Search NASA⌕ Search

SEARCH · Search NASA

Results for “coupled problems”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 235 records · Page 13

Searches for heavy QCD axions via dimuon final states

Heavy QCD axions are well-motivated extensions of the QCD axion that address the quality problem while still solving the strong CP problem. Owing to the gluon coupling, critical for solving the strong CP problem, these axions can be produced in significant numbers in beam dump and collider environments for axion decay constants as large as PeV, relevant for addressing the axion quality problem. In addition, if these axions have leptonic couplings, they can give rise to long-lived decay into lepton pairs, in particular, dominantly into muons above the dimuon threshold and below the GeV scale in a broad class of axion models. Considering existing constraints, primarily from rare meson decays, we demonstrate that current and future neutrino facilities and long-lived particle searches have the potential to probe significant parts of the heavy QCD axion parameter space via dimuon final states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Demonstration of MAMMOTH Strongly-Coupled Multiphysics Simulation with the Godiva Benchmark Problem

This paper provides a detailed description of the Godiva benchmark problem suitable for multiphysics code verification. Multigroup transport weak forms for general curvilinear coordinates are derived using SAAF (self-adjoint angular flux) formulation. A new scheme based on spherical harmonics expansion for evaluating the angular derivative terms using the SN method are presented and tested. A one-dimensional spherical coordinate system is used by MAMMOTH for modeling the Godiva benchmark. Strongly-coupled multiphysics simulation mode of MAMMOTH is exercised and numerical results are given.

97 MATHEMATICS AND COMPUTING↗

Adaptive two-regime method: Application to front propagation

The Adaptive Two-Regime Method (ATRM) is developed for hybrid (multiscale) stochastic simulation of reaction-diffusion problems. It efficiently couples detailed Brownian dynamics simulations with coarser lattice-based models. The ATRM is a generalization of the previously developed Two-Regime Method [Flegg et al., J. R. Soc., Interface 9, 859 (2012)] to multiscale problems which require a dynamic selection of regions where detailed Brownian dynamics simulation is used. Typical applications include a front propagation or spatio-temporal oscillations. In this paper, the ATRM is used for an in-depth study of front propagation in a stochastic reaction-diffusion system which has its mean-field model given in terms of the Fisher equation [R. Fisher, Ann. Eugen. 7, 355 (1937)]. It exhibits a travelling reaction front which is sensitive to stochastic fluctuations at the leading edge of the wavefront. Previous studies into stochastic effects on the Fisher wave propagation speed have focused on lattice-based models, but there has been limited progress using off-lattice (Brownian dynamics) models, which suffer due to their high computational cost, particularly at the high molecular numbers that are necessary to approach the Fisher mean-field model. By modelling only the wavefront itself with the off-lattice model, it is shown that the ATRM leads to the same Fisher wave results as purely off-lattice models, but at a fraction of the computational cost. The error analysis of the ATRM is also presented for a morphogen gradient model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analysis of an optimization-based atomistic-to-continuum coupling method for point defects

Here, we formulate and analyze an optimization-based Atomistic-to-Continuum (AtC) coupling method for problems with point defects. Application of a potential-based atomistic model near the defect core enables accurate simulation of the defect. Away from the core, where site energies become nearly independent of the lattice position, the method switches to a more efficient continuum model. The two models are merged by minimizing the mismatch of their states on an overlap region, subject to the atomistic and continuum force balance equations acting independently in their domains. We prove that the optimization problem is well-posed and establish error estimates.

74 ATOMIC AND MOLECULAR PHYSICS↗

The dedicated ICRH system for the stellarator Wendelstein 7-X

The current status of the mechanical and electromagnetic design for the ICRF antenna system for W7-X is presented. Two antenna plugins are discussed: one consisting of a pair of straps with pre-matching to cover the first frequency band 25-38 MHz and a second one consisting of two short strap triplets to cover a frequency band around 76 MHz. This paper focusses on the two strap antenna for the lower frequency band. Power coupling of the antenna to a reference plasma profile is studied with the help of the codes TOPICA and Microwave Studio, that deliver the scattering matrix needed for the optimization of the geometric parameters of the straps and antenna box. Radiation power spectra for different phasings of the two straps are obtained using the code ANTITER II and different heating scenarii are discussed. The potential for heating, fast particle generation and current drive is discussed. The problem of RF coupling through the plasma edge and of edge power deposition is summarized. The system contains a prematching capacitor to limit the maximum voltage in the system, and the large mutual coupling between the 2 straps is counterbalanced by the use of a decoupler. The mechanical design highlights the challenges encountered with this antenna: adaptation to a large variety of plasma configurations, the limited space within the port to accommodate the necessary matching components and the watercooling needed for long pulse operation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Study and design of the ion cyclotron resonance heating system for the stellarator Wendelstein 7-X

