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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Alchemy: A Model-Based Approach for 2D to 3D Autonomous Nuclear System Design

Engineering design of nuclear power plant (NPP) piping and equipment systems frequently bypasses crucial 2D system planning, instead moving straight to 3D modeling. This often leads to designs that exceed building envelope constraints, forcing expensive and time-consuming redesigns. When 2D modeling is employed, it typically involves labor-intensive manual workflows that convert 2D drawings into 3D models, resulting in inefficiencies and errors across design iterations. These workflows further suffer from poor software interoperability and dependence on proprietary software ecosystems, thereby contributing to schedule delays and cost overruns. This paper presents Alchemy, an autonomous framework that transforms 2D system definitions into Industry Foundation Classes (IFC)-compliant 3D building information models (BIMs) for expediting nuclear facility design at the conceptual preliminary phase. Using a model-based approach, the framework treats the 2D system diagram as the central reference model employed to automatically generate all subsequent outputs, ensuring consistency between the system definition and the resulting physical design. A web-based interface enables engineers to define hierarchical system topologies including associated equipment, geometric properties, and connectivity requirements. A two-phase equipment layout optimization algorithm automatically computes collision-free spatial configurations within predefined building envelopes. An artificial intelligence (AI)-assisted pipe routing module then generates orthogonal, collision-free routing paths, allowing the user to select either an A* search-based method or an Ant Colony Optimization (ACO)-based method. All outputs are authored natively in IFC format, relying on open-source technologies and standardized formats in order to ensure extensibility and eliminate proprietary software dependencies. The proposed framework is validated on two representative pressurized-water reactor (PWR)-based case studies, for which it autonomously generates IFC-compliant 3D models in minutes, drastically reducing workflows that typically require hours of manual effort. The generated model demonstrates topologically correct equipment placement, physically plausible spatial relationships, and collision-free pipe routing consistent with known PWR loop configurations. This work represents a foundational step toward digital engineering for nuclear facility preliminary design, with future ongoing development targeting design code compliance and expanded system complexity.

97 - MATHEMATICS AND COMPUTING↗
NASA NTRS2012

A Large-Scale Design Integration Approach Developed in Conjunction with the Ares Launch Vehicle Program

This paper presents a method for performing large-scale design integration, taking a classical 2D drawing envelope and interface approach and applying it to modern three dimensional computer aided design (3D CAD) systems. Today, the paradigm often used when performing design integration with 3D models involves a digital mockup of an overall vehicle, in the form of a massive, fully detailed, CAD assembly; therefore, adding unnecessary burden and overhead to design and product data management processes. While fully detailed data may yield a broad depth of design detail, pertinent integration features are often obscured under the excessive amounts of information, making them difficult to discern. In contrast, the envelope and interface method results in a reduction in both the amount and complexity of information necessary for design integration while yielding significant savings in time and effort when applied to today's complex design integration projects. This approach, combining classical and modern methods, proved advantageous during the complex design integration activities of the Ares I vehicle. Downstream processes, benefiting from this approach by reducing development and design cycle time, include: Creation of analysis models for the Aerodynamic discipline; Vehicle to ground interface development; Documentation development for the vehicle assembly.

