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Results for “Projective geometries”

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

Primitive to conventional geometry projection for efficient phonon transport calculations

Abstract The primitive Wigner-Seitz cell and corresponding first Brillouin zone (FBZ) are typically used in calculations of lattice vibrational and transport properties as they contain the smallest number of degrees of freedom and thus have the cheapest computational cost. However, in complex materials, the FBZ can take on irregular shapes where lattice symmetries are not apparent. Thus, conventional cells (with more atoms and regular shapes) are often used to describe materials, though dynamical and transport calculations are more expensive. Here we discuss an efficient anharmonic lattice dynamic method that maps conventional cell dynamics to primitive cell dynamics based on translational symmetries. Such symmetries have not been utilized in typical lattice dynamical calculations. This leads to phase interference conditions that act like conserved quantum numbers and a conservation rule for phonon scattering that is hidden in conventional dynamics which significantly reduces the computational cost. We demonstrate this method for phonon transport in a variety of materials with inputs from first-principles calculations and attribute its efficiency to reduced scattering phase space and fewer summations in scattering matrix element calculations.

36 MATERIALS SCIENCE↗

LivermorE Al Projector for Computed Tomography Tasks

With recent computed tomography (CT) efforts using Artificial Intelligence (AI) and Deep Learning (DL)techniques, there is a strong need for differentiable forward projection models that can be integrated into existing DL frameworks. We developed a pytorch-based package library providing differentiable forward and back projection functions and classes to facilitate forward and back propagation of CT operations in the training procedure. This forward projectors support three CT projection geometries: cone, parallel and modular beams. This package can be used with both CPU and GPU with CUDA.

Kim, Hyojin↗

Enabling the broader adoption of fusion simulation on complex geometry

This project addressed a key barrier to advanced fusion and nuclear simulation: the difficulty of performing high-fidelity Monte Carlo neutronics directly on complex, real-world CAD geometry. Traditional workflows require engineers to rebuild CAD models as simplified constructive solid geometry, a time-consuming and error-prone process that limits design iteration and broader adoption of simulation tools. The goal of this Phase I SBIR was to make CAD-based neutronics practical, accessible, and robust for industrial and research users. During the project, Coreform significantly enhanced the Direct Accelerated Geometry Monte Carlo (DAGMC) workflow and fully integrated it into Coreform Cubit as a first-class capability. Major achievements include optimized material assignment and surface meshing workflows, substantial performance improvements to geometry imprinting and preparation, native export of DAGMC models, and new visualization tools to support OpenMC source definition and lost-particle debugging. Coreform also expanded Cubit’s capabilities as a full OpenMC preprocessor, including the ability to convert OpenMC constructive solid geometry models back into CAD for visualization, multiphysics coupling, and debugging. In collaboration with Argonne National Laboratory, the project delivered comprehensive new DAGMC documentation and training materials, transforming DAGMC from a research-oriented tool into a production-ready workflow. Results were disseminated through tutorials, conference training, and multiple well-attended webinars demonstrating integrated CAD-based neutronics and multiphysics workflows. Overall, this project demonstrated that high-fidelity Monte Carlo simulations can be performed directly on complex CAD geometry, reducing setup time, improving usability, and enabling faster, more informed design decisions for fusion and nuclear energy systems.

42 ENGINEERING↗

High resolution mobility spectrometry in a co-axial platform

Ion mobility spectrometry is an analytical technique that separate ions in the gas phase based on their interaction with a neutral buffer gas. Ion mobility spectrometry performs separations quickly (typically less than a second) and the ion mobilities are very reproducible across different laboratories. This project aimed at evaluating the performance of a new ion mobility device. The new device relies on conducting ion mobility separation in a curved geometry. The project explored the operation landscape of the device using ion trajectory simulations then fabricated and experimentally demonstrated the device's performance. Ion trajectory simulations on a set of tetraalkylammonium and phosphazene ions indicate that ions traveling a curved path length undergo mobility separation that is similar to a straight path. The ion mobility resolution of the curved device was found to be similar to that of a straight path of a similar length. The experimental validation of the new device confirmed the device's ability to separate ions according to their mobilities. Sets of mixtures (tetraalkylammonium ions, phosphazene ions, and peptide ions) were evaluated for separation and transmission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Implementation of ACTS into sPHENIX Track Reconstruction

