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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 OSTI2023

Rigid-flexible coupling multi-body dynamics modeling of a semi-submersible floating offshore wind turbine

A 14-degree-of-freedom (14-DOF) flexible multibody dynamics model is developed and verified for a semi-submersible floating offshore wind turbine (FOWT). The model considers the coupled dynamics of the platform, tower, nacelle, blades, and mooring subjected to external wind and wave loads. The platform is simplified as a rigid body connected to the seabed by the mooring system. The tower and blade are modeled as flexible cantilever beams. The energy method is used to derive the governing equations of motion, where the kinetic energy, potential energy, and work done by external wind-wave forces are all deduced in a global coordinate system. The 5-MW baseline semi-submersible FOWT is used to verify the derived model against the results simulated from FAST developed by the US National Renewable Energy Laboratory (NREL) at two scenarios: free decay state and different wind-wave load cases. Results show that the established FOWT model can well reflect the vibration characteristics of FAST model. The application of the model to the control of platform pitch with a tuned mass damper is studied. Furthermore, the simplified model could provide a low-order method for the structural dynamics analysis and advanced vibration control design for the multi-body components of the semi-submersible FOWT in the future.

17 WIND ENERGY↗
DOE OSTI2023

Review of TEAMER Awards for WEC-Sim Support: Preprint

Testing Expertise and Access for Marine Energy Research (TEAMER) is a U.S. Department of Energy Water Power Technologies Office sponsored program, overseen by the Pacific Ocean Energy Trust, which aims to advance the state of marine energy technologies. The program connects technology developers with experts at U.S. facilities, including numerical modeling and analysis facilities, like WEC-Sim. The WEC-Sim facility is supported by the WEC-Sim development team at Sandia National Laboratories and the National Renewable Energy Laboratory. WEC-Sim (Wave Energy Converter SIMulator) is an open-source software for simulating wave energy converters. WEC-Sim can model the multi-body dynamics of devices comprised of bodies, joints, power take-off systems, and mooring systems. Since TEAMER's first round of support in 2020, there have been eighteen TEAMER awards focused on numerical model development in WEC-Sim. TEAMER awards for WEC-Sim support have modeled a wide range of wave energy converter archetypes, including point absorbers, attenuators, oscillating water columns, and many other novel architectures. A wide variety of studies have been conducted, leading to important insights for TEAMER partners and software improvements for WECSim. This article highlights several successful WEC-Sim TEAMER awards. The awards described herein include TEAMER recipients Ocean Motion Technologies, AquaHarmonics, iProTech, East Carolina University, Virginia Tech, Maiden Wave Energy, and the University of Massachusetts Dartmouth. The awards of these seven partners contain a wide range of investigations and cover the creation of baseline hydrodynamic models, PTO modeling, geometry optimization in both boundary element methods and WECSim, and model tuning and validation.

industry support↗
DOE OSTI2022

OpenTurbine [SWR-23-07]

OpenTurbine is an open-source code designed for the simulation of wind turbine structural dynamics. It is a flexible multi-body dynamics solver wherein the wind turbine is modeled as a collection of beam finite elements, rigid bodies, and constraints. OpenTurbine is equipped with an application programming interface primarily designed for coupling to computational fluid dynamics codes, but it is also suited for coupling to aerodynamics solvers based on blade element momentum theory.

Sprague, MichaelA.↗
DOE OSTI2025

Introducing Kynema, an Open-Source Performance-Portable Flexible-Multibody-Dynamics Solver

In this talk we introduce Kynema, an open-source general flexible-multibody-dynamics solver that is well suited for simulating wind turbine structural dynamics. Kynema uses a Lie-group time integrator for constrained systems and runs on both CPUs and GPUs. Timing results for simulations are presented for the IEA 15-MW turbine with and without aerodynamic forces.