Redmon, John W.↗
NASA NTRS2008

Review, Selection and Installation of a Rapid Prototype Machine

The objective of this paper is to impress upon the reader the benefits and advantages of investing in rapid prototyping (additive manufacturing) technology thru the procurement of one or two new rapid prototyping machines and the creation of a new Prototype and Model Lab at the Kennedy Space Center (KSC). This new resource will be available to all of United Space Alliance, LLC (USA), enabling engineers from around the company to pursue a more effective means of communication and design with our co-workers, and our customer, the National Aeronautics and Space Administration (NASA). The Rapid Protoyping/3D printing industry mirrors the transition the CAD industry made several years ago, when companies were trying to justify the expenditure of converting to a 3D based system from a 2D based system. The advantages of using a 3D system seemed to be outweighed by the cost it would take to convert not only legacy 2D drawings into 3D models but the training of personnel to use the 3D CAD software. But the reality was that when a 3D CAD system is employed, it gives engineers a much greater ability to conceive new designs and the ability to engineer new tools and products much more effectively. Rapid Prototyping (RP) is the name given to a host of related technologies that are used to fabricate physical objects directly from Computer Aided Design (CAD) data sources. These methods are generally similar to each other in that they add and bond materials in a layer wise-fashion to form objects, instead of machining away material. The machines used in Rapid Prototyping are also sometimes referred to as Rapid Manufacturing machines due to the fact that some of the parts fabricated in a RP machine can be used as the finished product. The name "Rapid Prototyping" is really a misnomer. It is much more than prototypes and it is not always rapid.

McEndree, Caryl↗
DOE OSTI2020

Virtual/Augmented Reality (VR/AR):Tools for Nuclear Training, Operations and Design

Introduction: Problems: Mistakes in the field due to a lack of information (Ex: Pump repair failure rate 50%); Avoidable exposure due to multiple employees for procedure adherence and monitoring; Debates over 2D drawings can be more easily resolved. Purpose: Training: Employees can be trained more effectively. Operating: Operations can be carried out more efficiently with fewer workers required with AR. Design Review: Pull the designers and designs into VR. Design: VR: Unreal Engine, Unity, Custom. AR: HoloLens: Unity, Custom - DirectX 12.

42 ENGINEERING↗
DOE OSTI2014

Reference Model 2 Scaled Geometry (RM2: River Current Turbine)

Contains the Reference Model 2 (RM2) scaled scale geometry files of the River Current Turbine, 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 RM2 device was tested at the Saint Anthony Falls Laboratory (SAFL) at the University of Minnesota flume. The scale of the geometries included in this submission are at a 1:15 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 2 (RM2) is a variable speed dual-rotor cross-flow river turbine that is deployed at the water?s surface. It was designed for deployment at a reference site modeled after a reach in the Mississippi River near Baton Rouge, Louisiana. The rotors are anchored to a two-pontoon vessel platform. Surface deployment of the turbine minimizes the handling requirements during deployment and recovery and reduces overall costs for all O&M activities, including allowing for easy access to the power conversion chain (PCC). The design (two rotors per platform) also reduces the environmental footprint and associated environmental compliance costs.

16 TIDAL AND WAVE POWER↗
DOE OSTI2018

How Much Chemistry Does a Deep Neural Network Need to Know to Make Accurate Predictions?

In the last few years, we have seen the rise of deep learning applications in a broad range of computational chemistry research problems. Using human-engineered chemical features, such as molecular descriptors and fingerprints, deep learning models have shown similar, if not better performance that most traditional machine learning algorithms. Recently, we reported on the development of Chemception, a deep convolutional neural network (CNN) architecture for general-purpose small molecule property prediction. On average, Chemception matched the performance of expert-developed QSAR/QSPR models trained on chemical features (molecular fingerprints), despite that it was trained on just 2D images of molecular drawings with minimal chemical information. Here, we investigate the effects of systematically removing and adding basic chemical information to the image channels of the 2D images used to train Chemception. By augmenting our images with only 3 additional basic chemical information, we demonstrate the improvement of Chemception performance – that it is now more accurate than contemporary deep learning models trained on ECFP fingerprints for the prediction of toxicity, activity and solvation free energy, as well as physics-based free energy simulation methods for computing solvation properties. By altering the chemical information content in the image channels, and examining the resulting performance of Chemception, we also identify to two different “learning patterns” in toxicity/activity as compared to solvation free energy, and it parallels the fundamental differences in contemporary chemistry research for predicting toxicity/activity and solvation free energy.

