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Results for “Geometric adaptivity”

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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

AP-Cloud: Adaptive Particle-in-Cloud method for optimal solutions to Vlasov–Poisson equation

We propose a new adaptive Particle-in-Cloud (AP-Cloud) method for obtaining optimal numerical solutions to the Vlasov–Poisson equation. Unlike the traditional particle-in-cell (PIC) method, which is commonly used for solving this problem, the AP-Cloud adaptively selects computational nodes or particles to deliver higher accuracy and efficiency when the particle distribution is highly non-uniform. Unlike other adaptive techniques for PIC, our method balances the errors in PDE discretization and Monte Carlo integration, and discretizes the differential operators using a generalized finite difference (GFD) method based on a weighted least square formulation. As a result, AP-Cloud is independent of the geometric shapes of computational domains and is free of artificial parameters. Efficient and robust implementation is achieved through an octree data structure with 2:1 balance. We analyze the accuracy and convergence order of AP-Cloud theoretically, and verify the method using an electrostatic problem of a particle beam with halo. Simulation results show that the AP-Cloud method is substantially more accurate and faster than the traditional PIC, and it is free of artificial forces that are typical for some adaptive PIC techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

TU-H-CAMPUS-JeP3-01: Towards Robust Adaptive Radiation Therapy Strategies

Purpose: To set up a framework combining robust treatment planning with adaptive reoptimization in order to maintain high treatment quality, to respond to interfractional variations and to identify those patients who will benefit the most from an adaptive fractionation schedule. Methods: We propose adaptive strategies based on stochastic minimax optimization for a series of simulated treatments on a one-dimensional patient phantom. The plan should be able to handle anticipated systematic and random errors and is applied during the first fractions. Information on the individual geometric variations is gathered at each fraction. At scheduled fractions, the impact of the measured errors on the delivered dose distribution is evaluated. For a patient that receives a dose that does not satisfy specified plan quality criteria, the plan is reoptimized based on these individual measurements using one of three different adaptive strategies. The reoptimized plan is then applied during future fractions until a new scheduled adaptation becomes necessary. In the first adaptive strategy the measured systematic and random error scenarios and their assigned probabilities are updated to guide the robust reoptimization. The focus of the second strategy lies on variation of the fraction of the worst scenarios taken into account during robust reoptimization. In the third strategy the uncertainty margins around the target are recalculated with the measured errors. Results: By studying the effect of the three adaptive strategies combined with various adaptation schedules on the same patient population, the group which benefits from adaptation is identified together with the most suitable strategy and schedule. Preliminary computational results indicate when and how best to adapt for the three different strategies. Conclusion: A workflow is presented that provides robust adaptation of the treatment plan throughout the course of treatment and useful measures to identify patients in need for an adaptive treatment strategy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Thermal conductivity of bulk nanostructured lead telluride

Thermal conductivity of lead telluride with embedded nanoinclusions was examined using Monte Carlo simulations with intrinsic phonon transport properties obtained from first-principles-based lattice dynamics. The nanoinclusion/matrix interfaces were set to completely reflect phonons to model the maximum interface-phonon-scattering scenario. The simulations with the geometrical cross section and volume fraction of the nanoinclusions matched to those of the experiment show that the experiment has already reached the theoretical limit of thermal conductivity. The frequency-dependent analysis additionally identifies that the thermal conductivity reduction is dominantly attributed to scattering of low frequency phonons and demonstrates mutual adaptability of nanostructuring and local disordering.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Test particle modeling of wave-induced energetic electron precipitation

A test particle computer model of the precipitation of radiation belt electrons is extended to compute the dynamic energy spectrum of transient electron fluxes induced by short-duration VLF wave packets traveling along the geomagnetic field lines. The model is adapted to estimate the count rate and associated spectrum of precipitated electrons that would be observed by satellite-based particle detectors with given geometric factor and orientation with respect to the magnetic field. A constant-frequency wave pulse and a lightning-induced whistler wave packet are used as examples of the stimulating wave signals. The effects of asymmetry of particle mirror heights in the two hemispheres and the atmospheric backscatter of loss cone particles on the computed precipitated fluxes are discussed.

