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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Spatial coupling of gyrokinetic simulations, a generalized scheme based on first-principles

In this paper, we present a scheme that spatially couples two gyrokinetic codes using first-principles. Coupled equations are presented and a necessary and sufficient condition for ensuring accuracy is derived. This new scheme couples both the field and the particle distribution function. The coupling of the distribution function is only performed once every few time-steps, using a five-dimensional (5D) grid to communicate the distribution function between the two codes. This 5D grid interface enables the coupling of different types of codes and models, such as particle and continuum codes, or delta-f and total-f models. Transferring information from the 5D grid to the marker particle weights is achieved using a new resampling technique. Demonstration of the coupling scheme is shown using two XGC gyrokinetic simulations for both the core and edge. We also apply the coupling scheme to two continuum simulations for a one-dimensional advection–diffusion problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

In-plane plasmon coupling in topological insulator Bi 2 Se 3 thin films

The surface states of the 3D topological insulator (TI), Bi 2 Se 3 , are known to host two-dimensional Dirac plasmon polaritons (DPPs) in the terahertz spectral range. In TI thin films, the DPPs excited on the top and bottom surfaces couple, leading to an acoustic mode and an optical plasmon mode. Vertical coupling in these materials is, therefore, reasonably well-understood, but in-plane coupling among localized TI DPPs has yet to be investigated. In this paper, we demonstrate in-plane DPP coupling in TI stripe arrays and show that they exhibit dipole–dipole type coupling. Here, the coupling becomes negligible when the lattice constant is greater than approximately 2.8 times the stripe width, which is comparable to results for in-plane coupling of localized plasmons excited on metallic nanoparticles or graphene plasmon polaritons. This understanding could be leveraged for the creation of TI-based metasurfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Degenerate coupled-cluster theory

A size-extensive, converging, black-box, ab initio coupled-cluster (ΔCC) ansatz is introduced that computes the energies and wave functions of states from any degenerate or nondegenerate Slater-determinant references with any numbers of α- and β-spin electrons, any patterns of orbital occupancy, any spin multiplicities, and any spatial symmetries. For a nondegenerate reference, it reduces to the single-reference coupled-cluster ansatz. For a degenerate multireference, it is a natural coupled-cluster extension of degenerate Møller–Plesset perturbation (ΔMP) theory. For ionized and electron-attached references, it is a coupled-cluster Green’s function, although the present theory is convergent toward the full-configuration-interaction limits, while the Feynman–Dyson many-body Green’s function (MBGF) theory generally is not. Its single-excitation instance is a projection Hartree–Fock theory as per the Thouless theorem, which may be useful for core ionizations, high-spin states, and possibly electron affinities. Additionally, a new multireference coupled-cluster theory for a general model space is developed. This quasidegenerate coupled-cluster (QCC) theory is exactly converging, but not black-box, and intended for strong correlation. Determinant-based, general-order algorithms of ΔCC and QCC theories are implemented and compared with configuration-interaction (CI) and equation-of-motion coupled-cluster (EOM-CC) theories through octuple excitations and with ΔMP and MBGF theories up to the nineteenth order. An algebraic, optimal-scaling algorithm of the ΔCC theory is computer-synthesized at the levels of single excitations (ΔCCS) and of single and double excitations (ΔCCSD). As a result, the order of performance is QCC ≈ ΔCC > EOM-CC > CI at the same order or QCC ≈ ΔCC > ΔMP > MBGF at the same cost scaling.

Hirata, So [University of Illinois at Urbana-Champ↗

DOE OSTI2015

The variation of the fine-structure constant from disformal couplings

We study a theory in which the electromagnetic field is disformally coupled to a scalar field, in addition to a usual non-minimal electromagnetic coupling. We show that disformal couplings modify the expression for the fine-structure constant, α. As a result, the theory we consider can explain the non-zero reported variation in the evolution of α by purely considering disformal couplings. We also find that if matter and photons are coupled in the same way to the scalar field, disformal couplings itself do not lead to a variation of the fine-structure constant. A number of scenarios are discussed consistent with the current astrophysical, geochemical, laboratory and the cosmic microwave background radiation constraints on the cosmological evolution of α. The models presented are also consistent with the current type Ia supernovae constraints on the effective dark energy equation of state. We find that the Oklo bound in particular puts strong constraints on the model parameters. From our numerical results, we find that the introduction of a non-minimal electromagnetic coupling enhances the cosmological variation in α. Better constrained data is expected to be reported by ALMA and with the forthcoming generation of high-resolution ultra-stable spectrographs such as PEPSI, ESPRESSO, and ELT-HIRES. Furthermore, an expected increase in the sensitivity of molecular and nuclear clocks will put a more stringent constraint on the theory.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Superfluid transition temperature and fluctuation theory of spin-orbit- and Rabi-coupled fermions with tunable interactions

