Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “COUPLINGS”

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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Gravitational production of completely dark photons with nonminimal couplings to gravity

Dark photons are a theorized massive spin-1 particle which can be produced via various mechanisms, including cosmological gravitational particle production (GPP) in the early universe. In this work, we extend previous results for GPP of dark photons to include nonminimal couplings to gravity. We find that nonminimal couplings can induce a ghost instability or lead to runaway particle production at high momentum and discuss the constraints on the parameter space such that the theory is free of instabilities. Within the instability-free regime we numerically calculate the particle production and find that the inclusion of nonminimal couplings can lead to an enhancement of the particle number. As a result, GPP of nonminimally coupled dark photons can open the parameter space for production of a cosmological relevant relic density (constituting all or part of the dark matter) as compared to the minimally-coupled theory. These results are independent of the choice of inflation model, which we demonstrate by repeating the analysis for a class of rapid-turn multi-field inflation models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Multi-Higgs doublet models: the Higgs-fermion couplings and their sum rules

This is the second of a series of papers that explores the physical parameterization, sum rules and unitarity bounds arising from a non-minimal scalar sector of the Standard Model (SM) that consists of N Higgs doublets. In this paper, we focus on the structure and implication of the Yukawa interactions that couple the N scalar doublets to the SM fermions. We employ the charged Higgs basis, which is defined as the basis of scalar fields such that the neutral scalar field vacuum expectation value resides entirely in one of the N scalar doublet fields, and the charged components of the remaining N – 1 scalar doublet fields are the physical (mass-eigenstate) charged Higgs fields. Based on the structure of the Yukawa Lagrangian of the model (and as a consequence of tree-level unitarity), one may deduce numerous sum rules, several of which have not appeared previously in the literature. Furthermore, these sum rules can be used to uncover intimate relations between the structure of the Higgs-fermion couplings and the scalar/gauge couplings. In particular, we show that the approximate alignment limit, in which the W + W – and ZZ couplings to the observed Higgs boson are approximately SM-like, imposes significant constraints on the Higgs-fermion couplings.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

A stable snow–atmosphere coupled mode

Snow is both an important lower boundary forcing of the atmosphere and a response to atmospheric forcing in the extratropics. It is still unclear whether a stable snow–atmosphere coupled mode exists in the extratropics, like the ENSO in the tropics. Using Sliding Correlation analysis over Any Window, the present study quantitatively evaluates the stability of coupling relationships between the major modes of winter snow over the Northern Hemisphere and the winter atmospheric Arctic Oscillation (AO), the Antarctic Oscillation (AAO) and the Siberian High over the period 1872–2010, and discusses their possible relationships for different seasons. Results show that the first mode of the winter snow cover fraction and the winter AO together constitute a stable snow–atmosphere coupled mode, the SNAO. The coupled mode is stronger during recent decades than before. The snow anomaly over Europe is one key factor of the SNAO mode due to the high stability there, and the polar vortex anomaly in the atmosphere is its other key factor. The continuity of signals in the SNAO between autumn and winter is weaker than that between winter and spring. The second winter snow mode is generally stably correlated with the winter AAO and was more stable before the 1970s. The AAO signal with boreal snow has a strong continuity in seasonal transition. Generally, through these coupled modes, snow and atmosphere can interact in the same season or between different seasons: autumn snow can influence the winter atmosphere; the winter atmosphere can influence spring snow.

Meteorology & Atmospheric Sciences↗
DOE OSTI2022

Coupled Monte Carlo and thermal-fluid modeling of high temperature gas reactors using Cardinal

Cardinal is an open-source application that couples OpenMC Monte Carlo transport and NekRS computa-tional fluid dynamics to the Multiphysics Object-Oriented Simulation Environment (MOOSE), closing neutronics and thermal-fluid gaps in conducting high-resolution multiscale and multiphysics analyses of nuclear systems. Here, we provide an introduction to Cardinal's software design, data mapping, and multi -physics coupling strategy to highlight our approach to overcoming common challenges in multiphysics simulation. We then describe an application of Cardinal to prismatic High Temperature Gas Reactors (HTGRs) with various combinations of NekRS, OpenMC, BISON, and THM. A high-resolution coupling of NekRS, OpenMC, and BISON provides a reference solution at the unit cell level and shows excellent agree-ment with a lower-resolution coupling of THM, OpenMC, and BISON. A full core coupling of THM, OpenMC, and BISON resolving the three-dimensional conjugate heat transfer and sub-pin power distri-bution then provides detailed predictions of HTGR temperatures and the fission distribution.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Studies of the influence of heat pipe model and coupling strategy in heat pipe microreactor simulations using Sockeye

