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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Postoperative 3D spine reconstruction by navigating partitioning manifolds

Purpose: The postoperative evaluation of scoliosis patients undergoing corrective treatment is an important task to assess the strategy of the spinal surgery. Using accurate 3D geometric models of the patient’s spine is essential to measure longitudinal changes in the patient’s anatomy. On the other hand, reconstructing the spine in 3D from postoperative radiographs is a challenging problem due to the presence of instrumentation (metallic rods and screws) occluding vertebrae on the spine. Methods: This paper describes the reconstruction problem by searching for the optimal model within a manifold space of articulated spines learned from a training dataset of pathological cases who underwent surgery. The manifold structure is implemented based on a multilevel manifold ensemble to structure the data, incorporating connections between nodes within a single manifold, in addition to connections between different multilevel manifolds, representing subregions with similar characteristics. Results: The reconstruction pipeline was evaluated on x-ray datasets from both preoperative patients and patients with spinal surgery. By comparing the method to ground-truth models, a 3D reconstruction accuracy of 2.24 ± 0.90 mm was obtained from 30 postoperative scoliotic patients, while handling patients with highly deformed spines. Conclusions: This paper illustrates how this manifold model can accurately identify similar spine models by navigating in the low-dimensional space, as well as computing nonlinear charts within local neighborhoods of the embedded space during the testing phase. This technique allows postoperative follow-ups of spinal surgery using personalized 3D spine models and assess surgical strategies for spinal deformities.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2022

Ig-VAE: Generative modeling of protein structure by direct 3D coordinate generation

While deep learning models have seen increasing applications in protein science, few have been implemented for protein backbone generation—an important task in structure-based problems such as active site and interface design. We present a new approach to building class-specific backbones, using a variational auto-encoder to directly generate the 3D coordinates of immunoglobulins. Our model is torsion- and distance-aware, learns a high-resolution embedding of the dataset, and generates novel, high-quality structures compatible with existing design tools. We show that the Ig-VAE can be used with Rosetta to create a computational model of a SARS-CoV2-RBD binder via latent space sampling. We further demonstrate that the model’s generative prior is a powerful tool for guiding computational protein design, motivating a new paradigm under which backbone design is solved as constrained optimization problem in the latent space of a generative model.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2003

A New Look into the Effect of Large Drops on Radiative Transfer Process

Recent studies indicate that a cloudy atmosphere absorbs more solar radiation than any current 1D or 3D radiation model can predict. The excess absorption is not large, perhaps 10-15 W/sq m or less, but any such systematic bias is of concern since radiative transfer models are assumed to be sufficiently accurate for remote sensing applications and climate modeling. The most natural explanation would be that models do not capture real 3D cloud structure and, as a consequence, their photon path lengths are too short. However, extensive calculations, using increasingly realistic 3D cloud structures, failed to produce photon paths long enough to explain the excess absorption. Other possible explanations have also been unsuccessful so, at this point, conventional models seem to offer no solution to this puzzle. The weakest link in conventional models is the way a size distribution of cloud particles is mathematically handled. Basically, real particles are replaced with a single average particle. This "ensemble assumption" assumes that all particle sizes are well represented in any given elementary volume. But the concentration of larger particles can be so low that this assumption is significantly violated. We show how a different mathematical route, using the concept of a cumulative distribution, avoids the ensemble assumption. The cumulative distribution has jumps, or steps, corresponding to the rarer sizes. These jumps result in an additional term, a kind of Green's function, in the solution of the radiative transfer equation. Solving the cloud radiative transfer equation with the measured particle distributions, described in a cumulative rather than an ensemble fashion, may lead to increased cloud absorption of the magnitude observed.

Marshak, Alexander↗
DOE OSTI2020

Modular high temperature gas reactor core modeling with RELAP5-3D/PHISICS – Optimization schemes for load following

The objective of this study is to develop a 3D/NK model to study the load following operation of a Modular High-Temperature Gas-Cooled Reactor (MHTGR). The selected design is the 350 MW prismatic, graphite moderated, helium cooled thermal reactor based on the MHTGR-350 transient benchmark led by the High-Temperature Gas-Cooled Reactor (HTGR) Methods Core Simulation Group at Idaho National Laboratory (INL) in the framework of the Organization for Economic Cooperation and Development Nuclear Energy Agency (OECD/NEA). This kind of reactor usually reacts very slowly to the perturbation of the core parameters due to the large amount of graphite in the core. This kind of behavior promotes the reactor stability but on the other hand limits the reactor load-following operability. Recently advances in gas reactor designs have made load-following in gas reactors a feasible and achievable goal. Modern nuclear reactors (such as the MHTGR-350) are designed to withstand the structural stresses associated with load-following. Operating the reactor in load-following mode will inevitably reduce the load factor. Although a higher load factor means more revenue and the best usage of the fuel, following the variable energy demand will increase the maximum achievable fraction of generated nuclear power, being no more limited to the base load power generation. In general, if low impact on material aging and the safe operability are demonstrated the plant economics will be minimally affected. In order to ensure that the system can be safely operated in a load-following mode an extensively study has been carried out. Some tests with linear coolant mass flow rate change demonstrated that the reactor behavior is suitable for operation in load following mode. This assumption has been confirmed by a 4 days load following transient test in which the reactor supplied the requested power with a negligible error.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

