative relaxation techniques into iteration cycles. This algorithm is implemented in 2D code FullWave, solving wave equations in Tokamaks in cold and hot plasma models, and it has been tested in 3D full wave iterative RF beams simulation tool, which is presently being developed to model 3D ECRH RF beams in fusion devices using dynamic grid adaptation. The results of 2D full wave modeling, assuming specified toroidal mode number, of ECRH RF beams in DIII-D plasma, performed in the cold and hot plasma models for outboard and top launch scenarios using FullWave are presented. Nonlocal hot plasma response model, based on accurate numerical solution of linearized Vlasov equation, is used to model beam propagation and absorption in the 2nd electron cyclotron harmonic region. Demonstration of capability of the hybrid iterative algorithm to model ECRH RF beams in 3D is made by simulating a substantial part of realistic beam in DIII-D, launched from outboard side of the machine. All relevant physics of RF beam propagation, most of which is not captured in paraxial approximation, such as beam's divergence, interference between the X and O modes in the beam, X-O mode conversion, beam splitting into the X and O mode beams, transformation of beam's cross section, and absorption at the 2nd electron cyclotron harmonic, is captured in the simulations. A numerical technique to find an optimal beam polarization at the launcher to launch a nearly pure X or O mode beam in plasma is developed and tested.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

BEAMS3D Neutral Beam Injection Model

With the advent of applied 3D fields in Tokamaks and modern high performance stellarators, a need has arisen to address non-axisymmetric effects on neutral beam heating and fueling. We report on the development of a fully 3D neutral beam injection (NBI) model, BEAMS3D, which addresses this need by coupling 3D equilibria to a guiding center code capable of modeling neutral and charged particle trajectories across the separatrix and into the plasma core. Ionization, neutralization, charge-exchange, viscous velocity reduction, and pitch angle scattering are modeled with the ADAS atomic physics database. Benchmark calculations are presented to validate the collisionless particle orbits, neutral beam injection model, frictional drag, and pitch angle scattering effects. A calculation of neutral beam heating in the NCSX device is performed, highlighting the capability of the code to handle 3D magnetic fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Structure- and Interaction-Based Design of Anti-SARS-CoV-2 Aptamers

Aptamer selection against novel infections is a complicated and time-consuming approach. Synergy can be achieved by using computational methods together with experimental procedures. In this study, we aim to develop a reliable methodology for a rational aptamer in silico et vitro design. The new approach combines multiple steps: (1) Molecular design, based on screening in a DNA aptamer library and directed mutagenesis to fit the protein tertiary structure; (2) 3D molecular modeling of the target; (3) Molecular docking of an aptamer with the protein; (4) Molecular dynamics (MD) simulations of the complexes; (5) Quantum-mechanical (QM) evaluation of the interactions between aptamer and target with further analysis; (6) Experimental verification at each cycle for structure and binding affinity by using small-angle X-ray scattering, cytometry, and fluorescence polarization. By using a new iterative design procedure, structure- and interaction-based drug design (SIBDD), a highly specific aptamer to the receptor-binding domain of the SARS-CoV-2 spike protein, was developed and validated. The SIBDD approach enhances speed of the high-affinity aptamers development from scratch, using a target protein structure. The method could be used to improve existing aptamers for stronger binding. This approach brings to an advanced level the development of novel affinity probes, functional nucleic acids. It offers a blueprint for the straightforward design of targeting molecules for new pathogen agents and emerging variants.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Regional Earthquake Ground Motion Simulations for Southern California With EQSIM: Insights From the 2008 Chino Hills, 2024 Highland Park, and 2021 Carson Earthquakes

This study presents physics-based, 3D simulations using the EQSIM framework for several earthquakes in the Los Angeles region. The primary objective was to assess the ability of deterministic physics-based ground motion simulations to reproduce the observed motions from historical events. The selected events included the mathematical equation M w 5.4 2008 Chino Hills, the mathematical equation M w 4.4 2024 Highland Park, and the mathematical equation M w 4.3 2021 Carson events. The simulated motions were evaluated by comparing the recorded and simulated seismograms, as well as the Fourier amplitude spectra, across multiple seismic stations. The SCEC 3D velocity model, CVM-S4.26.M01, was used to represent the regional geology, and ground motion simulations were carried out with a resolution of up to 5 Hz. The results indicate that the simulated motions captured the recorded motions up to approximately 4 Hz. While careful iterations regarding source parameters and corner frequencies were required, and, for the case of the Highland Park event, some of the near-source stations had relatively low accuracy, the present study established a positive step toward the utilization of physics-based simulations in practical applications. The computational efficiencies exhibited by EQSIM, especially on GPU clusters, further supported this assertion, as wall-clock times of simulations involving more than 10 billion grid points were as low as mathematical equation minutes. This permits ensemble simulations for a considered scenario event so that modeling uncertainties (e.g., source and geology) can be bracketed.

EQSIM↗
DOE OSTI2014

A semi-local spectral/hp element solver for linear elasticity problems:

We develop an efficient semi-local method for speeding up the solution of linear systems arising in spectral/hp element discretization of the linear elasticity equations. The main idea is to approximate the element-wise residual distribution with a localization operator we introduce in this paper, and subsequently solve the local linear system. Additionally, we decouple the three directions of displacement in the localization operator, hence enabling the use of an efficient low energy preconditioner for the conjugate gradient solver. This approach is effective for both nodal and modal bases in the spectral/hp element method, but here, we focus on the modal hierarchical basis. In numerical tests, we verify that there is no loss of accuracy in the semi-local method, and we obtain good parallel scalability and substantial speed-up compared to the original formulation. In particular, our tests include both structure-only and fluid-structure interaction problems, with the latter modeling a 3D patient-specific brain aneurysm. Copyright © 2014 John Wiley & Sons, Ltd.

Engineering↗