Abstract sPHENIX is a high energy nuclear physics experiment under construction at the Relativistic Heavy Ion Collider at Brookhaven National Laboratory (BNL). The primary physics goals of sPHENIX are to study the quark-gluon-plasma, as well as the partonic structure of protons and nuclei, by measuring jets, their substructure, and heavy flavor hadrons in $$p$$ p $$+$$ + $$p$$ p , p + Au, and Au + Au collisions. sPHENIX will collect approximately 300 PB of data over three run periods, to be analyzed using available computing resources at BNL; thus, performing track reconstruction in a timely manner is a challenge due to the high occupancy of heavy ion collision events. The sPHENIX experiment has recently implemented the A Common Tracking Software (ACTS) track reconstruction toolkit with the goal of reconstructing tracks with high efficiency and within a computational budget of 5 s per minimum bias event. This paper reports the performance status of ACTS as the default track fitting tool within sPHENIX, including discussion of the first implementation of a time projection chamber geometry within ACTS.

97 MATHEMATICS AND COMPUTING↗

Twinning microstructure in the solid-phase epitaxial crystallization of BaTiO 3

Amorphous BaTiO 3 layers deposited on SrTiO 3 (001) substrates at room temperature were subsequently crystallized using solid phase epitaxy (SPE). Heating an initially amorphous BaTiO 3 layer in air at 650 °C for 3 h resulted in crystallization with components in two distinct crystallographic orientation relationships with respect to the substrate. Part of the volume of the BaTiO 3 layer crystallized in a cube-on-cube relationship with the substrate. Other volumes crystallized in four variants of a 70.5° rotation about $\langle$110$\rangle$, resulting in a $\langle$221$\rangle$ surface normal in each case. Each of these four variants forms a Σ = 3 coincident site lattice with respect to the SrTiO 3 substrate and the cube-on-cube oriented BaTiO 3 . Heating for the same duration and temperature in a reducing gas atmosphere resulted in the formation of polycrystalline BaTiO 3 with no preferred crystallographic orientation. The dependence on the gas atmosphere indicates that it may be possible to tune the annealing time, temperature, and atmosphere to produce a single crystalline BTO on STO by SPE or produce a desired distribution of orientations.

36 MATERIALS SCIENCE↗

blastforge

BlastForge is a python module meant to aid reinforcement learning research for geometry optimization research projects. The code is built to use PyTorch as a backend and will contain several model architectures and reinforcement learning training loops as well as helper python functions to evaluate a model’s performance during and after training. BlastForge is meant to be a small, focused python project to study moderate-complexity geometry optimization problems

Hickmann, Kyle [Los Alamos National Laboratory]↗

Physically rigorous reduced-order flow models of fractured subsurface environments without explosive computational cost

Fractured media models comprise discontinuities of multiple lengths (e.g. fracture lengths and apertures, wellbore area) that fall into the relatively insignificant length scales spanning millimeter-scale fractures to centimeter-scale wellbores in comparison to the extensions of the field of interest, and challenge the conventional discretization methods imposing highly-fine meshing and formidably large numerical cost. By utilizing the recent developments in the finite element analysis of electromagnetics that allow to represent material properties on a hierarchical geometry, this project develops computational capabilities to model fluid flow, heat conduction, transport and induced polarization in large-scale geologic environments that possess geometrically-complex fractures and man-made infrastructures without explosive computational cost. The computational efficiency and robustness of this multi-physics modeling tool are demonstrated by considering various highly-realistic complex geologic environments that are common in many energy and national security related engineering problems.