The Role of Dimensionality in Understanding Granuloma Formation

Within the first 2–3 months of a Mycobacterium tuberculosis (Mtb) infection, 2–4 mm spherical structures called granulomas develop in the lungs of the infected hosts. These are the hallmark of tuberculosis (TB) infection in humans and non-human primates. A cascade of immunological events occurs in the first 3 months of granuloma formation that likely shapes the outcome of the infection. Understanding the main mechanisms driving granuloma development and function is key to generating treatments and vaccines. In vitro, in vivo, and in silico studies have been performed in the past decades to address the complexity of granuloma dynamics. This study builds on our previous 2D spatio-temporal hybrid computational model of granuloma formation in TB (GranSim) and presents for the first time a more realistic 3D implementation. We use uncertainty and sensitivity analysis techniques to calibrate the new 3D resolution to non-human primate (NHP) experimental data on bacterial levels per granuloma during the first 100 days post infection. Due to the large computational cost associated with running a 3D agent-based model, our major goal is to assess to what extent 2D and 3D simulations differ in predictions for TB granulomas and what can be learned in the context of 3D that is missed in 2D. Our findings suggest that in terms of major mechanisms driving bacterial burden, 2D and 3D models return very similar results. For example, Mtb growth rates and molecular regulation mechanisms are very important both in 2D and 3D, as are cellular movement and modulation of cell recruitment. The main difference we found was that the 3D model is less affected by crowding when cellular recruitment and movement of cells are increased. Overall, we conclude that the use of a 2D resolution in GranSim is warranted when large scale pilot runs are to be performed and if the goal is to determine major mechanisms driving infection outcome (e.g., bacterial load). To comprehensively compare the roles of model dimensionality, further tests and experimental data will be needed to expand our conclusions to molecular scale dynamics and multi-scale resolutions.

2D vs. 3D↗
DOE OSTI2022

-Omics potential of in vitro skin models for radiation exposure

There is a growing need to uncover biomarkers of ionizing radiation exposure that leads to a better understanding of how exposures take place, including dose type, rate, and time since exposure. As one of the first organs to be exposed to external sources of ionizing radiation, skin is uniquely positioned in terms of model systems for radiation exposure study. The simultaneous evolution of both MS-based -omics studies, as well as in vitro 3D skin models, has created the ability to develop a far more holistic understanding of how ionizing radiation affects the many interconnected biomolecular processes that occur in human skin. However, there are a limited number of studies describing the biomolecular consequences of low-dose ionizing radiation to the skin. As a result, this review will seek to explore the current state-of-the-art technology in terms of in vitro 3D skin models, as well as track the trajectory of MS-based -omics techniques and their application to ionizing radiation research, specifically, the search for biomarkers within the low-dose range.

3D tissue model↗
DOE OSTI2023

HPC-Enabled Optimization of High Temperature Heat Exchangers (CRADA Final Report)

This project was a collaborative effort between Lawrence Livermore National Security, LLC (LLNS) as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Materials Sciences, LLC, to develop a technology for design and optimization of heat exchangers using powerful desktop and laptop computers. The project was originally designated as a 12-month project, and consisted of 3# major tasks and the following 8# major deliverables: 1) CFD models of 3D heat exchangers based on existing and new geometry. 2) Validation against experimental data provided by MSC and published in the literature. 3) CFD models of 3D unit cells based on TPMS. 4) Surrogate models capable of delivering the gradients of the homogenized properties with respect to the parametrization. 5) 3D design methodology using TO algorithms. 6) Conventional reference and topology optimized designs. 7) 3D optimized designs stored in a 3D printer build format. 8) Verification of the improved performance. All of the deliverables for this project were successfully completed with two no-cost time extensions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

HPC-Enabled Optimization of High Temperature Heat Exchangers (CRADA Final Report)

This project was a collaborative effort between Lawrence Livermore National Security, LLC (LLNS) as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Materials Sciences, LLC, to develop a technology for design and optimization of heat exchangers using powerful desktop and laptop computers. The project was originally designated as a 12-month project, and consisted of 3# major tasks and the following 8# major deliverables: 1) CFD models of 3D heat exchangers based on existing and new geometry. 2) Validation against experimental data provided by MSC and published in the literature. 3) CFD models of 3D unit cells based on TPMS. 4) Surrogate models capable of delivering the gradients of the homogenized properties with respect to the parametrization. 5) 3D design methodology using TO algorithms. 6) Conventional reference and topology optimized designs. 7) 3D optimized designs stored in a 3D printer build format. 8) Verification of the improved performance. All of the deliverables for this project were successfully completed with two no-cost time extensions.