Chang, H. C.↗
NASA NTRS2011

A Generalized Framework for Constrained Design Optimization of General Supersonic Configurations Using Adjoint Based Sensitivity Derivatives

The Aeronautics Research Mission Directorate (ARMD) sent out an NASA Research Announcement (NRA) for proposals soliciting research and technical development. The proposed research program was aimed at addressing the desired milestones and outcomes of ROA (ROA-2006) Subtopic A.4.1.1 Advanced Computational Methods. The second milestone, SUP.1.06.02 Robust, validated mesh adaptation and error quantification for near field Computational Fluid Dynamics (CFD), was addressed by the proposed research. Additional research utilizing the direct links to geometry through a CAD interface enabled by this work will allow for geometric constraints to be applied and address the final milestone, SUP2.07.06 Constrained low-drag supersonic aerodynamic design capability. The original product of the proposed research program was an integrated system of tools that can be used for the mesh mechanics required for rapid high fidelity analysis and for design of supersonic cruise vehicles. These Euler and Navier-Stokes volume grid manipulation tools were proposed to efficiently use parallel processing. The mesh adaptation provides a systematic approach for achieving demonstrated levels of accuracy in the solutions. NASA chose to fund only the mesh generation/adaptation portion of the proposal. So this report describes the completion of the proposed tasks for mesh creation, manipulation and adaptation as it pertains to sonic boom prediction of supersonic configurations.

Karman, Steve L., Jr.↗
DOE OSTI2022

Effect of coaxial nozzle wear on catchment efficiency in direct energy deposition built components

Laser based Direct Energy Deposition (DED) systems using metallic powder feedstock are recognized as a promising manufacturing method for their ability to shorten production cycles and create complex part geometries. Components are built by generating a melt pool with a high-power laser beam while material is coaxially injected and left to solidify. An impediment to large scale use of DED lies in poor powder catchment efficiency, the condition in which a portion of injected powder escapes the melt pool resulting in a ratio of decreased printed material mass to mass of supplied feedstock. The wear state of a coaxial nozzle on a DED system within a hybrid manufacturing machine tool has been observed to decrease catchment efficiency over time. Herein this study investigates this effect by adapting flow visualization techniques to an in-situ process monitoring format, the implementation of a Computational Fluid Dynamics (CFD) simulation, and deposition testing. Nozzle geometric defects due to wear are identified and categorized, and the impact of nozzle tip wear, resulting in axial tip reduction, on powder catchment efficiency is proven by multiple calculation methods. A linear correlation between catchment efficiency and powder stream diameter is identified, causing a 15–20% loss in efficiency sustained over incremental nozzle tip reduction up to − 1 mm. These results provide a foundation for further study of wear effects and Zero defect manufacturing solutions for powder fed DED systems.

42 ENGINEERING↗
DOE OSTI2015

Optimal ancilla-free Pauli+V circuits for axial rotations

We address the problem of optimal representation of single-qubit rotations in a certain unitary basis consisting of the so-called V gates and Pauli matrices. The V matrices were proposed by Lubotsky, Philips, and Sarnak [Commun. Pure Appl. Math. 40, 401–420 (1987)] as a purely geometric construct in 1987 and recently found applications in quantum computation. They allow for exceptionally simple quantum circuit synthesis algorithms based on quaternionic factorization. We adapt the deterministic-search technique initially proposed by Ross and Selinger to synthesize approximating Pauli+V circuits of optimal depth for single-qubit axial rotations. Our synthesis procedure based on simple SL{sub 2}(ℤ) geometry is almost elementary.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Sucrose transport inside the phloem: Bridging hydrodynamics and geometric characteristics

In plants, the delivery of the products of photosynthesis is achieved through a hydraulic system labeled as phloem. This semi-permeable plant tissue consists of living cells that contract and expand in response to fluid pressure and flow velocity fluctuations. The Münch pressure flow theory, which is based on osmosis providing the necessary pressure gradient to drive the mass flow of carbohydrates, is currently the most accepted model for such sucrose transport. When this hypothesis is combined with the conservation of fluid mass and momentum as well as sucrose mass, many simplifications must be invoked to mathematically close the problem and to resolve the flow. Here this study revisits such osmotically driven flows by developing a new two-dimensional numerical model in cylindrical coordinates for an elastic membrane and a concentration-dependent viscosity. It is demonstrated that the interaction between the hydrodynamic and externally supplied geometrical characteristic of the phloem has a significant effect on the front speed of sucrose transport. These results offer a novel perspective about the evolutionary adaptation of plant hydraulic traits to optimize phloem soluble compounds transport efficiency.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Atomic scale study of polar Lomer–Cottrell and Hirth lock dislocation cores in CdTe