Artificial Intelligence, Cheminformatics, Computat↗
DOE OSTI2014

Testing for Controlled Rapid Pressurization

Borehole W1 is a NQ core hole drilled at our test site in Socorro. The rock is rhyolite. Borehole W1 which was used to test gas-gas explosive mixtures is 55 feet deep with casing (pinkish in the drawing) set to 35 feet. The model is a representation of the borehole and the holes we cored around the central borehole after the test. The brown colored core holes showed dye when we filled W1 with water and slightly pressurized it. This indicates there was some path between W1 and the colored core hole. The core holes are shown to their TD in the drawing. The green plane is a fracture plane which we believe is the result of the explosions of the gas mixture in W1. Data resource is a 2D .pdf Solid Works Drawing of borehole W1.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

How quantum phases on cylinders approach the two-dimensional limit

We consider the properties of $T$ = $0$ quantum phases of matter - especially superconducting and analogous spin-liquid phases - on infinite cylinders of width $L$ ⊥ and analyze the ways in which the $L$ ⊥ → ∞ (two-dimensional, 2d) limit is approached. This problem is interesting in its own right but is particularly important in the context of extrapolating accessible density matrix renormalization group (DMRG) results on model strongly interacting problems to the desired 2d limit. In conclusion, various methods for drawing firm conclusions about the quantum phases in 2d from relatively small $L$ ⊥ results are illustrated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Three dimensional magnetohydrodynamic simulation of linearly polarised Alfven wave dynamics in Arnold-Beltrami-Childress magnetic field

Previous studies (e.g., Malara et al., Astrophys. J. 533, 523 (2000)) considered small-amplitude Alfven wave (AW) packets in Arnold-Beltrami-Childress (ABC) magnetic field using WKB approximation. They draw a distinction between 2D AW dissipation via phase mixing and 3D AW dissipation via exponentially divergent magnetic field lines. In the former case, AW dissipation time scales as S{sup 1∕3} and in the latter as log(S), where S is the Lundquist number. In this work, linearly polarised Alfven wave dynamics in ABC magnetic field via direct 3D magnetohydrodynamic (MHD) numerical simulation is studied for the first time. A Gaussian AW pulse with length-scale much shorter than ABC domain length and a harmonic AW with wavelength equal to ABC domain length are studied for four different resistivities. While it is found that AWs dissipate quickly in the ABC field, contrary to an expectation, it is found the AW perturbation energy increases in time. In the case of the harmonic AW, the perturbation energy growth is transient in time, attaining peaks in both velocity and magnetic perturbation energies within timescales much smaller than the resistive time. In the case of the Gaussian AW pulse, the velocity perturbation energy growth is still transient in time, attaining a peak within few resistive times, while magnetic perturbation energy continues to grow. It is also shown that the total magnetic energy decreases in time and this is governed by the resistive evolution of the background ABC magnetic field rather than AW damping. On contrary, when the background magnetic field is uniform, the total magnetic energy decrease is prescribed by AW damping, because there is no resistive evolution of the background. By considering runs with different amplitudes and by analysing the perturbation spectra, possible dynamo action by AW perturbation-induced peristaltic flow and inverse cascade of magnetic energy have been excluded. Therefore, the perturbation energy growth is attributed to a new instability. The growth rate appears to be dependent on the value of the resistivity and the spatial scale of the AW disturbance. Thus, when going beyond WKB approximation, AW damping, described by full MHD equations, does not guarantee decrease of perturbation energy. This has implications for the MHD wave plasma heating in exponentially divergent magnetic fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1995

Marshall Space Flight Center surface modeling and grid generation applications

The Solid Rocket Motors (SRM) used by NASA to propel the Space Shuttle employ gimballing nozzles as a means for vehicular guidance during launch and ascent. Gimballing a nozzle renders the pressure field of the exhaust gases nonaxisymmetric. This has two effects: (1) it exerts a torque and side load on the nozzle; and (2) the exhaust gases flow circumferentially in the aft-dome region, thermally loading the flexible boot, case-to-nozzle joint, and casing insulation. The use of CFD models to simulate such flows is imperative in order to assess SRM design. The grids for these problems were constructed by obtaining information from drawings and tabulated coordinates. The 2D axisymmetric grids were designed and generated using the EZ-Surf and GEN2D surface and grid generation codes. These 2D grids were solved using codes such as FDNS, GASP, and MINT. These axisymmetric grids were rotated around the center-line to form 3D nongimballed grids. These were then gimballed around the pivot point and the gaps or overlaps resurfaced to obtain the final domains, which contained approximately 366,000 grid points. The 2D solutions were then rotated and manipulated as appropriate for geometry and used as initial guesses in the final solution. The analyses were used in answering questions about flight criteria.