42 ENGINEERING↗

Proposed Analytical Methods for Determining Filter Media Properties

High Efficiency Particulate Air (HEPA) filters, commonly used in nuclear filtration applications, are an integral part of the waste management processes in nuclear plants. HEPA filters are 99.97% efficient filtration devices characterized by their high resistance to air flow, or pressure drop. From theoretical models, the initial pressure drop across a clean filter is proven to be a function of the filter media fiber diameters and porosity of the media. These filter properties are relatively difficult to obtain with traditional manual methods; therefore, there is a need to develop analytical methods to find the fiber diameter and porosity to determine the pressure drop. Typically, these values can be found by substituting a calculated representative value based upon measured values, such as equivalent fiber diameter based upon a clean pressure drop. However, these values may also be directly recorded and measured by incorporating Scanning Electron Microscope (SEM) image analysis and other measurement methods to analyze the filter media and determine its physical properties without the need for media testing. DiameterJ, an open source Java plug-in, used with ImageJ, can process images of filter media taken by an SEM to find statistical data such as mean fiber diameter and porosity. To produce the raw data, SEM images of two filter media type samples are taken and segmented in DiameterJ using the traditional and statistical region merging segmentation algorithms. Manual segmentation is necessary after the initial segmentation by the algorithms as the images tend to be too complex for the algorithms to output with the necessary accuracy. However, complications exist in the manual segmentation process as these methods can be time intensive and prone to the individual bias of the user. This in turn can skew the final mean fiber diameter result, and lead to either an over or under prediction of the pressure drop. It was also discovered that the porosity data produced by DiameterJ is inaccurate, as the SEM analyzes the three-dimensional filter media by projecting its geometry onto a plane and analyzing it as a two-dimensional binary image. Thus, the porosity is artificially inflated through the segmentation process, rendering this result incorrect. Alternatively, density determination, gravimetric analysis, and thickness testing of the filter media is collectively used to determine the filter fiber porosity. Together, the SEM image analysis and analytical lab methods produce results through direct measurements which allow for the prediction of the initial pressure drop from clean filter media without the need for prior media testing to collect pressure data. By improving upon this proposed analytical method in the future, there is potential to streamline the process of finding these filter properties into a more direct methodology for determining the pressure drop across HEPA filters.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Integrability and Symmetries of Classical Geometries

This research project had two major objectives: advancement in constructing quantum theory of gravity and analytical understanding of strongly--coupled systems. The project contributed to advancing quantum theory of gravity by studying dynamics of black holes. A comprehensive analysis of excitations of rotating black holes in arbitrary dimensions has been performed, all solutions of Maxwell's equations as well as their generalizations to arbitrary p-forms in such backgrounds have been constructed, and a significant progress towards extension of these results to gravitational waves has been made. The project also advanced theoretical understanding of strongly-coupled theories by analyzing properties of exactly-solvable (integrable) models. A new method for solving dynamical equations for various fields in a large class of backgrounds without isometries has been developed, and this technique was used to extract spectra of supergravity modes in several integrable string theories. The analytical structure of large classes of integrable string theories has also been analyzed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Wire-cell 3D pattern recognition techniques for neutrino event reconstruction in large LArTPCs: algorithm description and quantitative evaluation with MicroBooNE simulation

Wire-Cell is a 3D event reconstruction package for liquid argon time projection chambers. Through geometry, time, and drifted charge from multiple readout wire planes, 3D space points with associated charge are reconstructed prior to the pattern recognition stage. Pattern recognition techniques, including track trajectory and dQ/dx (ionization charge per unit length) fitting, 3D neutrino vertex fitting, track and shower separation, particle-level clustering, and particle identification are then applied on these 3D space points as well as the original 2D projection measurements. A deep neural network is developed to enhance the reconstruction of the neutrino interaction vertex. Compared to traditional algorithms, the deep neural network boosts the vertex efficiency by a relative 30% for charged-current ν e interactions. Therefore, this pattern recognition achieves 80–90% reconstruction efficiencies for primary leptons, after a 65.8% (72.9%) vertex efficiency for charged-current ν e (ν μ ) interactions. Based on the resulting reconstructed particles and their kinematics, we also achieve 15-20% energy reconstruction resolutions for charged-current neutrino interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The causal relationship between melt pool geometry and energy absorption measured in real time during laser-based manufacturing

