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At least 1,261 records · Page 70

A Validated Finite Element Modeling Tool for Hydrodynamic Loading and Structural Analysis of Ocean Deployed Macroalgae Farms

The objective of this project was to develop and validate a fine-tuned, 3D computational modeling tool for high-fidelity simulations of macroalgae cultivation and harvest systems. To develop this tool, a full understanding of the geometric, material and hydrodynamic properties associated with farming kelp in exposed environments was necessary. Experiments and numerical modeling were done at increasing scales from 1) tank tests with a 1 m model, 2) to field tests with a 61 m culture line at a sheltered site, 3) to field tests with a 122 m culture line at an exposed site and to 4) a 5- line array at the exposed site with 186 m of culture length. The results of the experimental tank tests yielded a set of hydrodynamic drag-area coefficients for a 1 m aggregate based on densely grown kelp at 16 kg/m with a length up to 3 m as described in Fredriksson et al. This work provided the basis to model kelp as a 1 m aggregate based on in-situ geometric and material properties to include measurements of kelp blade length and width, number of blades, yield per m, material mass density and cantilever tests to obtain modulus of elasticity.

54 ENVIRONMENTAL SCIENCES↗

Physical Models from Physical Templates Using Biocompatible Liquid Crystal Elastomers as Morphologically Programmable Inks For 3D Printing

Advanced manufacturing has received considerable attention as a tool for the fabrication of cell scaffolds however, finding ideal biocompatible and biodegradable materials that fit the correct parameters for 3D printing and guide cells to align remain a challenge. Herein, a photocrosslinkable smectic-A (Sm-A) liquid crystal elastomer (LCE) designed for 3D printing is presented, that promotes cell proliferation but most importantly induces cell anisotropy. The LCE-based bio-ink allows the 3D duplication of a highly complex brain structure generated from an animal model. Vascular tissue models are generated from fluorescently stained mouse tissue spatially imaged using confocal microscopy and subsequently processed to create a digital 3D model suitable for printing. The 3D structure is reproduced using a Digital Light Processing (DLP) stereolithography (SLA) desktop 3D printer. Synchrotron Small-Angle X-ray Diffraction (SAXD) data reveal a strong alignment of the LCE layering within the struts of the printed 3D scaffold. The resultant anisotropy of the LCE struts is then shown to direct cell growth. This study offers a simple approach to produce model tissues built within hours that promote cellular alignment.

3D cell culture↗

Real-time out-of-plane artifact subtraction tomosynthesis imaging using prior CT for scanning beam digital x-ray system

Purpose: The scanning beam digital x-ray system (SBDX) is an inverse geometry fluoroscopic system with high dose efficiency and the ability to perform continuous real-time tomosynthesis in multiple planes. This system could be used for image guidance during lung nodule biopsy. However, the reconstructed images suffer from strong out-of-plane artifact due to the small tomographic angle of the system. Methods: The authors propose an out-of-plane artifact subtraction tomosynthesis (OPAST) algorithm that utilizes a prior CT volume to augment the run-time image processing. A blur-and-add (BAA) analytical model, derived from the project-to-backproject physical model, permits the generation of tomosynthesis images that are a good approximation to the shift-and-add (SAA) reconstructed image. A computationally practical algorithm is proposed to simulate images and out-of-plane artifacts from patient-specific prior CT volumes using the BAA model. A 3D image registration algorithm to align the simulated and reconstructed images is described. The accuracy of the BAA analytical model and the OPAST algorithm was evaluated using three lung cancer patients’ CT data. The OPAST and image registration algorithms were also tested with added nonrigid respiratory motions. Results: Image similarity measurements, including the correlation coefficient, mean squared error, and structural similarity index, indicated that the BAA model is very accurate in simulating the SAA images from the prior CT for the SBDX system. The shift-variant effect of the BAA model can be ignored when the shifts between SBDX images and CT volumes are within ±10 mm in the x and y directions. The nodule visibility and depth resolution are improved by subtracting simulated artifacts from the reconstructions. The image registration and OPAST are robust in the presence of added respiratory motions. The dominant artifacts in the subtraction images are caused by the mismatches between the real object and the prior CT volume. Conclusions: Their proposed prior CT-augmented OPAST reconstruction algorithm improves lung nodule visibility and depth resolution for the SBDX system.