Williams, Robert W.↗
DOE OSTI2025

Boosting Hydrogenation of CO 2 Using Cationic Cu Atomically Dispersed on 2D γ‐Al 2 O 3 Nanosheets

The continuous development of novel catalytic approaches is crucial for advancing efficient CO 2 hydrogenation processes. Drawing inspiration from single-atom catalysis and 2D materials, we designed a new 2D single-atom catalyst with excellent thermal stability by thermally treating Cu-adsorbed γ-AlOOH nanosheets, which yielded a Cu/γ-Al 2 O 3 catalyst with high activity in the hydrogenation of CO 2 -yielding methanol (CH 3 OH), dimethyl ether (DME), and CO as products. The active Cu sites are monodispersed and highly stable due to their cationic oxidation state and their substitution for pentacoordinated aluminum (Al P ) sites on particle surfaces. This study demonstrates an efficient approach for achieving a high CO 2 hydrogenation rate (30.45 mol mol −1 h −1 ) using a catalyst system that lacks metallic Cu centers, traditionally considered essential for H₂ dissociation, and employs what was previously thought to be an inert metal oxide (γ-Al 2 O 3 ) for CO and CH 3 OH production. Ongoing mechanistic studies aim to elucidate the synergy between cationic Cu single atoms and γ-Al 2 O 3 , a Lewis acid support, in facilitating hydrogen (H 2 ) activation and methanol formation.

2D catalyst↗
DOE OSTI2015

Dye aggregation identified by vibrational coupling using 2D IR spectroscopy

We report that a model dye, Re(CO){sub 3}(bypy)CO{sub 2}H, aggregates into clusters on TiO{sub 2} nanoparticles regardless of our preparation conditions. Using two-dimensional infrared (2D IR) spectroscopy, we have identified characteristic frequencies of monomers, dimers, and trimers. A comparison of 2D IR spectra in solution versus those deposited on TiO{sub 2} shows that the propensity to dimerize in solution leads to higher dimer formation on TiO{sub 2}, but that dimers are formed even if there are only monomers in solution. Aggregates cannot be washed off with standard protocols and are present even at submonolayer coverages. We observe cross peaks between aggregates of different sizes, primarily dimers and trimers, indicating that clusters consist of microdomains in close proximity. 2D IR spectroscopy is used to draw these conclusions from measurements of vibrational couplings, but if molecules are close enough to be vibrationally coupled, then they are also likely to be electronically coupled, which could alter charge transfer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

SU-G-JeP3-07: Real-Time Image Guided Radiation Therapy for Heterotopic Ossification in Patients After Hip Replacement

Purpose: To demonstrate the feasibility of using CBCT in a real-time image guided radiation therapy (IGRT) for single fraction heterotopic ossification (HO) in patients after hip replacement. In this real-time procedure, all steps, from simulation, imaging, planning to treatment delivery, are performed at the treatment unit in one appointment time slot. This work promotes real-time treatment to create a paradigm shift in the single fraction radiation therapy. Methods: An integrated real-time IGRT for HO was developed and tested for radiation treatment of heterotopic ossification for patient after hip replacement. After CBCT images are acquired at the linac, and sent to the treatment planning system, the physician determines the field and/or draws a block. Subsequently, a simple 2D AP/PA plan with prescription of 700 cGy is created on-the-fly for physician to review. Once the physician approves the plan, the patient is treated on the same simulation position. This real-time treatment requires the team of attending physician, physicist, therapists, and dosimetrist to work in harmony to achieve all the steps in a timely manner. Results: Ten patients have been treated with this real-time treatment, having the same beams arrangement treatment plan and prescription as our clinically regular CT-based 2D plans. The average time for these procedures are 52.9 ±10.7 minutes from the time patient entered the treatment room until s/he exited, and 37.7 ±8.6 minutes from starting CBCT until last beam delivered. Conclusion: The real-time IGRT for HO treatment has been tested and implemented to be a clinically accepted procedure. This one-time appointment greatly enhances the waiting time, especially when patients in high level of pain, and provides a convenient approach for the whole clinical staff. Other disease sites will be also tested with this new technology.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1991