During laser powder bed fusion additive manufacturing, laser power absorption is governed by a pro -tean pool of molten metal that can present as a highly reflective surface, a deeply absorbing cavity, or some amalgamation thereof. These melt pool dynamics have been linked to defect creation, porosity, and surface finish quality. Although these are therefore critical for determining final part quality, their in-stantaneous influence on laser absorption have only been explored through simulation. To date, direct real-time observations have been elusive due to the locally extreme environment. In this work, we fo-cus a laser on Ti-6Al-4V powder and bare plate while quantifying the time-dependent, absolute energy absorption by monitoring omnidirectional backscattered laser intensity. We also simultaneously record the projective melt pool geometries with high-speed synchrotron x-ray imaging. We find that laser ab-sorption strongly reflects the stability of the vapor depression over a wide range of applied laser powers, oxygen content in the processing atmosphere, and with the presence of powder. During laser scanning of a powder bed surface, we find a significant absorption reduction after 400 mu s due to a dramatic change in the vapor depression aspect ratio-an event known to create porosity. Furthermore, as several industrial scan strate-gies necessitate thousands of these events during a build, their identification and control is of significant practical importance. Lastly, a normalized enthalpy model is demonstrated to be effective in quantifying the relationship between the laser absorption and cavity depth, even under transient conditions. In addi-tion to providing vital quantitative data for simulation calibration, the correlation of melt pool geometry with laser absorption during realistic processing conditions suggests the use of a total backscattered light detection system for real-time process control.

36 MATERIALS SCIENCE↗

Severe 21st-century ocean acidification in Antarctic Marine Protected Areas

Antarctic coastal waters are home to several established or proposed Marine Protected Areas (MPAs) supporting exceptional biodiversity. Despite being threatened by anthropogenic climate change, uncertainties remain surrounding the future ocean acidification (OA) of these waters. Here we present 21st-century projections of OA in Antarctic MPAs under four emission scenarios using a high-resolution ocean–sea ice–biogeochemistry model with realistic ice-shelf geometry. By 2100, we project pH declines of up to 0.36 (total scale) for the top 200 m. Vigorous vertical mixing of anthropogenic carbon produces severe OA throughout the water column in coastal waters of proposed and existing MPAs. Consequently, end-of-century aragonite undersaturation is ubiquitous under the three highest emission scenarios. Given the cumulative threat to marine ecosystems by environmental change and activities such as fishing, our findings call for strong emission-mitigation efforts and further management strategies to reduce pressures on ecosystems, such as the continuation and expansion of Antarctic MPAs.

54 ENVIRONMENTAL SCIENCES↗

Improving Milling Performance on New Computer Numerical Control Machining Centers with Machining Dynamics

This project is directed at improving the efficiency and productivity of the existing installed US machine tool base by correcting a fundamental system-wide flaw in the existing programmable machine tool infrastructure. The project will catalyze a shift from a geometry-only mindset to a geometry -and-machine -performance mindset. The project will lead to a dramatic overhaul of the existing ecosystem for programming of Computer Numerically Controlled (CNC) machine tools, and will result in energy savings, cost savings, reduced scrap, and improved competitiveness of US manufacturers.

42 ENGINEERING↗

Next Generation Co-Molded One-Piece Automotive Parts

The purpose of this project was to determine the feasibility of co-molding Class A Sheet Molding Compound (SMC), structural SMC, and continuous fiber prepreg materials to produce a single piece co-molded automotive part, such as a hood. The combination of the three molding materials and the incorporation of selective design features (ribs, flanges, corrugations) was expected to eliminate the need for inner reinforcement panels, significantly reducing tooling costs and simplifying the manufacturing process. A multi-material solution would also result in significant weight savings. The scope of this project included the material characterization of the three materials, development of cure and flow simulation models, and validation of the models against parts molded with different combinations of the materials on an 11”x11” plaque tool with rib features. The intent of this project was to apply the learnings obtained from co-molding a part with simplified geometry to a Phase 2 project that would produce a single piece hood, co-molded with the same materials. Resins from INEOS Composites were provided to IDI to produce SMC and continuous fiber prepregs. Purdue University and INEOS Composites characterized the rheological and curing behavior of the different materials as well as the mechanical properties of the co-molded parts. This data was used by Purdue University to create simulation models. Models were created to predict both flow patterns and predict mechanical properties of different laminate constructions in and around the ribs. Michigan State University - Corktown validated Purdue’s models by co-molding the three materials in different combinations on a tool containing rib features provided by Century Tool. The co-molded parts were evaluated against the simulation models by Purdue, Corktown and INEOS. The project team demonstrated the following: • The ability to obtain a cohesive co-molded structure made up of Class A SMC, Structural SMC, and continuous fiber prepreg. • The ability to obtain a co-molded part with a Class A surface • Modeling of flow and fiber orientation • Modeling to predict mechanical properties of multi-material co-molded structures The predicted flow behavior and fiber orientation from simulations were then compared with the molded samples. Exact local orientation state was difficult to compare between microscopy and flow simulation, but captured general trends. Multi-material flow behavior was generally modeled well with SMC materials, but the introduction of woven material sheets requires further model development. Purdue compared the predicted versus actual mechanical properties, and INEOS Composites evaluated the surface appearance of unpainted and painted co-molded parts. The models developed by Purdue demonstrated that the mechanical properties can be predicted for parts with varying material configurations. The resulting models can be applied to future co-molded part design, tooling design, and molding conditions.