60 APPLIED LIFE SCIENCES↗

Simultaneous 3D–2D image registration and C-arm calibration: Application to endovascular image-guided interventions

Purpose: Three-dimensional to two-dimensional (3D–2D) image registration is a key to fusion and simultaneous visualization of valuable information contained in 3D pre-interventional and 2D intra-interventional images with the final goal of image guidance of a procedure. In this paper, the authors focus on 3D–2D image registration within the context of intracranial endovascular image-guided interventions (EIGIs), where the 3D and 2D images are generally acquired with the same C-arm system. The accuracy and robustness of any 3D–2D registration method, to be used in a clinical setting, is influenced by (1) the method itself, (2) uncertainty of initial pose of the 3D image from which registration starts, (3) uncertainty of C-arm’s geometry and pose, and (4) the number of 2D intra-interventional images used for registration, which is generally one and at most two. The study of these influences requires rigorous and objective validation of any 3D–2D registration method against a highly accurate reference or “gold standard” registration, performed on clinical image datasets acquired in the context of the intervention. Methods: The registration process is split into two sequential, i.e., initial and final, registration stages. The initial stage is either machine-based or template matching. The latter aims to reduce possibly large in-plane translation errors by matching a projection of the 3D vessel model and 2D image. In the final registration stage, four state-of-the-art intrinsic image-based 3D–2D registration methods, which involve simultaneous refinement of rigid-body and C-arm parameters, are evaluated. For objective validation, the authors acquired an image database of 15 patients undergoing cerebral EIGI, for which accurate gold standard registrations were established by fiducial marker coregistration. Results: Based on target registration error, the obtained success rates of 3D to a single 2D image registration after initial machine-based and template matching and final registration involving C-arm calibration were 36%, 73%, and 93%, respectively, while registration accuracy of 0.59 mm was the best after final registration. By compensating in-plane translation errors by initial template matching, the success rates achieved after the final stage improved consistently for all methods, especially if C-arm calibration was performed simultaneously with the 3D–2D image registration. Conclusions: Because the tested methods perform simultaneous C-arm calibration and 3D–2D registration based solely on anatomical information, they have a high potential for automation and thus for an immediate integration into current interventional workflow. One of the authors’ main contributions is also comprehensive and representative validation performed under realistic conditions as encountered during cerebral EIGI.

60 APPLIED LIFE SCIENCES↗

Stealthy Cyber Anomaly Detection On Large Noisy Multi-material 3D Printer Datasets Using Probabilistic Models

As Additive Layer Manufacturing (ALM) becomes pervasive in industry, its applications in safety critical component manufacturing are being explored and adopted. However, ALM's reliance on embedded computing renders it vulnerable to tampering through cyber-attacks. Sensor instrumentation of ALM devices allows for rigorous process and security monitoring, but also results in a massive volume of noisy data for each run. As such, in-situ, near-real-time anomaly detection is very challenging. The ideal algorithm for this context is simple, computationally efficient, minimizes false positives, and is accurate enough to resolve small deviations. In this paper, we present a probabilistic-model-based approach to address this challenge. To test our approach, we analyze current measurements from a polymer composite 3D printer during emulated tampering attacks. Our results show that our approach can consistently and efficiently locate small changes in the presence of substantial operational noise.