The current status of the mechanical and electromagnetic design for the ICRF antenna system for W7-X is presented. Two antenna plugins are discussed: one consisting of a pair of straps with pre-matching to cover the first frequency band, 25–38 MHz, and a second one consisting of two short strap triplets to cover a frequency band around 76 MHz. This paper focusses on the two strap antenna for the lower frequency band. Power coupling of the antenna to a reference plasma profile is studied with the help of the codes TOPICA and Microwave Studio that deliver the scattering matrix needed for the optimization of the geometric parameters of the straps and antenna box. Radiation power spectra for different phasings of the two straps are obtained using the code ANTITER II and different heating scenario are discussed. The potential for heating, fast particle generation, and current drive is discussed. The problem of RF coupling through the plasma edge and of edge power deposition is summarized. Important elements of the complete ion cyclotron resonance heating system are discussed: a resonator circuit with tap feed to limit the maximum voltage in the system, and a decoupler to counterbalance the large mutual coupling between the 2 straps. The mechanical design highlights the challenges encountered with this antenna: adaptation to a large variety of plasma configurations, the limited space within the port to accommodate the necessary matching components and the watercooling needed for long pulse operation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Reducing the Spatial Discretization Error of Thermal Emission in Implicit Monte Carlo Simulations

Implicit Monte Carlo simulations of thermal radiative transport can exhibit what is known as teleportation error in problems with strong coupling between radiation and matter. Teleportation error occurs when energy deposited in a localized region of a spatial zone is emitted throughout the zone in the next time step. Teleportation error is commonly reduced by biasing the positions of photon thermal emission using a fit to the spatial distribution of temperature to the fourth power. The current work samples and stores locations along photon paths based on absorption probabilities. These locations are used as sites for emission in the subsequent time step. This method of teleportation correction is demonstrated in several sample problems, and is validated against an Implicit Monte Carlo Diffusion Method, which does not exhibit teleportation error. We report the new method reduces teleportation error relative to the source tilting method, and enables the use of lower spatial resolutions than would be required to mitigate teleportation error using the source tilting method.

97 MATHEMATICS AND COMPUTING↗

Molecular shear heating and vortex dynamics in thermostatted two dimensional Yukawa liquids

It is well known that two-dimensional macroscale shear flows are susceptible to instabilities leading to macroscale vortical structures. The linear and nonlinear fate of such a macroscale flow in a strongly coupled medium is a fundamental problem. A popular example of a strongly coupled medium is a dusty plasma, often modelled as a Yukawa liquid. Recently, laboratory experiments and molecular dynamics (MD) studies of shear flows in strongly coupled Yukawa liquids indicated the occurrence of strong molecular shear heating, which is found to reduce the coupling strength exponentially leading to the destruction of macroscale vorticity. To understand the vortex dynamics of strongly coupled molecular fluids undergoing macroscale shear flows and molecular shear heating, MD simulation has been performed, which allows the macroscopic vortex dynamics to evolve, while at the same time “removes” the microscopically generated heat without using the velocity degrees of freedom. We demonstrate that by using a configurational thermostat in a novel way, the microscale heat generated by shear flow can be thermostatted out efficiently without compromising the large scale vortex dynamics. In the present work, using MD simulations, a comparative study of shear flow evolution in Yukawa liquids in the presence and absence of molecular or microscopic heating is presented for a prototype shear flow, namely, Kolmogorov flow.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Neural Network Enhanced RKPM for Electrochemical-Mechanical Coupled Damage Modeling of Energy Storage Materials

Energy storage materials undergo significant charge cycling, which makes understanding their reliability and durability fundamental in predicting performance and service life. Strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking, largely along material interfaces and grain boundaries. For Li-ion batteries, for example, lithium moving between electrodes during charging and discharging process causes expansion and contraction of grains, and the strongly anisotropic and nonlinearly [Li]-dependent grain material properties can cause grains to expand into and contract away from each other, leading to chemo-mechanical cracking. In the first part of this work, a RKPM based computational framework for solving the coupled solid-phase lithium conservation with Fickian diffusion and the lithium concentration dependent anisotropic mechanical problem subjected to a highly nonlinear Butler-Volmer boundary condition is introduced. The choice of RKPM completeness conditions for lithium concentration and mechanical deformation fields, and the variational consistency condition for the domain integration of the coupled problem is first determined. In the second part of this work, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1] is leveraged to accurately capture damage and crack propagation throughout the material, by learning the location, orientation, and sharpness of discontinuity while allowing for a coarser nodal distribution than that is necessary for capturing sharp solution transitions using traditional mesh-based methods. NN-RKPM is used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure.