Dislocation cores have long dominated the electronic and optical behaviors of semiconductor devices and detailed atomic characterization is required to further explore their effects. Miniaturization of semiconductor devices to nanometre scale also puts emphasis on a material's mechanical properties to withstand failure due to processing or operational stresses. Sessile junctions of dislocations provide barriers to propagation of mobile dislocations and may lead to work-hardening. The sessile Lomer–Cottrell and Hirth lock dislocations, two stable lowest elastic energy stair-rods, are studied in this paper. More specifically, using atomic resolution high-angle annular dark-field imaging and atomic-column-resolved X-ray spectrum imaging in an aberration-corrected scanning transmission electron microscope, dislocation core structures are examined in zinc-blende CdTe. A procedure is outlined for atomic scale analysis of dislocation junctions which allows determination of their identity with specially tailored Burgers circuits and also formation mechanisms of the polar core structures based on Thompson's tetrahedron adapted to reactions of polar dislocations as they appear in CdTe and other zinc-blende solids. Strain fields associated with the dislocations calculated via geometric phase analysis are found to be diffuse and free of `hot spots' that reflect compact structures and low elastic energy of the pure-edge stair-rods.

CdTe↗
DOE OSTI2014

SU-E-J-195: Quantification of Rotations and Deformations in Head and Heck Radiotherapy

Purpose: To quantify the magnitude of patient rotations and deformations over the course of head and neck radiotherapy. Methods: 45 CBCT images acquired weekly were selected retrospectively from 5 head and neck cancer patients. CBCT images were registered to the corresponding planning CT images using translation, rigid-body, and cubic B-spline deformable transformations. Elastix ( elastix.isi.uu.nl ), an open-source public domain registration algorithm, was used for all registrations with mutual information as similarity metric and gradient descent as optimization. Four-level multiresolution approach was employed with 2 cm B-spline grid spacing at the finest resolution. Registration qualities were visually verified. Rotational occurrences were quantified from the rigid-body registrations. The magnitude of deformations in planning target volumes (PTV) and organs were quantified from the deformation vector fields with rigid registrations as baseline. Results: The measured rotations (mean±std) were 1.0±1.0 deg, - 0.3±1.0 deg, and 0.1±0.8 deg in the sagittal, coronal, and axial plains respectively. The estimated magnitudes of deformations (mean±std) were 3.4±2.1 mm for PTVs, 2.9±1.2 mm for parotid glands, 2.8±1.2 mm for mandible, and 2.2±1.1 mm for spinal cord. The overall deformation in the body contour was 4.3±4.3 mm. The organ spatial deviation due to rotation was small and approximately 8.4% of that from deformations. Results varied among patients. Conclusion: Rotations occurred about 1.0 deg (1SD) in the H'N area. Daily geometric deviation of target volumes was considerable and mainly from tissue deformation than rotations. Proper safety margin is necessary for adequate target coverage. Online plan adaptation may mitigate the daily differences between the plan and actual patient poses. Partially supported by a grant from Varian Medical Systems, Palo Alto, CA.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

First evaluation of the feasibility of MLC tracking using ultrasound motion estimation

Purpose: To quantify the performance of the Clarity ultrasound (US) imaging system (Elekta AB, Stockholm, Sweden) for real-time dynamic multileaf collimator (MLC) tracking. Methods: The Clarity calibration and quality assurance phantom was mounted on a motion platform moving with a periodic sine wave trajectory. The detected position of a 30 mm hypoechogenic sphere within the phantom was continuously reported via Clarity’s real-time streaming interface to an in-house tracking and delivery software and subsequently used to adapt the MLC aperture. A portal imager measured MV treatment field/MLC apertures and motion platform positions throughout each experiment to independently quantify system latency and geometric error. Based on the measured range of latency values, a prostate stereotactic body radiation therapy (SBRT) delivery was performed with three realistic motion trajectories. The dosimetric impact of system latency on MLC tracking was directly measured using a 3D dosimeter mounted on the motion platform. Results: For 2D US imaging, the overall system latency, including all delay times from the imaging and delivery chain, ranged from 392 to 424 ms depending on the lateral sector size. For 3D US imaging, the latency ranged from 566 to 1031 ms depending on the elevational sweep. The latency-corrected geometric root-mean squared error was below 0.75 mm (2D US) and below 1.75 mm (3D US). For the prostate SBRT delivery, the impact of a range of system latencies (400–1000 ms) on the MLC tracking performance was minimal in terms of gamma failure rate. Conclusions: Real-time MLC tracking based on a noninvasive US input is technologically feasible. Current system latencies are higher than those for x-ray imaging systems, but US can provide full volumetric image data and the impact of system latency was measured to be small for a prostate SBRT case when using a US-like motion input.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2004