This work demonstrates various modeling approaches for thermally coupling heat pipes to a graphite monolithic block in a microreactor context, accounting for the presence of a gap. We show that heat pipe model selection has a significant impact on the transient behavior of a three-dimensional coupled microreactor assembly problem by comparing results obtained using different heat pipe models from the heat pipe code Sockeye. Additionally, we show that the choice of coupling strategy has significant consequences for both accuracy and performance. Furthermore, we found that our heat flux transfer strategy exhibited greater accuracy than our temperature transfer strategy, even when comparing a loose coupling of the heat flux transfer strategy to a tight coupling of the temperature transfer strategy. Although this research uses only theoretical test problems, it provides important insights in modeling thermal fluids phenomena in heat pipe microreactors.

Direwolf↗
DOE OSTI2025

Thermomechanics coupling to Monte Carlo particle transport on unstructured mesh geometries using Cardinal

Geometry deformation due to thermal expansion influences neutron transport in many systems. Studying this phenomenon involves coupling models for neutronics, thermal hydraulics, and solid mechanics. To enable high fidelity modeling of these coupled physics, new capabilities were introduced in Cardinal, coupling OpenMC Monte Carlo particle transport models with MOOSE thermomechanical physics on unstructured moving-mesh geometries. In this work, we present a fully open-source capability leveraging on-the-fly mesh skinning to automatically regenerate OpenMC geometry, which allows multiphysics feedback from temperature, density, and geometry changes. The new capability is verified using an analytic benchmark slab problem, which couples S 2 neutron transport with thermal conduction, convective boundary conditions, Doppler-broadened cross sections, and nonlinear thermal expansion effects along the heated slab. Cardinal reproduces the analytic solutions for the neutron flux, heating, k eff , and temperature with demonstrated convergence in various error terms including mesh resolution and cross section temperature library spacing. For the nominal benchmark conditions and with a fine mesh, maximum relative errors for neutron flux, temperature, and heating are lower than 1%, while errors in integral quantities such as k eff and slab length are within 1 pcm and 48 µm, respectively. This work (i) presents a new numerical approach to thermomechanics coupling with OpenMC models, (ii) is the first (to our knowledge) to utilize a mechanical partial differential equation (PDE) solution to solve the (Griesheimer and Kooreman, 2022) analytic benchmark, and (iii) develops this verified capability within an open-source package.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2022

CFD Simulation of Floating Body Motion with Mooring Dynamics: Coupling MoorDyn with OpenFOAM

It is increasingly popular to use Computational Fluid Dynamics (CFD) models to study floating structures subjected to ocean waves, especially when it comes to applications of floating offshore wind turbines and Wave Energy Converters (WECs). Mooring dynamics are currently lacking in most of these applications. This paper presents a coupled simulation study of moored floating body motion by coupling two open-source libraries: a finite volume CFD toolbox, OpenFOAM, and a lumped-mass mooring model, MoorDyn. The instantaneous floating body position and velocity are passed from the body motion solver in the CFD model to the mooring model to calculate the fairlead kinematics. The mooring reaction forces, which are calculated by MoorDyn after updating the mooring system states, are then returned to the body motion solver to update the floating body motion. Both mesh deformation and overset mesh methods are used as the mesh motion solver in the CFD model to account for the floating body motion. The coupled model was validated against experimental measurements for a floating box moored with four catenary lines under the action of regular waves, which came from a preliminary test campaign for WECs. Apart from the lumped-mass mooring model, the present work also coupled a quasi-static mooring model and a finite element model with the floating body motion solver in OpenFOAM. The mooring line tensions predicted by these models were compared. The coupled model equipped with three mooring line codes may be further used to carry out survivability studies of FOWTs and WECs subject to severe sea states.

floating body↗
DOE OSTI2024

An MPMD approach coupling electromagnetic continuum mechanics approximations in ALEGRA