damage modeling↗

A Review of Lattice-Boltzmann Models Coupled with Geochemical Modeling Applied for Simulation of Advanced Waterflooding and Enhanced Oil Recovery Processes

To maintain economic profit and improve the oil production efficiency after the primary and secondary production phase, advanced waterflooding techniques such as low salinity waterflooding in carbonate reservoirs have been investigated in numerical simulations, laboratory experiments, and field pilot tests. Multiple underlying mechanisms have been proposed based on these studies, and they are still under debate. Various numerical modeling approaches are introduced, but there exists a lack of a pore-scale comprehensive modeling scheme to fully understand the processes. Lattice-Boltzmann method (LBM) is a type of numerical fluid flow modeling technique that shows capabilities and flexibilities in modeling pore-scale fluid flow to integrate physical–chemical processes within complex structures. The intrinsic feature of LBM makes it a promising framework for simulating advanced waterflooding due to its flexibility, accuracy, and parallel efficiency. LBM works either by itself for solving reactive transport problems or by coupling with a third-party reaction solver. This review mainly introduces the LBM fluid flow and reactive transport capabilities and the concept and modeling approaches to simulate advanced waterflooding techniques. Meanwhile, an evaluation of the coupled LBM models for enhanced oil recovery (EOR) simulations is discussed with future research challenges and directions concluded.

02 PETROLEUM↗

STOMP-W

STOMP is a numerical simulator, developed by PNNL, for solving problems involving multifluid coupled flow and reactive transport in geologic media. The code has been under development at PNNL for more than twentyfive years. This release of STOMP will allow users to directly access the software, and will be limited to selected operational modes. The initial release will include STOMPW. Additional operational modes will be released depending on market trends and user needs.The STOMP simulator has been available to parties outside of PNNL via license agreements. A new trend in projects supported by the U.S. government is that software be available as open source. This release of the STOMP software will meet that need. The initial target operational mode, STOMPW, is one that solves isothermal problems involving variably saturated geologic systems with nonreactive solutes and reactive species. The capabilities of this simulator are often applied to environmental stewardship and restoration problems, such as those at the Hanford Site.

Source record↗

Conditional diffusion machine-learning framework for mapping valence electron distribution from convergent beam electron diffraction

Quantitative convergent beam electron diffraction (CBED) enables determination of aspherical valence electron distributions through refinement of low-order structure factors, which are highly sensitive to chemical bonding and charge density variations. However, conventional quantitative CBED (QCBED) requires solving a highly nonlinear inverse problem with many coupled parameters, and computationally intensive dynamical diffraction calculations, making it time-consuming and difficult to apply to complex systems. More broadly, reconstructing charge density and orbital electron distribution from diffraction data has long been a central challenge in both x-ray and electron crystallography. Here, in this study, we introduce an artificial-intelligence (AI)-based framework that replaces traditional refinement with a data-driven inverse solver. Using a large synthetic CBED dataset generated by Bloch-wave simulations, we train a conditional diffusion model to directly infer crystal structural parameters and multipole density formalism parameters, and hence valence electron distributions, from CBED patterns alone. By learning from forward simulations across realistic parameter space, the model effectively solves the inverse problem. Compared with direct regression approaches, the diffusion-based framework provides posterior parameter distributions for rigorous uncertainty quantification while preserving quantitative fidelity and reducing analysis time by orders of magnitude. By eliminating the need for external single-crystal x-ray diffraction data and complex nonlinear refinement, this approach enables practical, high-throughput, and in situ quantitative CBED, enabling real-time mapping of valence electron distributions and their correlation with functional responses in quantum and energy materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Is the bulk mode conversion important in high density helicon plasma?