Here, we obtain the superfluid transition temperature of equal Rashba-Dresselhaus spin-orbit- and Rabi-coupled Fermi superfluids, from the Bardeen-Cooper-Schrieffer (BCS) to Bose-Einstein condensate (BEC) regimes in three dimensions for tunable s-wave interactions. In the presence of Rabi coupling, we find that spin-orbit coupling enhances (reduces) the critical temperature in the BEC (BCS) limit. For fixed interactions, we show that spin-orbit coupling can convert a first-order (discontinuous) phase transition into a second-order (continuous) phase transition, as a function of Rabi coupling. We derive the Ginzburg-Landau free energy to sixth power in the superfluid order parameter to describe both continuous and discontinuous phase transitions as a function of spin-orbit and Rabi couplings. Lastly, we develop a time-dependent Ginzburg-Landau fluctuation theory for an arbitrary mixture of Rashba and Dresselhaus spin-orbit couplings at any interaction strength.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2022

Multimode Strong Coupling in Cavity Optomechanics

Optomechanical systems show great potential as quantum transducers and information storage devices for use in future hybrid quantum networks. In this context, optomechanical strong coupling can enable efficient, high-bandwidth, and deterministic transfer of quantum states. While optomechanical strong coupling has been realized at optical frequencies, it has proven difficult to identify a robust optomechanical system that features the low loss and high coupling rates required for more sophisticated control of mechanical motion. In this paper, we demonstrate strong coupling in a Brillouin-based bulk cavity optomechanical system in both the single-mode and the multimode strong-coupling regime, which leads to a useful device both for applications in quantum information and for investigating decoherence phenomena in bulk acoustic wave resonators. Using nontrivial mode hybridizations in the strong-coupling regime, we create hybridized photonic-phononic modes with lifetimes that are significantly longer than those of the uncoupled system. This surprising lifetime enhancement, which results from the interference of decay channels, showcases the use of multimode strong coupling as a general strategy to control extrinsic decoherence mechanisms. Moreover, phonons supported by such bulk-acoustic-wave resonators have a collection of properties, including high frequencies, long coherence times, and robustness against thermal decoherence, that make this optomechanical system particularly enticing for applications such as quantum transduction and memories. Hence, this system provides access to phenomena in a previously unexplored regime of optomechanical interactions and could serve as an important building block for future quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

D-brane disformal coupling and thermal dark matter

Conformal and disformal couplings between a scalar field and matter occur naturally in general scalar-tensor theories. In D-brane models of cosmology and particle physics, these couplings originate from the D-brane action describing the dynamics of its transverse (the scalar) and longitudinal (matter) fluctuations, which are thus coupled. During the post-inflationary regime and before the onset of big bang nucleosynthesis (BBN), these couplings can modify the expansion rate felt by matter, changing the predictions for the thermal relic abundance of dark matter particles and thus the annihilation rate required to satisfy the dark matter content today. We study the D-brane-like conformal and disformal couplings effect on the expansion rate of the Universe prior to BBN and its impact on the dark matter relic abundance and annihilation rate. For a purely disformal coupling, the expansion rate is always enhanced with respect to the standard one. This gives rise to larger cross sections when compared to the standard thermal prediction for a range of dark matter masses, which will be probed by future experiments. In a D-brane-like scenario, the scale at which the expansion rate enhancement occurs depends on the string coupling and the string scale.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Probing the Higgs Couplings to Photons in h→4l at the LHC

We explore the sensitivity of the Higgs decay to four leptons, the so-called golden channel, to higher dimensional loop-induced couplings of the Higgs boson to $ZZ$, $Z\gamma$, and $\gamma\gamma$, allowing for general CP mixtures. The larger standard model tree level coupling $hZ^\mu Z_\mu$ is the dominant "background" for the loop induced couplings. However this large background interferes with the smaller loop induced couplings, enhancing the sensitivity. We perform a maximum likelihood analysis based on analytic expressions of the fully differential decay width for $h\to 4\ell$ ($4\ell \equiv 2e2\mu, 4e, 4\mu$) including all interference effects. We find that the spectral shapes induced by Higgs couplings to photons are particularly different than the $hZ^\mu Z_\mu$ background leading to enhanced sensitivity to these couplings. We show that even if the $h\to\gamma\gamma$ and $h\to 4\ell$ rates agree with that predicted by the Standard Model, the golden channel has the potential to probe both the CP nature as well as the overall sign of the Higgs coupling to photons well before the end of high-luminosity LHC running ($\sim$3 ab$^{-1}$).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2015