Yoginath, Srikanth↗

The Effect of Protoplanetary Disk Cooling Times on the Formation of Gas Giant Planets by Gravitational Instability

Observational evidence exists for the formation of gas giant planets on wide orbits around young stars by disk gravitational instability, but the roles of disk instability and core accretion for forming gas giants on shorter period orbits are less clear. The controversy extends to population synthesis models of exoplanet demographics and to hydrodynamical models of the fragmentation process. The latter refers largely to the handling of radiative transfer in three-dimensional (3D) hydrodynamical models, which controls heating and cooling processes in gravitationally unstable disks, and hence dense clump formation. A suite of models using the β cooling approximation is presented here. The initial disks have masses of 0.091 M {sub ⊙} and extend from 4 to 20 au around a 1 M {sub ⊙} protostar. The initial minimum Toomre Qi values range from 1.3 to 2.7, while β ranges from 1 to 100. We show that the choice of Q {sub i} is equal in importance to the β value assumed: high Q{sub i} disks can be stable for small β , when the initial disk temperature is taken as a lower bound, while low Q{sub i} disks can fragment for high β . These results imply that the evolution of disks toward low Q{sub i} must be taken into account in assessing disk fragmentation possibilities, at least in the inner disk, i.e., inside about 20 au. The models suggest that if low Q{sub i} disks can form, there should be an as yet largely undetected population of gas giants orbiting G dwarfs between about 6 au and 16 au.

79 ASTRONOMY AND ASTROPHYSICS↗

Planet Formation by Gas-assisted Accretion of Small Solids

We compute the accretion efficiency of small solids, with radii 1 cm ≤ R s ≤ 10 m, on planets embedded in gaseous disks. Planets have masses 3 ≤ M p ≤ 20 Earth masses (M ⊕ ) and orbit within 10 au of a solar mass star. Disk thermodynamics is modeled via 3D radiation-hydrodynamics calculations that typically resolve the planetary envelopes. Both icy and rocky solids are considered, explicitly modeling their thermodynamic evolution. The maximum efficiencies of 1 ≤ R s ≤ 100 cm particles are generally ≲10%, whereas 10 m solids tend to accrete efficiently or be segregated beyond the planet’s orbit. A simplified approach is applied to compute the accretion efficiency of small cores, with masses M p ≤ 1 M ⊕ and without envelopes, for which efficiencies are approximately proportional to $M^{2/3}_{p}$. The mass flux of solids, estimated from unperturbed drag-induced drift velocities, provides typical accretion rates dM p /dt ≲ 10 -5 M ⊕ yr -1 . In representative disk models with an initial gas-to-dust mass ratio of 70–100 and total mass of 0.05–0.06 M ⊙ , the solids’ accretion falls below 10 -6 M ⊕ yr -1 after 1–1.5 Myr. The derived accretion rates, as functions of time and planet mass, are applied to formation calculations that compute dust opacity self-consistently with the delivery of solids to the envelope. Assuming dust-to-solid coagulation times of ≈0.3 Myr and disk lifetimes of ≈3.5 Myr, heavy-element inventories in the range 3–7 M ⊕ require that ≈90–150 M ⊕ of solids cross the planet’s orbit. The formation calculations encompass a variety of outcomes, from planets a few times M ⊕ , predominantly composed of heavy elements, to giant planets. The peak luminosities during the epoch of the solids’ accretion range from ≈10 -7 to ≈10 -6 L ⊙ .

79 ASTRONOMY AND ASTROPHYSICS↗

Prediction of Dynamical Impact of Changes in Stratospheric Ozone

Under this grant one paper by Lou et al and a second paper by Kindler et al is in journal. These papers both describe N2O simulations using UKMO and Goddard assimilated wind fields and comparisons of the results against CLAES N2O observations. The results of these studies indicate some of the difficulties of using the assimilated wind fields, and the vertical motions in particular, in simulating long term variations in trace gases in the stratosphere. On the other hand, qualitatively the results possess a number of features of the observations even on time scales longer than a month or two. More recently we have started to examine results obtained using NCAR models a 3D version of which also uses the UKMO assimilated wind fields. Calculations have already been made with their 2D model with emphasis on the seasonal cycle in ozone at high latitudes in the upper stratosphere. Simultaneously trends in stratospheric ozone have been studied in detail from SAGE and UARS observations. Moreover, observations of the trends since 1984 do not show a significant interhemispheric asymmetry in upper stratospheric ozone. Therefore any asymmetry in the trends must have occurred prior to the mid-eighties and would most likely have been related to interhemispheric differences in upper stratospheric temperature trends. Another activity has been to compile an ozone climatology from UARS and SAGE observations. This effort has been performed as part of a UARS team activity to assemble a climatology of all the UARS long-lived trace gases for 1992-1993.