A synthetic seismicity model for the Middle America Trench

A novel iterative technique, based on the concept of fault segmentation and computed using 2D static dislocation theory, for building models of seismicity and fault interaction which are physically acceptable and geometrically and kinematically correct, is presented. The technique is applied in two steps to seismicity observed at the Middle America Trench. The first constructs generic models which randomly draw segment strengths and lengths from a 2D probability distribution. The second constructs predictive models in which segment lengths and strengths are adjusted to mimic the actual geography and timing of large historical earthquakes. Both types of models reproduce the statistics of seismicity over five units of magnitude and duplicate other aspects including foreshock and aftershock sequences, migration of foci, and the capacity to produce both characteristic and noncharacteristic earthquakes. Over a period of about 150 yr the complex interaction of fault segments and the nonlinear failure conditions conspire to transform an apparently deterministic model into a chaotic one.

Ward, Steven N.↗
DOE OSTI2020

Efficient Energy Funneling in Quasi‐2D Perovskites: From Light Emission to Lasing

Abstract Quasi‐2D Ruddlesden–Popper halide perovskites with a large exciton binding energy, self‐assembled quantum wells, and high quantum yield draw attention for optoelectronic device applications. Thin films of these quasi‐2D perovskites consist of a mixture of domains having different dimensionality, allowing energy funneling from lower‐dimensional nanosheets (high‐bandgap domains) to 3D nanocrystals (low‐bandgap domains). High‐quality quasi‐2D perovskite (PEA) 2 (FA) 3 Pb 4 Br 13 films are fabricated by solution engineering. Grazing‐incidence wide‐angle X‐ray scattering measurements are conducted to study the crystal orientation, and transient absorption spectroscopy measurements are conducted to study the charge‐carrier dynamics. These data show that highly oriented 2D crystal films have a faster energy transfer from the high‐bandgap domains to the low‐bandgap domains (<0.5 ps) compared to the randomly oriented films. High‐performance light‐emitting diodes can be realized with these highly oriented 2D films. Finally, amplified spontaneous emission with a low threshold 4.16 µJ cm −2 is achieved and distributed feedback lasers are also demonstrated. These results show that it is important to control the morphology of the quasi‐2D films to achieve efficient energy transfer, which is a critical requirement for light‐emitting devices.

Lei, Lei↗
DOE OSTI2016

3D camera assisted fully automated calibration of scanning laser Doppler vibrometers