In a high-density helicon plasma production process, a contribution of Trivelpiece-Gould (TG) wave for surface power deposition is widely accepted. The TG wave can be excited either due to an abrupt density gradient near the plasma edge (surface conversion) or due to linear mode conversion from the helicon wave in a density gradient in the bulk region (bulk mode conversion). By numerically solving the boundary value problem of linear coupling between the helicon and the TG waves in a background with density gradient, we show that the efficiency of the bulk mode conversion strongly depends on the dissipation included in the plasma, and the bulk mode conversion is important when the dissipation is small. Also, by performing FDTD simulation, we show the time evolution of energy flux associated with the helicon and the TG waves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Physics-Constrained Deep Learning Model for Simulating Multiphase Flow in 3D Heterogeneous Porous Media

Physics-based simulators for multiphase flow in porous media emulate nonlinear processes with coupled physics, and usually require extensive computational resources for software development, maintenance and simulation execution. As a result, a huge demand exists for fast modeling of coupled processes in a wide range of subsurface applications including geological sequestration, hydrocarbon recovery and geothermal energy extraction. In this work, an efficient physics-constrained deep learning model is developed for solving multiphase flow in 3-Dimensional (3D) heterogeneous porous media. The model fully leverages the spatial topology predictive capability of convolutional neural networks, specifically U-Net with successive contracting and expansive steps, and is coupled with an efficient continuity-based smoother to predict flow responses that need spatial continuity. Furthermore, the transient regions are penalized to steer the training process such that the model can accurately capture flow in these regions. The model takes inputs including properties of porous media, fluid properties and well controls, and predicts the temporal-spatial evolution of the state variables (pressure and saturation). While maintaining the continuity of fluid flow, the 3D spatial domain is decomposed into 2D images for reducing training cost, and the decomposition results in an increased number of training data samples and better training efficiency. Additionally, a surrogate model is separately constructed as a postprocessor to calculate well flow rate based on the predictions of state variables from the deep learning model. We use the example of CO 2 injection into saline aquifers, and apply the physics-constrained deep learning model that is trained from physics-based simulation data and emulates the physics process. The model performs prediction with a speedup of ~ 1400 times compared to physics-based simulations, and the average temporal errors of predicted pressure and saturation plumes are 0.27% and 0.099% respectively. Furthermore, water production rate is efficiently predicted by a surrogate model for well flow rate, with a mean error less than 5%. Therefore, with its unique scheme to cope with the fidelity in fluid flow in porous media, the physics-constrained deep learning model can become an efficient predictive model for computationally demanding inverse problems or other coupled processes.

58 GEOSCIENCES↗

Homogenization of Functionals with Linear Growth in the Context of A-quasiconvexity

This work deals with the homogenization of functionals with linear growth in the context of A-quasiconvexity. A representation theorem is proved, where the new integrand function is obtained by solving a cell problem where the coupling between homogenization and the A-free condition plays a crucial role. This result extends some previous work to the linear case, thus allowing for concentration effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantifying Dynamic Signal Spread in Real-Time High-Energy X-ray Diffraction

Abstract Measured intensity in high-energy monochromatic X-ray diffraction (HEXD) experiments provides information regarding the microstructure of the crystalline material under study. The location of intensity on an areal detector is determined by the lattice spacing and orientation of crystals so that changes in the heterogeneity of these quantities are reflected in the spreading of diffraction peaks over time. High temporal resolution of such dynamics can now be experimentally observed using technologies such as the mixed-mode pixel array detector (MM-PAD) which facilitates in situ dynamic HEXD experiments to study plasticity and its underlying mechanisms. In this paper, we define and demonstrate a feature computed directly from such diffraction time series data quantifying signal spread in a manner that is correlated with plastic deformation of the sample. A distinguishing characteristic of the analysis is the capability to describe the evolution from the distinct diffraction peaks of an undeformed alloy sample through to the non-uniform Debye–Scherrer rings developed upon significant plastic deformation. We build on our previous work modeling data using an overcomplete dictionary by treating temporal measurements jointly to improve signal spread recovery. We demonstrate our approach in simulations and on experimental HEXD measurements captured using the MM-PAD. Our method for characterizing the temporal evolution of signal spread is shown to provide an informative means of data analysis that adds to the capabilities of existing methods. Our work draws on ideas from convolutional sparse coding and requires solving a coupled convex optimization problem based on the alternating direction method of multipliers.

Engineering↗

Two-mode generalization of the Jaynes–Cummings and Anti-Jaynes–Cummings models

We introduce two generalizations of the Jaynes–Cummings (JC) model for two modes of oscillation. The first model is formed by two Jaynes–Cummings interactions, while the second model is written as a simultaneous Jaynes–Cummings and Anti-Jaynes–Cummings (AJC) interactions. We study some of its properties and obtain the energy spectrum and eigenfunctions of these models by using the tilting transformation and the Perelomov number coherent states of the two-dimensional harmonic oscillator. Moreover, as physical applications, we connect these new models with two important and novel problems: The relativistic non-degenerate parametric amplifier and the relativistic problem of two coupled oscillators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