Loosely Coupled In Situ Visualization: A Perspective on Why It's Here to Stay

In this position paper, we argue that the loosely coupled in situ processing paradigm will play an important role in high performance computing for the foreseeable future. Loosely coupled in situ is an enabling technique that addresses many of the current issues with tightly coupled in situ, including, ease-of-integration, usability, and fault tolerance. We survey the prominent positives and negatives of both tightly coupled and loosely coupled in situ and present our recommendation as to why loosely coupled in situ is an enabling technique that is here to stay. We then report on some recent experiences with loosely coupled in situ processing, in an effort to explore each of the discussed factors in a real-world environment.

Kress, James M.↗

DOE OSTI2023

Intra-molecular coupling within double-segmented molecules impacting magnetic tunnel junction-based molecular spintronics devices

The intra-molecular coupling within multiple units of paramagnetic molecules can produce various effects on molecular spintronics devices (MSD). Here, this paper focuses on double-segmented molecules as the device element to advance understanding of the Impact of internal molecular structure on magnetic tunnel junction-based MSD (MTJMSD). We performed Monte Carlo simulations (MCS) to fill the knowledge gap about the intramolecular coupling role in the magnetic properties of the MTJMSD. This study explored a double-segmented molecule containing two atomic sections, each with a net spin state interacting via Heisenberg exchange coupling within molecules and with ferromagnetic electrodes at different thermal energies, magnetic fields, and coupling strengths. This study also investigated the effect of magnetic field on the double-segmented molecule-based cross-junction-shaped MTJMSD. We also compared the effect of the magnetic field on the mono and double-segmented molecules when connected to two ferromagnetic electrodes. In the strong coupling regime, the intramolecular coupling and molecule coupling with the two ferromagnetic electrodes dominated the MTJMSD response near the molecular junction area. This study provides insight for evaluating the impact of molecular nanostructure internal connectedness on the integrated MSD.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Demonstration of Fully Coupled Calculations in Helical Steam Generator: Toward Predictions of Fluid Elastic Instability

The NEAMS program aims to develop an integrated multi-physics simulation capability “pellet-to-plant” for the design and analysis of future generations of nuclear power plants. In particular, the Reactor Product Line code suite's multi-resolution hierarchy is being designed to ultimately span the full range of length and time scales present in relevant reactor design and safety analyses, as well as scale from desktop to petaflop computing platforms. Flow-induced vibration (FIV) is widespread problem in energy systems because they rely on fluid movement for energy conversion. Vibrating structures may be damaged as fatigue or wear occurs. Given the importance of reliable components in the nuclear industry, flow-induced vibration has long been a major concern in safety and operation of nuclear reactors. In particular, nuclear fuel rods and steam generators have been known to suffer from flow-induced vibration and related failures. Advanced reactors, such as integral Pressurized Water Reactors (PWRs) considered for Small Modular Reactors (SMR), often rely on innovative component designs to meet cost and safety targets. One component that is the subject of advanced designs is the steam generator, some designs of which forego the usual shell-and-tube architecture in order to fit within the primary vessel. In addition to being more cost- and space-efficient, such steam generators need to be more reliable, since failure of the primary vessel represents a potential loss of coolant and a safety concern. A significant amount of data exists on flow-induced vibration in shell-and-tube heat exchangers, and heuristic methods are available to predict their occurrence based on a set of given assumptions. In contrast, advanced designs have far less data available. Advanced modeling and simulation based on coupled structural and fluid simulations have the potential to predict flow-induced vibration in a variety of designs, reducing the need for expensive experimental programs, especially at the design stage. Over the past seven years, the Reactor Product Line has developed the integrated multi-physics code suite SHARP. The goal of developing such a tool is to perform multi-physics neutronics, thermal/fluid, and structural mechanics modeling of the components inside the full reactor core or portions of it with a user-specified fidelity. In particular SHARP contains high-fidelity single-physics codes Diablo for structural mechanics and Nek5000 for fluid mechanics calculations. Both codes are state-of-the-art, highly scalable tools that have been extensively validated. These tools form a strong basis on which to build a flow-induced vibration modeling capability. In the last two years a significant effort was devoted to 1) develop and validate a fully coupled capability in SHARP for Fluid-Structure calculations (FSI) and 2) validate the use of SHARP for one-way coupled calculations in helical steam generators on legacy data available as well as novel experiments. In this report we discuss an extension of previous one-way coupled calculations performed with Nek5000 and Diablo aimed at simulating available FIV experiments in helical steam generators in the turbulent buffeting regime. It was demonstrated that in the buffeting regime one-way coupling was judged sufficient because the pressure loads do not cause substantial displacements. However, higher speeds led to a reduction in accuracy and the need for a fully coupled capability for velocity or approaching the critical velocity and fluid elastic instability. In this report we demonstrate such fully coupled capability on the Argonne test case discussed in previous reports.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Coupling of CTF and TRACE for Modeling of Transients