36 MATERIALS SCIENCE↗

Verification of an improved equation-free projective integration method for neoclassical plasma-profile evolution in tokamak geometry

A brute-force, long-time gyrokinetic simulation of plasma profile evolution in magnetic fusion devices is not desirable due to large computational resource requirements and a possible accumulation of numerical error. The equation-free projective integration method of Keverekidis et al. [Commun. Math. Sci. 1(4), 715–762 (2003)] is one of the outstanding candidates in projecting micro-scale simulations to a longer timescale. However, its application to tokamak plasma has not been fruitful due to the appearance of spurious transient oscillations in the lifting process, which are present when the kinetic simulations are initialized with a simplified model distribution function and which make the kinetic simulations to deviate from the desired paths. In this work, a kinetically informed lifting algorithm is added to the equation-free projective integration method, which is then verified in the electrostatic gyrokinetic particle-in-cell code XGCa [R. Hager and C. S. Chang, Phys. Plasmas 23, 042503 (2016)] for a neoclassical ion heat transport problem with adiabatic electrons. This new lifting operator is demonstrated to control spurious transients, enabling an over four-times reduction in the overall computing time in the time-evolution of the ion temperature profile in an axisymmetric toroidal plasma. Further reduction in the computing time is found to be limited due to the stability properties of the linear least squares projective integrator.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Historic Submarine Landslides in the Northern Gulf of Mexico

This dataset provides a set of polygons representing the zone of depletion for historic submarine landslides (also referred to as mass transport deposits) within four regions of the US Exclusive Economic Zone in the northern Gulf of Mexico. Landslides were digitized by geologists and spatial scientists at the National Energy Technology Laboratory by visually interpreting landslide boundaries from a seismic-derived, high resolution bathymetric hillshade provided by the Bureau of Ocean and Energy Management (BOEM, 2017). A portion of the landslide features are derived from other spatial sources including the Seismic Water Anomalies dataset by BOEM (2016) as well as from McAdoo et al., 2000 and Twichell et al, 2005. The scale that landslides depletion areas can be interpreted at is limited by the spatial resolution of the gridded bathymetry, which is 12.192 meters (BOEM, 2017). For each landslide feature in the dataset, geometry metrics were calculated including geodesic area (km2) and geodesic perimeter (km) using the North America Albers Equal Area Conic projected coordinate system. The same geometry metrics were calculated for the four inventory regions.

DOE↗

2.1.2.403 - Fatigue and Structural Load Analysis and Control for Variable-Geometry Wave Energy Converters (VGWECs)

The VGWEC project will generate and disseminate the foundational knowledge enabling a paradigm shift in the design of wave energy converters (WECs) by adding a geometry control option on top of power-take-off load control. The variable-geometry modules (VGMs) provide control over a WEC's hydrodynamics that can emphasize power absorption or load shedding. Additional load shedding provided by the VGMs is expected to reduce the device structural mass and extend the sea state operating envelope, by limiting peak loading, both contributing towards reducing levelized cost of energy (LCOE) estimates.

hydrodynamic↗