Cunnold, Derek M.↗

The Radiation, Interplanetary Shocks, and Coronal Sources (RISCS) Toolset

We outline a plan to develop a physics based predictive toolset RISCS to describe the interplanetary energetic particle and radiation environment throughout the inner heliosphere, including at the Earth. To forecast and "nowcast" the radiation environment requires the fusing of three components: 1) the ability to provide probabilities for incipient solar activity; 2) the use of these probabilities and daily coronal and solar wind observations to model the 3D spatial and temporal heliosphere, including magnetic field structure and transients, within 10 AU; and 3) the ability to model the acceleration and transport of energetic particles based on current and anticipated coronal and heliospheric conditions. We describe how to address 1) - 3) based on our existing, well developed, and validated codes and models. The goal of RISCS toolset is to provide an operational forecast and "nowcast" capability that will a) predict solar energetic particle (SEP) intensities; b) spectra for protons and heavy ions; c) predict maximum energies and their duration; d) SEP composition; e) cosmic ray intensities, and f) plasma parameters, including shock arrival times, strength and obliquity at any given heliospheric location and time. The toolset would have a 72 hour predicative capability, with associated probabilistic bounds, that would be updated hourly thereafter to improve the predicted event(s) and reduce the associated probability bounds. The RISCS toolset would be highly adaptable and portable, capable of running on a variety of platforms to accommodate various operational needs and requirements.

Zank, G. P.↗

Automated AI-driven Molecular Design for Therapeutic Discovery

In recent years, artificial intelligence and machine learning (AI/ML) approaches have revolutionized the process of designing new therapeutics, enabling scientists to rapidly respond to emerging threats from various pathogens. A prime example is the SARS-CoV-2 main protease, a key target for the development of antiviral inhibitors. In this study, we employed a novel, integrated approach that combines AI-driven iterative design of inhibitor candidates, screening based on physio-chemical properties and toxicity, physics-based computational modeling of protein-inhibitor interactions, and AI-assisted analysis of Native MS biophysical assay and characterization of designed candidates. Our deep learning 3D-scaffold model, which uses an input scaffold as a starting point, generated tens of thousands of compounds while preserving the key scaffold. To optimize these candidates, we calculated a comprehensive set of 136 descriptors, including both 2D and 3D molecular features, for compounds targeting the SARS-CoV-2 Main protease (Mpro) and a neurodegenerative disease-associated protein, cyclophilin (Cyp). The generated compounds were initially filtered based on their properties and then ranked according to their predicted binding affinity using our automated modeling and ML methods. Experimental validation of the Mpro candidates showing inhibitory activity demonstrates that our workflow can expedite the therapeutic discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ROCKE-3D 2.0: An Updated General Circulation Model for Simulating the Climates of Rocky Planets