17 WIND ENERGY↗
DOE OSTI2019

Using Graph Partitioning for Scalable Distributed Quantum Molecular Dynamics

The simulation of the physical movement of multi-body systems at an atomistic level, with forces calculated from a quantum mechanical description of the electrons, motivates a graph partitioning problem studied in this article. Several advanced algorithms relying on evaluations of matrix polynomials have been published in the literature for such simulations. We aim to use a special type of graph partitioning to efficiently parallelize these computations. For this, we create a graph representing the zero–nonzero structure of a thresholded density matrix, and partition that graph into several components. Each separate submatrix (corresponding to each subgraph) is then substituted into the matrix polynomial, and the result for the full matrix polynomial is reassembled at the end from the individual polynomials. This paper starts by introducing a rigorous definition as well as a mathematical justification of this partitioning problem. We assess the performance of several methods to compute graph partitions with respect to both the quality of the partitioning and their runtime.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Study of the p-p-K + and p-p-K - dynamics using the femtoscopy technique

The interactions of kaons (K) and antikaons ($\bar{K}$ ) with few nucleons (N) were studied so far using kaonic atom data and measurements of kaon production and interaction yields in nuclei. Some details of the three-body $\bar{K}$NN and NN dynamics are still not well understood, mainly due to the overlap with multi-nucleon interactions in nuclei. An alternative method to probe the dynamics of three-body systems with kaons is to study the final state interaction within triplet of particles emitted in pp collisions at the Large Hadron Collider, which are free from effects due to the presence of bound nucleons. This Letter reports the first femtoscopic study of p–p–K + and p–p–K - correlations measured in high-multiplicity pp collisions at $\sqrt{s}$ = 13 TeV by the ALICE Collaboration. The analysis shows that the measured p–p–K + and p–p–K - correlation functions can be interpreted in terms of pairwise interactions in the triplets, indicating that the dynamics of such systems is dominated by the two-body interactions without significant contributions from three-body effects or bound states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Temporal dynamics of the multi-omic response to endurance exercise training

Regular exercise promotes whole-body health and prevents disease, but the underlying molecular mechanisms are incompletely understood. Here, the Molecular Transducers of Physical Activity Consortium profiled the temporal transcriptome, proteome, metabolome, lipidome, phosphoproteome, acetylproteome, ubiquitylproteome, epigenome and immunome in whole blood, plasma and 18 solid tissues in male and female Rattus norvegicus over eight weeks of endurance exercise training. The resulting data compendium encompasses 9,466 assays across 19 tissues, 25 molecular platforms and 4 training time points. Thousands of shared and tissue-specific molecular alterations were identified, with sex differences found in multiple tissues. Temporal multi-omic and multi-tissue analyses revealed expansive biological insights into the adaptive responses to endurance training, including widespread regulation of immune, metabolic, stress response and mitochondrial pathways. Many changes were relevant to human health, including non-alcoholic fatty liver disease, inflammatory bowel disease, cardiovascular health and tissue injury and recovery. The data and analyses presented in this study will serve as valuable resources for understanding and exploring the multi-tissue molecular effects of endurance training and are provided in a public repository (https://motrpac-data.org/).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Coupling hydrodynamics to a rigid-body motion solver for fluid-structure interaction [Slides]

Quinoa is a massively parallel computational fluid dynamics with multi-material and programmed burn capabilities developed from Programmatic and LDRD funds. Overset is a well-established method of using an “inset” mesh that communicates with a background mesh. Solutions transfer freely from one to another and operate as boundary conditions on the opposite mesh. Either mesh can move at specified velocity! This project couples the existing Mesh-to-mesh transfer with Quinoa and demonstrates use of resulting Overset solver in computational simulation of blast effects on a re-entry body for survivability assessments.