Adjoint Algorithm for CAD-Based Shape Optimization Using a Cartesian Method

Adjoint solutions of the governing flow equations are becoming increasingly important for the development of efficient analysis and optimization algorithms. A well-known use of the adjoint method is gradient-based shape optimization. Given an objective function that defines some measure of performance, such as the lift and drag functionals, its gradient is computed at a cost that is essentially independent of the number of design variables (geometric parameters that control the shape). More recently, emerging adjoint applications focus on the analysis problem, where the adjoint solution is used to drive mesh adaptation, as well as to provide estimates of functional error bounds and corrections. The attractive feature of this approach is that the mesh-adaptation procedure targets a specific functional, thereby localizing the mesh refinement and reducing computational cost. Our focus is on the development of adjoint-based optimization techniques for a Cartesian method with embedded boundaries.12 In contrast t o implementations on structured and unstructured grids, Cartesian methods decouple the surface discretization from the volume mesh. This feature makes Cartesian methods well suited for the automated analysis of complex geometry problems, and consequently a promising approach to aerodynamic optimization. Melvin et developed an adjoint formulation for the TRANAIR code, which is based on the full-potential equation with viscous corrections. More recently, Dadone and Grossman presented an adjoint formulation for the Euler equations. In both approaches, a boundary condition is introduced to approximate the effects of the evolving surface shape that results in accurate gradient computation. Central to automated shape optimization algorithms is the issue of geometry modeling and control. The need to optimize complex, "real-life" geometry provides a strong incentive for the use of parametric-CAD systems within the optimization procedure. In previous work, we presented an effective optimization framework that incorporates a direct-CAD interface. In this work, we enhance the capabilities of this framework with efficient gradient computations using the discrete adjoint method. We present details of the adjoint numerical implementation, which reuses the domain decomposition, multigrid, and time-marching schemes of the flow solver. Furthermore, we explain and demonstrate the use of CAD in conjunction with the Cartesian adjoint approach. The final paper will contain a number of complex geometry, industrially relevant examples with many design variables to demonstrate the effectiveness of the adjoint method on Cartesian meshes.

Nemec, Marian↗
DOE OSTI2024

Anomaly inflow, dualities, and quantum simulation of Abelian lattice gauge theories induced by measurements

Previous work [] has demonstrated that quantum simulation of Abelian lattice gauge theories (Wegner models including the toric code in a limit) in general dimensions can be achieved by local adaptive measurements on symmetry-protected topological (SPT) states with higher-form generalized global symmetries. The entanglement structure of the resource SPT state reflects the geometric structure of the gauge theory. In this work we explicitly demonstrate the anomaly inflow mechanism between the deconfining phase of the simulated gauge theory on the boundary and the SPT state in the bulk by showing that the anomalous gauge variation of the boundary state obtained by bulk measurement matches that of the bulk theory. Moreover, we construct the resource state and the measurement pattern for the measurement-based quantum simulation of a lattice gauge theory with a matter field (Fradkin-Shenker model), where a simple scheme to protect gauge invariance of the simulated state against errors is proposed. We further consider taking an overlap between the wave function of the resource state for lattice gauge theories and that of a parameterized product state, and we derive precise dualities between partition functions with insertion of defects corresponding to gauging higher-form global symmetries, as well as measurement-induced phases where states induced by a partial overlap possess different (symmetry-protected) topological orders. Measurement-assisted operators to dualize quantum Hamiltonians of lattice gauge theories and their noninvertibility are also presented. Published by the American Physical Society 2024

Okuda, Takuya↗
NASA NTRS1976

Research in large adaptive antenna arrays

The feasibility of microwave holographic imaging of targets near the earth using a large random conformal array on the earth's surface and illumination by a CW source on a geostationary satellite is investigated. A geometrical formulation for the illuminator-target-array relationship is applied to the calculation of signal levels resulting from L-band illumination supplied by a satellite similar to ATS-6. The relations between direct and reflected signals are analyzed and the composite resultant signal seen at each antenna element is described. Processing techniques for developing directional beam formation as well as SNR enhancement are developed. The angular resolution and focusing characteristics of a large array covering an approximately circular area on the ground are determined. The necessary relations are developed between the achievable SNR and the size and number of elements in the array. Numerical results are presented for possible air traffic surveillance system. Finally, a simple phase correlation experiment is defined that can establish how large an array may be constructed.