In this work, two complementary approximations for describing aspects of continuum electromagnetics in moving media are discussed: electroquasistatic and magnetoquasistatic. Each has been implemented in the finite element shock code ALEGRA for modeling dynamic electromechanical phenomena on typical engineering time scales, with fully integrated circuit coupling. The approximations can be obtained by consistent asymptotic balancing of Maxwell’s equations relative to timescales associated with magnetic diffusion, charge relaxation, and electromagnetic wave propagation. In ALEGRA, the electroquasistatic approximation is used for ferroelectric (FE) modeling, while the magnetoquasistatic approximation is used for magnetohydrodynamic (MHD) modeling. In this paper we introduce for the first time a detailed derivation of a useful quasi-steady “low-R m ” variant of the MHD approximation applicable for cases, such as with detonators, where the thermodynamic pressure arising from Joule heating dominates over magnetic forces. An additional purpose of this paper is to present a coupling mode using Multiple Program-Multiple Data (MPMD) message passing communication that allows the user to run 3D FE problems together with 2D and/or 3D MHD problems with the respective simulation domains coupled through a common circuit equation. The MPMD coupling capability is used here to model the dynamic coupling of a notional ferroelectric generator with an RP-87 exploding bridgewire detonator. The simulated bridgewire heats up and bursts under current generated by simulated depoling of the ferroelectric generator, as a demonstration of the MPMD capability.

42 ENGINEERING↗
DOE OSTI2021

Coupling Surface Flow with High-performance Subsurface Reactive Flow and Transport Code PFLOTRAN

Water exchange between the surface and subsurface is important for both water resource management and environmental protection. In this paper, we develop coupled surface and subsurface flow simulation capability in a parallel subsurface flow and reactive transport code PFLOTRAN. We sequentially couple the diffusion wave-based surface flow with the subsurface flow governedby the Richards equation in PFLOTRAN. These two flow domains are linked with a boundary condition switching method that ensures continuity of pressure and flux at the surface-subsurface interface. We verify the coupled code against other existing hydrologic models and observation data using a number of numerical experiments. The coupled hydrological model exhibits good performance in strong parallel scaling tests. The new coupled surface and subsurface simulator significantly advance community simulation capability towards improving integrated hydrologic and biogeochemical understanding of complex systems such as watersheds and river corridors. Keywords: Surface flow, Integrated hydrological modeling, Boundary condition switching, Parallel computing

Wu, Runjian↗
DOE OSTI2024

Phase-field modeling of crack growth under coupled creep-fatigue

Crack growth under coupled creep-fatigue strongly influences service life of metallic components operating at high temperatures. However, there lack numerical models that enable direct simulations of crack growth and plasticity development under coupled creep-fatigue. Here, in this study, a unified phase-field model is developed for simulating crack growth under fatigue, creep, and coupled creep-fatigue. This model is able to reproduce the Paris laws for both brittle and ductile materials in pure fatigue mode, which shows that the degradation rate due to cyclic stress in ductile materials is generally larger than that in brittle materials. Fatigue simulations with different yield strengths demonstrate that plasticity facilitates crack growth in typical ductile materials. High-throughput simulations are performed under coupled creep-fatigue conditions, with varying hold-stress levels and hold-time. By analyzing crack growth rate under different hold-time, a creep-fatigue interaction term is obtained. Simulation results demonstrate that the creep-fatigue interaction is caused by smaller stress gradient and enhanced degradation rate ahead of the crack tips under coupled creep-fatigue, compared to the situation of pure fatigue. This work reveals the origin of different Paris-law exponents in brittle and ductile materials and demonstrates how the interplay between creep and fatigue affects crack growth.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermal coupling-decoupling mechanism of heat transfer across van der Waals interfaces in n-eicosane

Progress toward improving thermal transport properties of n-eicosane, a promising phase change material for thermal energy storage near human body temperature, is hindered by lack of a general theoretical framework to model thermal interfacial conductance (TIC) of the van der Waals (vdW) force bonded molecular interfaces, which have little compositional/structural mismatch. Combining molecular dynamics simulations at temperatures up to the melting point and a time-domain analysis of interfacial heat currents in individual molecules, we unveil that (1) the heat flux across a molecular vdW interface has an alternating coupling-decoupling pattern at the single molecule level due to thermal fluctuations, and (2) the net heat transfer during the thermally coupled periods is orders of magnitude larger than that during the thermally decoupled periods. Furthermore, we demonstrate that a vdW interface's TIC correlates almost linearly with two atomistic-scale coupling-decoupling parameters: αc and σc, that represent the duration and strength of the thermal coupling, respectively. This thermal coupling-decoupling mechanism proposes a new paradigm that explicitly accounts for the effects of structural flexibility and dynamical fluctuation on heat transfer across molecular interfaces, and will likely provide new insights into modeling thermal transport properties in a wide-ranging soft materials, including self-assembled monolayers, paraffins or lipids.