We present the second generation of ROCKE-3D (Resolving Orbital and Climate Keys of Earth and Extraterrestrial Environments with Dynamics), the generalized 3-dimensional General Circulation Model (GCM) for use in Solar System and exoplanetary simulations of rocky planet climates. ROCKE-3D version 2.0 is a descendant of GISS ModelE2.1, the flagship GCM of the NASA Goddard Institute for Space Studies (GISS) used in the most recent Intergovernmental Panel for Climate Change (IPCC) assessment. ROCKE-3D is a continuous effort to expand the capabilities of GISS ModelE to handle a broader range of atmospheric conditions, including different atmospheric planet sizes, gravities, pressures, rotation rates, more diverse chemistries and atmospheric compositions, diverse ocean and land distributions and topographies, and potential basic biosphere functions. We present in this release many more supported configurations which can serve as starting points to simulate terrestrial planets of interest. Two different radiation schemes are supported, the GISS radiation, valid for Earth-like planets, and SOCRATES, which is more generalized but requires more CPU resources. In addition, three different atmospheric compositions are supported, three ocean configurations (prescribed, q-flux, and dynamic), and two resolutions: the medium resolution (4 x 5 degrees in latitude x longitude) used in ROCKE-3D 1.0, and the fine resolution, which has double the resolution in the atmosphere and 4 times the resolution in the ocean. We quantify how the different component choices affect model results, and discuss strengths and limitations of using each component, together with how one can select which component to use. ROCKE-3D is publicly available and tutorial sessions are available for the community, greatly facilitating its use by any interested group.

ROCKE-3D↗

3D-Stereoscopic Analysis of Solar Active Region Loops: I: SoHo/EIT Observations at Temperatures of 1.0-1.5 MK

The three-dimensional (3D) structure of solar active region NOAA 7986 observed on 1996 August 30 with the Extrem-ultraviolet Imaging Telescope (EIT) onboard the Solar and Heliospheric Observatory (SoHO) is analyzed. We develop a new method of Dynamic Stereoscopy to reconstruct the 3D geometry of dynamically changing loops, which allows us to determine the orientation of the loop plane with respect to the line-of-sight, a prerequisite to correct properly for projection effects in 3D loop models. With this method and the filter-ratio technique applied to EIT 171 A and 195 A images we determine the 3D coordinates (x(s), y(s), z(s)), the loop width) w(s), the electron density n(sub e)(s), and the electron temperature T(sub e)(s) as function of the loop length s for 30 loop segments. Fitting the loop densities with an exponential density model n(sub e)(h) we find that the so inferred scale height temperatures, T(sub e)(sup lambda) = 1.22 +/- 0.23 MK, match closely the EIT filter-ratio temperatures, T(sub e)(sup FIT) = 1.21 +/- 0.06 MK. We conclude that these rather large-scale loops (with heights of h approx. equals 50 - 200 Mm) that dominate EIT 171 A images are close to thermal equilibrium. Most of the loops show no significant thickness variation w(s), but many exhibit a trend of increasing temperature (dT/ds greater than 0) above the footpoint.

Aschwanden, Markus J.↗

A deep learning-accelerated data assimilation and forecasting workflow for commercial-scale geologic carbon storage

Fast assimilation of monitoring data to update forecasts of pressure buildup and carbon dioxide (CO 2 ) plume migration under geologic uncertainties is a challenging problem in geologic carbon storage. The high computational cost of data assimilation with a high-dimensional parameter space impedes fast decision-making for commercial-scale reservoir management. We propose to leverage physical understandings of porous medium flow behavior with deep learning techniques to develop a fast data assimilation-reservoir response forecasting workflow. Applying an Ensemble Smoother Multiple Data Assimilation (ES-MDA) framework, the workflow updates geologic properties and predicts reservoir performance with quantified uncertainty from pressure history and CO 2 plumes interpreted through seismic inversion. As the most computationally expensive component in such a workflow is reservoir simulation, we developed surrogate models to predict dynamic pressure and CO 2 plume extents under multi-well injection. The surrogate models employ deep convolutional neural networks, specifically, a wide residual network and a residual U-Net. The workflow is validated against a flat threedimensional reservoir model representative of a clastic shelf depositional environment. Intelligent treatments are applied to bridge between quantities in a true-3D reservoir model and those in a single-layer reservoir model. The workflow can complete history matching and reservoir forecasting with uncertainty quantification in less than one hour on a mainstream personal workstation.