Berkowitz, R. S.↗
DOE OSTI2016

Mesh Adaptive Search Optimization in SERPENT2 Stereolithography Geometry

SERPENT2 Monte Carlo program has the capability to model reactor cores by stereolithography (STL) geometry. In this geometry, volumes are defined by the union of triangulated surfaces. Using the STL geometry offers unique benefits, including: 1) the model can be printed on 3D printers; 2) the possibility to use directly geometrical models from Computer-Aided Design (CAD); 3) the capability to perform multi-physics simulations coupling neutronics, thermal-hydraulics, and material science computations. In this work the STL geometry has been created by the CUBIT software, which is designed for finite elements mesh generation. The materials in the STL geometry have been assigned by a simple C program using the colors of the volumes in the CUBIT model. The goal of this work is to minimize the SERPENT2 computing time using mesh adaptive search algorithms. The basic idea is to split the geometry of the core into two zones: one zone containing the fuel elements (including the moderator and the coolant) and the other containing the reflector (and the target zone of the core, if it is driven by an external neutron source). By performing this splitting, two separate meshes are used, which results in a considerable computing time saving. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Geometry-aware framework for deep energy method: An application to structural mechanics with hyperelastic materials

Here, in this work, we introduce a novel physics-informed framework named the Geometry-Aware Deep Energy Method (GADEM) for solving structural mechanics problems on different geometries. As the weak form of the physical system equation (or the energy-based approach) has demonstrated clear advantages compared to the strong form for solving solid mechanics problems, GADEM employs the weak form and aims to infer the solution on multiple shapes of geometries. Integrating a geometry-aware framework into an energy-based method results in an effective physics-informed deep learning model in terms of accuracy and computational cost. Different ways to represent the geometric information and to encode the geometric latent vectors are investigated in this work. We introduce a loss function of GADEM which is minimized based on the potential energy of all considered geometries. An adaptive learning method is also employed for the sampling of collocation points to enhance the performance of GADEM. We present some applications of GADEM to solve solid mechanics problems, including a loading simulation of a toy tire involving contact mechanics and large deformation hyperelasticity. The numerical results of this work demonstrate the remarkable capability of GADEM to infer the solution on various and new shapes of geometries using only one trained model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties

Designing molecules with specific target properties remains a fundamental challenge in computational chemistry. While existing approaches show promise, most rely on simplified representations like SMILES strings or 2D graphs that lack essential three-dimensional geometric information. We present EvoDiffMol, a computational framework that integrates evolutionary algorithms with three-dimensional diffusion models for property-driven molecular generation. The method operates through adaptive evolutionary optimization, where population-based selection guides the generation process toward desired property landscapes. EvoDiffMol supports both unconstrained molecular design and scaffold-constrained generation that preserves fixed substructures while optimizing complementary regions. Comprehensive evaluation demonstrates exceptional performance, achieving the highest drug-likeness score (0.94) among all compared state-of-the-art methods while maintaining excellent validity, uniqueness, and novelty. Beyond single property optimization, the framework demonstrates flexible multi-property optimization capabilities, simultaneously controlling multiple molecular descriptors including synthetic accessibility, lipophilicity, topological polar surface area, and clinically relevant ADMET properties such as cardiotoxicity (hERG) and intestinal permeability (Caco-2). This adaptability spans from simple descriptors to practical pharmaceutical endpoints without requiring complete model retraining. The framework achieves precise control over target property values, generating molecules with properties closely matching specified targets for both single and multiple descriptors. Scaffold-constrained experiments preserve fixed molecular cores while maintaining effective property optimization. The three-dimensional representation offers advantages in maintaining structural validity during iterative optimization, with potential for geometry-aware applications in materials science and drug discovery.

3D molecular generation↗
NASA NTRSDate not supplied

The Plant Water Management Experiments: Soil

A simple means of watering plants in the low-g environment aboard orbiting spacecraft is not obvious. Since the beginning of spaceflight, numerous approaches have been pursued to water plants that seek to maximize plant viability and system reliability, while minimizing crew time and system complexity. We are not there yet. The Plant Water Management (PWM) Soil experiments seek to apply recent advances in low-g capillary fluidics phenomena to the challenges faced by plant growth operations aboard spacecraft. The primary challenge is to establish earth-like flows minimizing low-g specific adaptations required of the plants. This is difficult due to the ever-present fluid physics challenges of poorly-wetting multiphase inertial-visco-capillary flows in geometrically complex conduits and containers. In this paper, we present recent flight results for the PWM Soil experiments where arcillite ‘soil reservoirs’ are arranged in a non-wetting host soil that serves as an O2-breathing wetting barrier. In this way, a largely terrestrial water-soil environment is mimicked where, as liquid is evapo-transpired through the growing plant foliage, the effective water table passively ‘falls’ reducing viscous lengths and increasing water uptake for the plant. We present data from 6 days of 24-7 experiments on the ISS testing 3 different plant root models. We also present and correlate a capillary flow model which captures the primary features of the flow. Our summary is valued for the assessment of current and future low-g plant watering systems employing soil media.

microgravity↗