13 HYDRO ENERGY↗
NASA NTRS1992

Simulation of the zonal mean climatology of the middle atmosphere with a three-dimensional spectral model for solstice and equinox conditions

A 3D spectral model was used to simulate the zonal mean state of the middle atmosphere for solstice and equinox conditions. The model incorporates realistic parameterizations of atmospheric infrared cooling and a gravity wave formulation based on a combination of Lindzen's (1981) and Matsuno's (1982) approaches. The temperature distributions for both seasons and the zonal wind distribution for solstice are found to be in satisfactory agreement with the empirical model of Fleming et al. (1988). Net vertical fluxes of horizontal momentum are in good agreement with systematic observations of gravity waves in the middle atmosphere.

Akmaev, R. A.↗
DOE OSTI2025

Sparse measurement medical CT reconstruction using multi-fused block matching denoising priors

A major challenge for medical X-ray CT imaging is reducing the number of X-ray projections to lower radiation dosage and reduce scan times without compromising image quality. However these under-determined inverse imaging problems rely on the formulation of an expressive prior model to constrain the solution space while remaining computationally tractable. Traditional analytical reconstruction methods like Filtered Back Projection (FBP) often fail with sparse measurements, producing artifacts due to their reliance on the Shannon-Nyquist Sampling Theorem. Consensus Equilibrium, which is a generalization of Plug and Play, is a recent advancement in Model-Based Iterative Reconstruction (MBIR), has facilitated the use of multiple denoisers are prior models in an optimization free framework to capture complex, non-linear prior information. However, 3D prior modelling in a Plug and Play approach for volumetric image reconstruction requires long processing time due to high computing requirement. Instead of directly using a 3D prior, this work proposes a BM3D Multi Slice Fusion (BM3D-MSF) prior that uses multiple 2D image denoisers fused to act as a fully 3D prior model in Plug and Play reconstruction approach. Our approach does not require training and are thus able to circumvent ethical issues related with patient training data and are readily deployable in varying noise and measurement sparsity levels. In addition, reconstruction with the BM3D-MSF prior achieves similar reconstruction image quality as fully 3D image priors, but with significantly reduced computational complexity. We test our method on clinical CT data and demonstrate that our approach improves reconstructed image quality.

Hossain, Maliha [ORNL]↗
DOE OSTI2014

Peppytides: Interactive Models of Polypeptide Chains

Peppytides are scaled, 3D-printed models of polypeptide chains that can be folded into accurate protein structures. Designed and created by Berkeley Lab Researcher, Promita Chakraborty, and Berkeley Lab Senior Scientist, Dr. Ron Zuckermann, Peppytides are accurate physical models of polypeptide chains that anyone can interact with and fold intro various protein structures - proving to be a great educational tool, resulting in a deeper understanding of these fascinating structures and how they function. Build your own Peppytide model and learn about how nature's machines fold into their intricate architectures!

3D PRINTING↗
NASA NTRS2024

Derivation of Equations of Motion and Model-based Control for 3D Rigid Body Approximation of LUVOIR

The Large UV/Optical/IR Surveyor (LUVOIR) is a conceptual space observatory under development by NASA Goddard Space Flight Center for the Astronomy and Astrophysics Decadal Survey. As with similar space telescopes, e.g., James Webb, this spacecraft will have ultra-stringent pointing stability requirements, i.e., on the order of miliarcseconds. Thus, the design of the LUVOIR attitude control system (ACS) may benefit from a model-based approach. In this document, we present an approximate model of the LUVOIR composed of two 3D rigid bodies connected by a 1-DOF rotary joint. From this model, we derive the nonlinear equations of motion, following the approach of Eric T. Stoneking [1], and linearize them about an arbitrary reference orientation. Using the subsequent state space representation, it is straightforward to compute a set of control gains (e.g., via the ”lqr” or ”place” commands in MATLAB). We conclude this memo with a comparison of our LQR approach with the existing PID slew controller designed by a former NASA intern.

William Bentz↗
NASA NTRS1992

Three-dimensional analytical model for the mixed layer depth

A three-dimensional (3D) semianalytical mixed-layer thermal inertia model for the mixed layer depth is developed, which includes the horizontal advection and diffusion processes modeled previously by Yan et al. (1991) in a one-dimensional (1D) model. The 3D model, which is based on the 3D thermal energy conservation equation, can be used as a supplement to the 1D model in the area where advection is important and for a finer resolution grid prediction. The model can be easily forced by remotely sensed data and is much simpler to compute than numerical 3D mixed-layer turbulence closure models. The new model was verified using data from the AVHRR/multichannel sea surface temperature data set and the Cooperative Ocean Atmosphere Data Set for the North Pacific Ocean, showing good agreement.