42 ENGINEERING↗
DOE OSTI2024

Tracking ultrafast non-adiabatic dissociation dynamics of the deuterated water dication molecule

Here, we applied reaction microscopy to elucidate fast non-adiabatic dissociation dynamics of deuterated water molecules after direct photo-double ionization at 61 eV with synchrotron radiation. For the very rare D + + O + + D breakup channel, the particle momenta, angular, and energy distributions of electrons and ions, measured in coincidence, reveal distinct electronic dication states and their dissociation pathways via spin–orbit coupling and charge transfer at crossings and seams on the potential energy surfaces. Notably, we could distinguish between direct and fast sequential dissociation scenarios. For the latter case, our measurements reveal the geometry and orientation of the deuterated water molecule with respect to the polarization vector that leads to this rare 3-body molecular breakup channel. Aided by multi-reference configuration-interaction calculations, the dissociation dynamics could be traced on the relevant potential energy surfaces and particularly their crossings and seams. This approach also unraveled the ultrafast time scales governing these processes.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

TEAMER - Extreme Events Modeling for the MARMOK-OWC Wave Energy Converter

Through the TEAMER program, Sandia National Laboratories (SNL) collaborated with IDOM Incorporated to study their MARMOK-Oscillating Water Column (MARMOK-OWC) wave energy conversion device. The study yielded a quantitative understanding of hydrodynamic pressures on the oscillating water column (OWC) device surfaces, the mooring tensions, and the dynamic performance of the device under extreme ocean wave conditions. This project utilized a comprehensive multi-phase Navier-Stokes flow solver with an overset body-fit mesh to predict fluid velocities and hydrodynamic forces on the MARMOK-OWC device. Computational Fluid Dynamics (CFD) analysis were conducted using OpenFOAM. This data includes the OpenFOAM cases (setup and data) to run the extreme events developed during the project. This project is part of the TEAMER RFTS 4 (request for technical support) program.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Unveiling the dynamics of little-bang nucleosynthesis

High-energy nuclear collisions provide a unique site for the synthesis of both nuclei and antinuclei at temperatures of kT ≈ 100 – 150 MeV. In these little bangs of transient collisions, a quark-gluon plasma (QGP) of nearly vanishing viscosity is created, which is believed to have existed in the early universe within the first few microseconds after the Big Bang. Analyses of identified particles produced in these little bangs based on the statistical hadronization model for the QGP have suggested that light (anti)nuclei are produced from the QGP as other hadrons and their abundances are little affected by later hadronic dynamics. Here, we find a strong reduction of the triton yield by about a factor of 1.8 in high-energy heavy-ion collisions based on a kinetic approach that includes the effects of hadronic re-scatterings, particularly that due to pion-catalyzed multi-body reactions. This finding is supported by the latest experimental measurements and thus unveils the important role of hadronic dynamics in the little-bang nucleosynthesis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Strong-field ionization of water. II. Electronic and nuclear dynamics en route to double ionization

We investigate the role of nuclear motion and strong-field-induced electronic couplings during the double ionization of deuterated water using momentum-resolved coincidence spectroscopy. By examining the three-body dicationic dissociation channel, D$^{+}$/D$^{+}$/O, for both few- and multi-cycle laser pulses, strong evidence for intra-pulse dynamics is observed. The extracted angle- and energy-resolved double ionization yields are compared to classical trajectory simulations of the dissociation dynamics occurring from different electronic states of the dication. In contrast with measurements of single photon double ionization, pronounced departure from the expectations for vertical ionization is observed, even for pulses as short as 10~fs in duration. We outline numerous mechanisms by which the strong laser field can modify the nuclear wavefunction en-route to final states of the dication where molecular fragmentation occurs. Specifically, we consider the possibility of a coordinate-dependence to the strong-field ionization rate, intermediate nuclear motion in monocation states prior to double ionization, and near-resonant laser-induced dipole couplings in the ion. These results highlight the fact that, for small and light molecules such as D$_2$O, a vertical-transition treatment of the ionization dynamics is not sufficient to reproduce the features seen experimentally in the strong field coincidence double-ionization data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Efficiency of charge transfer in changing the dissociation dynamics of OD + transients formed after the photo-fragmentation of D 2 O