Scanning laser Doppler vibrometers (LDV) are used to measure full-field vibration shapes of products and structures. In most commercially available scanning laser Doppler vibrometer systems the user manually draws a grid of measurement locations on a 2D camera image of the product. The determination of the correct physical measurement locations can be a time consuming and diffcult task. In this paper we present a new methodology for product testing and quality control that integrates 3D imaging techniques with vibration measurements. This procedure allows to test prototypes in a shorter period because physical measurements locations will be located automatically. The proposed methodology uses a 3D time-of-flight camera to measure the location and orientation of the test-object. The 3D image of the time-of-flight camera is then matched with the 3D-CAD model of the object in which measurement locations are pre-defined. A time of flight camera operates strictly in the near infrared spectrum. To improve the signal to noise ratio in the time-of-flight measurement, a time-of-flight camera uses a band filter. As a result of this filter, the laser spot of most laser vibrometers is invisible in the time-of-flight image. Therefore a 2D RGB-camera is used to find the laser-spot of the vibrometer. The laser spot is matched to the 3D image obtained by the time-of-flight camera. Next an automatic calibration procedure is used to aim the laser at the (pre)defined locations. Another benefit from this methodology is that it incorporates automatic mapping between a CAD model and the vibration measurements. This mapping can be used to visualize measurements directly on a 3D CAD model. Secondly the orientation of the CAD model is known with respect to the laser beam. This information can be used to find the direction of the measured vibration relatively to the surface of the object. With this direction, the vibration measurements can be compared more precisely with numerical experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Tunable and laser-reconfigurable 2D heterocrystals obtained by epitaxial stacking of crystallographically incommensurate Bi 2 Se 3 and MoS 2 atomic layers

Vertical stacking is widely viewed as a promising approach for designing advanced functionalities using two-dimensional (2D) materials. Combining crystallographically commensurate materials in these 2D stacks has been shown to result in rich new electronic structure, magnetotransport, and optical properties. In this context, vertical stacks of crystallographically incommensurate 2D materials with well-defined crystallographic order are a counterintuitive concept and, hence, fundamentally intriguing. We show that crystallographically dissimilar and incommensurate atomically thin MoS 2 and Bi 2 Se 3 layers can form rotationally aligned stacks with long-range crystallographic order. Our first-principles theoretical modeling predicts heterocrystal electronic band structures, which are quite distinct from those of the parent crystals, characterized with an indirect bandgap. Experiments reveal striking optical changes when Bi 2 Se 3 is stacked layer by layer on monolayer MoS 2 , including 100% photoluminescence (PL) suppression, tunable transmittance edge (1.1→0.75 eV), suppressed Raman, and wide-band evolution of spectral transmittance. Disrupting the interface using a focused laser results in a marked the reversal of PL, Raman, and transmittance, demonstrating for the first time that in situ manipulation of interfaces can enable “reconfigurable” 2D materials. We demonstrate submicrometer resolution, “laser-drawing” and “bit-writing,” and novel laser-induced broadband light emission in these heterocrystal sheets.

36 MATERIALS SCIENCE↗
DOE OSTI2015

TWO-DIMENSIONAL CORE-COLLAPSE SUPERNOVA MODELS WITH MULTI-DIMENSIONAL TRANSPORT

We present new two-dimensional (2D) axisymmetric neutrino radiation/hydrodynamic models of core-collapse supernova (CCSN) cores. We use the CASTRO code, which incorporates truly multi-dimensional, multi-group, flux-limited diffusion (MGFLD) neutrino transport, including all relevant O(v/c) terms. Our main motivation for carrying out this study is to compare with recent 2D models produced by other groups who have obtained explosions for some progenitor stars and with recent 2D VULCAN results that did not incorporate O(v/c) terms. We follow the evolution of 12, 15, 20, and 25 solar-mass progenitors to approximately 600 ms after bounce and do not obtain an explosion in any of these models. Though the reason for the qualitative disagreement among the groups engaged in CCSN modeling remains unclear, we speculate that the simplifying ''ray-by-ray'' approach employed by all other groups may be compromising their results. We show that ''ray-by-ray'' calculations greatly exaggerate the angular and temporal variations of the neutrino fluxes, which we argue are better captured by our multi-dimensional MGFLD approach. On the other hand, our 2D models also make approximations, making it difficult to draw definitive conclusions concerning the root of the differences between groups. We discuss some of the diagnostics often employed in the analyses of CCSN simulations and highlight the intimate relationship between the various explosion conditions that have been proposed. Finally, we explore the ingredients that may be missing in current calculations that may be important in reproducing the properties of the average CCSNe, should the delayed neutrino-heating mechanism be the correct mechanism of explosion.

79 ASTRONOMY AND ASTROPHYSICS↗