42 ENGINEERING↗
DOE OSTI2012

Synthesis of monodisperse spherical nanometer ZrO{sub 2} (Y{sub 2}O{sub 3}) powders via the coupling route of w/o emulsion with urea homogenous precipitation

Graphical abstract: In this paper, the weight loss and reaction evolution of ZrO{sub 2} precursor powders are determined by TG-DTA, and 600 Degree-Sign C is the most reasonable calcination temperature of precursor according to the TG-DTA. At the same time, we study the effect of reaction conditions upon the particle sizes, such as concentration of zirconium nitrate solution, reaction temperature and urea content. TEM micrographs of zirconia powders indicated that ZrO{sub 2} nano-powders prepared via the coupling route of w/o emulsion with homogenous precipitation possess spherical shape and excellent dispersing. Highlights: Black-Right-Pointing-Pointer The monodisperse spherical nanometer ZrO{sub 2} (Y{sub 2}O{sub 3}) powders have been prepared via the coupling route of w/o emulsion with urea homogenous precipitation. Black-Right-Pointing-Pointer The principle of the coupling route of emulsion with homogenous precipitation has been studied. Black-Right-Pointing-Pointer The concentration of zirconium nitrate, reaction temperature of water bath and the quantity of urea effect regularly on the average particle size of products. -- Abstract: Using xylol as the oil phase, span-80 as the surfactant, and an aqueous solution containing zirconium (3 mol% Y{sub 2}O{sub 3}) and urea as the water phase, tetragonal phase ZrO{sub 2} nano-powders have been prepared via the coupling route of w/o emulsion with urea homogenous precipitation. The effects of the zirconium concentration, the reaction temperature and the urea content on the average size of the products have been examined. The as-prepared ZrO{sub 2} powders and the precursor powders were characterized by TGA-DTA, XRD, TEM and BET. Experimental results indicate that ZrO{sub 2} powders prepared via the coupling route of w/o emulsion with urea homogenous precipitation possess some excellent characteristics, such as well-rounded spherical shape and excellent dispersing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Equilibration and hydrodynamics at strong and weak coupling

We give an updated overview of both weak and strong coupling methods to describe the approach to a plasma described by viscous hydrodynamics, a process now called hydrodynamisation. At weak coupling the very first moments after a heavy ion collision is described by the colour-glass condensate framework, but quickly thereafter the mean free path is long enough for kinetic theory to become applicable. Recent simulations indicate thermalization in a time t ~ 40 (η/s) 4/3 / T , with $\tau$ the temperature at that time and η/s the shear viscosity divided by the entropy density. At (infinitely) strong coupling it is possible to mimic heavy ion collisions by using holography, which leads to a dual description of colliding gravitational shock waves. The plasma formed hydrodynamises within a time of 0.41/$\tau$ recent extension found corrections to this result for finite values of the coupling, when is bigger than the canonical value of 1/4$\pi$, which leads to t ~ (.41+1.6(η/s-1/4$\pi$))/ T . Moreover, future improvements include the inclusion of the effects of the running coupling constant in QCD.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Landau-Zener transition between two levels coupled to continuum

We report for a Landau-Zener transition in a two-level system, the probability for a particle, initially in the first level, i, to survive the transition and to remain in the first level, depends exponentially on the square of the tunnel matrix element between the two levels. This result remains valid when the second level, f, is broadened due to e.g. coupling to continuum (Akulin and Schleich (1992) [26]). If the level, i, is also coupled to continuum, albeit much weaker than the level f, a particle, upon surviving the transition, will eventually escape. However, for shorter times, the probability to find the particle in the level i after crossing f is enhanced due to the coupling to continuum. This, as shown in the present paper, is the result of a second-order process, which is an additional coupling between the levels. The underlying mechanism of this additional coupling is virtual tunneling from i into continuum followed by tunneling back into f.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Fusion of 40Ca + 96Zr revisited: Transfer couplings and hindrance far below the barrier

The sub-barrier fusion excitation function of 40Ca + 96Zr has been measured down to cross sections ≃2.4 μb, i.e. two orders of magnitude smaller than obtained in a previous experiment, where the sub-barrier fusion of this system was found to be greatly enhanced with respect to 40Ca + 90Zr, and the need of coupling to transfer channels was suggested relying on coupled-channels calculations. The purpose of this work has been to investigate the behavior of 40Ca + 96Zr fusion far below the barrier, thereby disentangling the elusive interplay of effects due to inelastic couplings, transfer couplings and, possibly, the appearance of the fusion hindrance. The smooth trend of the excitation function has been found to continue, and the logarithmic slope increases very slowly. No indication of hindrance shows up, and a comparison with 48Ca + 96Zr is illuminating in this respect. A new CC analysis of the complete excitation function has been performed, including explicitly one- and two-nucleon Q>0 transfer channels. Such transfer couplings bring significant cross section enhancements, even at the level of a few μb. Locating the hindrance threshold, if any, in 40Ca + 96Zr would require challenging measurements of cross sections in the sub-μb range.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