Yan, Xiao-Hai↗
DOE OSTI2019

(0,2) dualities and the 4-simplex

We propose that a simple, Lagrangian 2d \( \mathcal{N} \) = (0, 2) duality interface between the 3d \( \mathcal{N} \) = 2 XYZ model and 3d \( \mathcal{N} \) = 2 SQED can be associated to the simplest triangulated 4-manifold: the 4-simplex. We then begin to flesh out a dictionary between more general triangulated 4-manifolds with boundary and 2d \( \mathcal{N} \) = (0, 2) interfaces. In particular, we identify IR dualities of interfaces associated to local changes of 4d triangulation, governed by the (3), (2, 4), and (2, 4) Pachner moves. We check these dualities using supersymmetric half-indices. We also describe how to produce stand-alone 2d theories (as opposed to interfaces) capturing the geometry of 4-simplices and Pachner moves by making additional field-theoretic choices, and find in this context that the Pachner moves recover abelian \( \mathcal{N} \) = (0, 2) trialities of Gadde-Gukov-Putrov. Our work provides new, explicit tools to explore the interplay between 2d dualities and 4-manifold geometry that has been developed in recent years.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1990

Graphics modelling of non-contact thickness measuring robotics work cell

A system was developed for measuring, in real time, the thickness of a sprayable insulation during its application. The system was graphically modelled, off-line, using a state-of-the-art graphics workstation and associated software. This model was to contain a 3D color model of a workcell containing a robot and an air bearing turntable. A communication link was established between the graphics workstations and the robot's controller. Sequences of robot motion generated by the computer simulation are transmitted to the robot for execution.

Warren, Charles W.↗
NASA NTRS1993

Foundations for statistical-physical precipitation retrieval from passive microwave satellite measurements. II - Emission-source and generalized weighting-function properties of a time-dependent cloud-radiation model

The foremost physical aspects of microphysical-radiative interactions that control the formation and modulation of frequency-dependent passive microwave TB over a continental cold-rain precipitation system are explained within the framework of the essential ingredients of a physically based precipitation-retrieval algorithm. The analysis is based on a modeling study in which a 3D cloud model has provided the objective basis for generating an extensive set of microphysical profiles that describe numerous precipitation features in the course of the evolution of a continental hail storm. A summary of the various components of the algorithm, as well as the surface rain rates, is given. The algorithm employs the cloud model to provide a consistent and objectively generated source of detailed microphysical information as the underpinnings to an inversion-based perturbative retrieval scheme.

Mugnai, Alberto↗
DOE OSTI2024

Modeling of Sagging for 3D Printed Layers During the Curing Process

Here, a printed layer of silica-enforced poly(dimethylsiloxane)-co-(diphenylsiloxane) is modeled as a two-phase system consisting of air and polymer with an interface set up during the printing process. The structural geometry changes mostly due to the action of surface tension, while all material properties are strongly temperature dependent. Polymer flow is described using equations of the extended Herschel–Bulkley model, with parameters strongly dependent on temperature and degree of curing. Parameters of the model are determined using flow sweep measurements and separate experiments with vertical structure sagging at different temperatures. The curing process is modeled using dependencies between the curing rate, degree of curing, and temperature obtained in studies by differential scanning calorimetry. The developed model is used for simulations of printed structure deformations with different initial and boundary conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2018

What makes a material printable? A viscoelastic model for extrusion-based 3D printing of polymers

This paper presents a practical model for evaluating polymer feedstock materials as candidates for 3D printing across a variety of extrusion-based platforms. In order for a material to be successfully utilized for 3D printing operations, a series of fundamental conditions must be met. First, pressure-driven extrusion must occur through a given diameter nozzle at a specified flow rate. Second, the extruded material must form and sustain the desired shape. Third, the extruded structure must be able to bridge a specified gap and serve as a mechanically sound foundation for successive deposits. Finally, the deposited structure must be dimensionally stable during the transition to the final state (i.e. fully cured at room temperature). This article presents a framework for extrusion-based printing and a simple viscoelastic model for each of these conditions based on the rheological and thermo-physical properties of the candidate material and the processing parameters of the extrusion-based deposition platform. The model is demonstrated to be a useful tool for the evaluation of example test cases including: high temperature thermoplastics (polyphenylsulfone), fiber reinforced thermoplastics (acrylonitrile butadiene styrene), low-viscosity thermosets (epoxy resins), and thermoplastics with a high coefficient of thermal expansion (polypropylene).

36 MATERIALS SCIENCE↗