Here, we present an investigation of the relaxation dynamics of deuterated water molecules after direct photo-double ionization at 61 eV. We focus on the very rare D + + O + + D reaction channel in which the sequential fragmentation mechanisms were found to dominate the dynamics. Aided by theory, the state-selective formation and breakup of the transient OD + (a 1 Δ, b 1 Σ + ) is traced, and the most likely dissociation path—OD + : a 1 Δ or b 1 Σ + → A 3 Π → X 3 Σ – → B 3 Σ – —involving a combination of spin–orbit and non-adiabatic charge transfer transitions is determined. The multi-step transition probability of this complex transition sequence in the intermediate fragment ion is directly evaluated as a function of the energy of the transient OD + above its lowest dissociation limit from the measured ratio of the D + + O + + D and competing D + + D + + O sequential fragmentation channels, which are measured simultaneously. Our coupled-channel time-dependent dynamics calculations reproduce the general trends of these multi-state relative transition rates toward the three-body fragmentation channels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Towards understanding particle rigid-body motion during solid-state sintering

A quantitative understanding of particle rigid body (RB) motion that inherently accompanies grain boundary (GB) diffusion is highly desirable to understand and control the dynamic interplay between coarsening and densification during solid state sintering. In this work, by computer simulation using a multi-phase-field approach, we analyze systematically the roles played by each of these processes at different stages of the shrinkage of the internal pore in a three-particle green body as a function of particle size as well as thermodynamic and kinetic factors of interfaces. We demonstrate that particle RB translation promotes both neck growth, and pore rounding and shrinkage. Moreover, the forces acting at GBs and pulling neighboring particles towards one another dynamically evolve as particles fuse. In contrast, particle RB rotation has no contribution to pore shrinkage. The translational force acting on an individual particle varies with not only its size, but also the number and sizes of its neighboring particles.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Entanglement and correlations in fast collective neutrino flavor oscillations

Collective neutrino oscillations play a crucial role in transporting lepton flavor in astrophysical settings like supernovae and neutron star binary merger remnants, which are characterized by large neutrino densities. In these settings, simulations in the mean-field approximation show that neutrino-neutrino interactions can overtake vacuum oscillations and give rise to fast collective flavor evolution on time-scales t ∝ μ –1 , with μ proportional to the local neutrino density. In this work, we study the full out-of-equilibrium flavor dynamics in simple multi-angle geometries displaying fast oscillations in the mean field linear stability analysis. Focusing on simple initial conditions, we analyze the production of pair correlations and entanglement in the complete many-body-dynamics as a function of the number N of neutrinos in the system, for up to thousands of neutrinos. Similarly to simpler geometries with only two neutrino beams, we identify three regimes: stable configurations with vanishing flavor oscillations, marginally unstable configurations with evolution occurring on long time scales τ ≈ µ –1 $\sqrt{N}$, and unstable configurations showing flavor evolution on short time scales τ ≈ μ –1 log(N). Here, we present evidence that these fast collective modes are generated by the same dynamical phase transition which leads to the slow bipolar oscillations, establishing a connection between these two phenomena and explaining the difference in their time scales. We conclude by discussing a semi-classical approximation which reproduces the entanglement entropy at short to medium time scales and can be potentially useful in situations with more complicated geometries where classical simulation methods starts to become inefficient.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Semi-Automated Creation of Density Functional Tight Binding Models through Leveraging Chebyshev Polynomial-Based Force Fields

Density functional tight binding (DFTB) is an attractive method for accelerated quantum simulations of condensed matter due to its enhanced computational efficiency over standard density functional theory (DFT) approaches. However, DFTB models can be challenging to determine for individual systems of interest, especially for metallic and interfacial systems where different bonding arrangements can lead to significant changes in electronic states. In this regard, we have created a rapid-screening approach for determining systematically improvable DFTB interaction potentials that can yield transferable models for a variety of conditions. Our method leverages a recent reactive molecular dynamics force field where many-body interactions are represented by linear combinations of Chebyshev polynomials. This allows for the efficient creation of multi-center representations with relative ease, requiring only a small investment in initial DFT calculations. Here, we have focused our workflow on TiH 2 as a model system and show that a relatively small training set based on unit-cell-sized calculations yields a model accurate for both bulk and surface properties. Our approach is easy to implement and can yield reliable DFTB models over a broad range of thermodynamic conditions, where physical and chemical properties can be difficult to interrogate directly and there is historically a significant reliance on theoretical approaches for interpretation and validation of experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