25 ENERGY STORAGE↗

GeoTess: A generalized Earth model software utility

GeoTess is a model parameterization and software support library that manages the construction, population, storage, and interrogation of data stored in 2D and 3D Earth models. Here, the software is available in Java and C++, with a C interface to the C++ library.

58 GEOSCIENCES↗

Use of Human Computer Models to Influence the Design of International Space Station Propulsion Module

The overall design for the International Space Station (ISS) Propulsion (Prop) Module consists of two bell shapes connected by a long tube having a shirt sleeve environment. The tube is to be used by the flight crew to transfer equipment and supplies from the Shuttle to ISS. Due to a desire to use existing space qualified hardware, the tube internal diameter was initially set at 38 inches, while the human engineering specification, NASA-STD-3000, required 50". Human computer modeling using the MannequinPro application was used to help make the case to enlarge the passageway to meet the specification. 3D CAD models of Prop Module were created with 38 inches, 45 inches and 50 inches passageways and human figures in the neutral body posture as well as a fetal posture were inserted into the model and systematically exercised. Results showed that only the 50 inches tube would accommodate a mid tube turn around by a large crew member, 95th percentile American males, by stature.

Hamilton, George S.↗

Development and Transition of the Radiation, Interplanetary Shocks, and Coronal Sources (RISCS) Toolset

We outline a plan to develop and transition a physics based predictive toolset called The Radiation, Interplanetary Shocks, and Coronal Sources (RISCS) to describe the interplanetary energetic particle and radiation environment throughout the inner heliosphere, including at the Earth. To forecast and "nowcast" the radiation environment requires the fusing of three components: 1) the ability to provide probabilities for incipient solar activity; 2) the use of these probabilities and daily coronal and solar wind observations to model the 3D spatial and temporal heliosphere, including magnetic field structure and transients, within 10 Astronomical Units; and 3) the ability to model the acceleration and transport of energetic particles based on current and anticipated coronal and heliospheric conditions. We describe how to address 1) - 3) based on our existing, well developed, and validated codes and models. The goal of RISCS toolset is to provide an operational forecast and "nowcast" capability that will a) predict solar energetic particle (SEP) intensities; b) spectra for protons and heavy ions; c) predict maximum energies and their duration; d) SEP composition; e) cosmic ray intensities, and f) plasma parameters, including shock arrival times, strength and obliquity at any given heliospheric location and time. The toolset would have a 72 hour predicative capability, with associated probabilistic bounds, that would be updated hourly thereafter to improve the predicted event(s) and reduce the associated probability bounds. The RISCS toolset would be highly adaptable and portable, capable of running on a variety of platforms to accommodate various operational needs and requirements. The described transition plan is based on a well established approach developed in the Earth Science discipline that ensures that the customer has a tool that meets their needs

Spann, James F.↗

Revisiting of Multiscale Static Analysis of Notched Laminates Using the Generalized Method of Cells

Composite material systems generally exhibit a range of behavior on different length scales (from constituent level to macro); therefore, a multiscale framework is beneficial for the design and engineering of these material systems. The complex nature of the observed composite failure during experiments suggests the need for a three-dimensional (3D) multiscale model to attain a reliable prediction. However, the size of a multiscale three-dimensional finite element model can become prohibitively large and computationally costly. Two-dimensional (2D) models are preferred due to computational efficiency, especially if many different configurations have to be analyzed for an in-depth damage tolerance and durability design study. In this study, various 2D and 3D multiscale analyses will be employed to conduct a detailed investigation into the tensile failure of a given multidirectional, notched carbon fiber reinforced polymer laminate. Threedimensional finite element analysis is typically considered more accurate than a 2D finite element model, as compared with experiments. Nevertheless, in the absence of adequate mesh refinement, large differences may be observed between a 2D and 3D analysis, especially for a shear-dominated layup. This observed difference has not been widely addressed in previous literature and is the main focus of this paper.

Materials Engineering↗