A low-frequency variational model for energetic particle effects in the pressure-coupling scheme

Energetic particle effects in magnetic confinement fusion devices are commonly studied by hybrid kinetic-fluid simulation codes whose underlying continuum evolution equations often lack the correct energy balance. While two different kinetic-fluid coupling options are available (current coupling and pressure coupling), this paper applies the Euler–Poincaré variational approach to formulate a new conservative hybrid model in the pressure-coupling scheme. In our case the kinetics of the energetic particles are described by guiding center theory. The interplay between the Lagrangian fluid paths and phase space particle trajectories reflects an intricate variational structure which can be approached by letting the four-dimensional guiding center trajectories evolve in the full six-dimensional phase space. Then, the redundant perpendicular velocity is integrated out to recover a four-dimensional description. A second equivalent variational approach is also reported, which involves the use of phase space Lagrangians. Not only do these variational structures confer on the new model a correct energy balance, but also they produce a cross-helicity invariant which is lost in the other pressure-coupling schemes reported in the literature.

Physics↗
DOE OSTI2026

Multi-Spectroscopic Determination of Exchange Coupling, Zero-Field Splitting, and g-Matrices in Radical-Bridged Dinuclear Fe(III) Complexes

When the energy gap, Δ, between the lowest-lying spin manifolds within a spin-exchange coupled molecule approaches Δ/k B ≈ 300 K, the traditional temperature-dependence (T < 400 K) of the molar magnetic susceptibility is not always a reliable way to obtain a good estimate of intramolecular exchange couplings. We develop a spectroscopic approach capable of accurately parametrizing complex magnetic Hamiltonians by exploiting the separation of the anisotropy and exchange energy scales in strongly coupled magnetic molecules. Specifically, we combine inelastic neutron scattering, high-frequency electron paramagnetic resonance, far-infrared magneto-spectroscopy and magnetometry, and obtain detailed information about the magnetic properties of a series of diiron complexes derived from [[Fe(cth)] 2 (dxbq)] 3+ (H 2 dxbq: 2,5-dihydroxy-1,4-benzoquinone (x = h) or 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone (x = c), cth: 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane). Well-isolated S = 9/2 ground states emerge due to strong direct antiferromagnetic exchange between the Fe 3+ centers (S = 5/2) and the radical bridging benzoquinone ligand (S = 1/2). The specific sensitivities and transition selection rules of the applied methods allow us to determine the parameters of the microscopic Hamiltonian including exchange coupling, fourth-order Stevens operators and g-factors. Our methodology is directly portable to other strongly coupled molecular compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Comparative Density Functional Theory Study of Magnetic Exchange Couplings in Dinuclear Transition-Metal Complexes

Multicenter transition-metal complexes (MCTMs) with magnetically interacting ions have been proposed as components for information-processing devices and storage units. For any practical application of MCTMs as magnetic units, it is crucial to characterize their magnetic behavior, and in particular, the isotropic magnetic exchange coupling, J, between its magnetic centers. Due to the large size of typical MCTMs, density functional theory is the only practical electronic structure method for evaluating the J coupling. Here, we assess the accuracy of different density functional approximations for predicting the magnetic couplings of eight dinuclear transition-metal complexes, including five dimanganese, two dicopper, and one divanadium with known reliable experimental J couplings spanning from ferromagnetic to strong antiferromagnetic. The density functionals considered include global hybrid functionals which mix semilocal density functional approximations and exact exchange with a fixed admixing parameter, six local hybrid functionals where the admixing parameters are extended to be spatially dependent, the SCAN and r 2 SCAN meta-generalized gradient approximations (GGAs), and two widely used GGAs. We found that global hybrids tested in this work have a tendency to over-correct the error in magnetic coupling parameters from the Perdew–Burke–Ernzerhof (PBE) GGA as seen for manganese complexes. The performance of local hybrid density functionals shows no improvement in terms of bias and is scattered without a clear trend, suggesting that more efforts are needed for the extension from global to local hybrid density functionals for this particular property. The SCAN and r 2 SCAN meta-GGAs are found to perform as well as benchmark global hybrids on most tested complexes. We further analyze the charge density redistribution of meta-GGAs as well as global and local hybrid density functionals with respect to that of PBE, in connection to the self-interaction error or delocalization error.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