This report documents the improvements that have been made to the capabilities for coupling CTF to systems codes-specifically, the US Nuclear Regulatory Commission (NRC) TRACE code. An initial systems coupling capability had been set up previously using a nonoverlapping domain approach with the codes exchanging data at the core boundaries. The present work adds a new approach using overlapping domains, in which the system code models the core as well. A new input format has been added to allow the user to specify the physical quantities to be exchanged and their location in the system model, which gives the flexibility of applying one-way or two-way coupling between the codes using the desired data exchanges. In addition to applying thermal-hydraulics (T/H) boundary condition (BC) values obtained from TRACE, a capability was added to allow CTF to apply flow resistance feedback to TRACE to match the CTF core pressure drop. Support was added for executing parallel CTF models within the CTF-systems coupling. The system coupling capability was successfully applied to a parallel MSLB transient, demonstrating that both the one-way and two-way coupling behaved as expected and provided substantial improvements to numerical stability and routine compared to the previous nonoverlapping domain coupling. An initial capability was also developed for performing restart calculations in CTF which will be used in the future for restarting CTF-TRACE simulations at specific points in the transient simulation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1984

A preliminary look at the effects of coupled lateral modes on aircraft handling qualities

Analytic and six-degree-of-freedom motion base simulator studies have been conducted to better understand how the coupled roll-spiral and coupled roll-aileron actuator modes affect aircraft handling qualities. The results reported herein are preliminary and are subject to change until other aircraft and several more data points can be examined. The results obtained thus far indicate that when the roll-spiral coupled mode is brought about by unusual values of an aircraft's stability and control derivatives, the lateral-directional handling qualities will invariably be degraded. However, when the roll spiral coupling is brought about by a roll-rate command/roll-attitude hold stability and control augmentation system (SCAS), the requirements for satisfactory handling qualities can be correlated to the natural frequency and the damping of the coupled mode. Satisfactory handling qualities were also achieved when the lateral SCAS brought about a coupling of the roll mode with the aileron actuator mode. In this case, the pilot ratings indicate that the handling qualities may be correlated to the natural frequency of the coupled roll-aileron mode.

Ruflin, S. J.↗

NASA NTRS1989

Superfluid Helium Orbital Resupply Coupling

The resupply of superfluid helium to satellites and other space-based experiment packages can increase the useful longevity of these devices far beyond their present life expectancies which are many times determined by the supply of helium coolant. The transfer of superfluid helium to spacecraft in space will require a reusable coupling that functions at 1.8 Kelvin with little heat leak and low pressure drop. Moog has designed the Helium Resupply Coupling to meet these operational requirements. Initially, the coupling manual mode operation will be demonstrated on orbit by an EVA crew member during the Space Shuttle borne Superfluid Helium On-Orbit Transfer (SHOOT) experiment. The ultimate application will use robotic (automatic) coupling operation to which the present design readily adapts. The utilization of Moog's exclusive Rotary Shut-Off (RSO) technology in the development of the Superfluid Helium Resupply Coupling is described. The coupling not only performs the function of a flow control valve and disconnect but also provides adequate safety features for a shuttle launched man-rated payload. In addition, the coupling incorporates the necessary features to provide the high thermal isolation of the internal flow path from the external environment.

Ryder, M. O.↗

NASA NTRS1990

The effects of structural flap-lag and pitch-lag coupling on soft inplane hingeless rotor stability in hover

A 1.62-m-diameter rotor model was tested in hover to examine the effects of structural flap-lag and pitch-lag coupling on isolated rotor blade lead-lag stability. Flap-lag coupling was introduced by inclining the principal axes of the blade structure up to 60 degrees. Pitch-lag coupling was obtained either alone or in combination with flap-lag coupling through the use of skewed flexural hinges. The principal results confirm the predictions of theory, and show that both structural flap-lag and pitch-lag coupling when used separately are beneficial to blade stability. Moreover, when the couplings are combined, the lead-lag damping is significantly greater than it would be if the individual contributions were superimposed. Pitch-flap coupling is shown to have only a minor effect on blade lead-lag damping. Differences between theory and experiment observed at zero blade pitch and flexure angles during the initial testing were determined in a second test to be caused by stand flexibility. Other differences between theory and experiment warrant further investigation.

Bousman, William G.↗

NASA NTRS1992

Coupling device with improved thermal interface

The primary object of the present invention is to provide a simple, reliable, and lightweight coupling that will also have an efficient thermal interface. A further object of the invention is to provide a coupling that is capable of blind mating with little or no insertion forces. Another object of the invention is to provide a coupling that acts as a thermal regulator to maintain a constant temperature on one side of the coupling. Another object of the invention is to increase the available surface area of a coupling thus providing a larger area for the conduction of heat across the thermal interface. Another object of the invention is to provide a fluidic coupling that has no fluid passing across the interface, thus reducing the likelihood of leaks and contamination. The foregoing objects are achieved by utilizing, as in the prior art, a hot area (at an elevated temperature as compared to a cold area) with a need to remove excess heat from the hot area to a cold area. In this device, the thermal interface will occur not on a planar horizontal surface, but along a non-planar vertical surface, which will reduce the reaction forces and increase the thermal conductivity of the device. One non-planar surface is a surface on a cold pin extending from the cold area and the other non-planar surface is a surface on a hot pin extending from the hot area. The cold pin is fixed and does not move while the hot pin is a flexible member and its movement towards the cold pin will bring the two non-planar surfaces together forming the thermal interface. The actuating member for the device is a shape-memory actuation wire which is attached through an aperture to the hot pin and through another aperture to an actuation wire retainer. By properly programming the actuation wire, heat from the hot area will cause the actuation wire to bend the hot wire. Heat from the hot area will cause the actuation wire to bend the hot pin towards the cold pin forming the coupling and the desired thermal interface. The shape-memory actuation wire is made of a shape-memory-effect alloy such as Nitinol.

Milam, Malcolm Bruce↗

NASA NTRS1993

Multi-disciplinary coupling effects for integrated design of propulsion systems

Effective computational simulation procedures are described for modeling the inherent multi-disciplinary interactions which govern the accurate response of propulsion systems. Results are presented for propulsion system responses including multi-disciplinary coupling effects using coupled multi-discipline thermal, structural, and acoustic tailoring; an integrated system of multi-disciplinary simulators; coupled material behavior/fabrication process tailoring; sensitivities using a probabilistic simulator; and coupled materials, structures, fracture, and probabilistic behavior simulator. The results demonstrate that superior designs can be achieved if the analysis/tailoring methods account for the multi-disciplinary coupling effects. The coupling across disciplines can be used to develop an integrated coupled multi-discipline numerical propulsion system simulator.

Chamis, C. C.↗

NASA NTRS1993

Aeroelastic response and stability of tiltrotors with elastically-coupled composite rotor blades

There is a potential for improving the performance and aeroelastic stability of tiltrotors through the use of elastically-coupled composite rotor blades. To study the characteristics of tiltrotors with these types of rotor blades it is necessary to formulate a new analysis which has the capabilities of modeling both a tiltrotor configuration and an anisotropic rotor blade. Background for these formulations is established in two preliminary investigations. In the first, the influence of several system design parameters on tiltrotor aeroelastic stability is examined for the high-speed axial flight mode using a newly-developed rigid-blade analysis with an elastic wing finite element model. The second preliminary investigation addresses the accuracy of using a one-dimensional beam analysis to predict frequencies of elastically-coupled highly-twisted rotor blades. Important aspects of the new aeroelastic formulations are the inclusion of a large steady pylon angle which controls tilt of the rotor system with respect to the airflow, the inclusion of elastic pitch-lag coupling terms related to rotor precone, the inclusion of hub-related degrees of freedom which enable modeling of a gimballed rotor system and engine drive-train dynamics, and additional elastic coupling terms which enable modeling of the anisotropic features for both the rotor blades and the tiltrotor wing. Accuracy of the new tiltrotor analysis is demonstrated by a comparison of the results produced for a baseline case with analytical and experimental results reported in the open literature. Two investigations of elastically tailored blades on a baseline tiltrotor are then conducted. One investigation shows that elastic bending-twist coupling of the rotor blade is a very effective means for increasing the flutter velocity of a tiltrotor, and the magnitude of coupling required does not have an adverse effect on performance or blade loads. The second investigation shows that passive blade twist control via elastic extension-twist coupling of the rotor blade has the capability of significantly improving tiltrotor aerodynamic performance. This concept, however, is shown to have, in general, a negative impact on stability characteristics.

Nixon, Mark W.↗