Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “interface coupling”

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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Single-drop reactive extraction/extractive reaction with forced convective diffusion and interphase mass transfer

An algorithm has been developed for time-dependent forced convective diffusion-reaction having convection by a recirculating flow field within the drop that is hydrodynamically coupled at the interface with a convective external flow field that at infinity becomes a uniform free-streaming flow. The concentration field inside the droplet is likewise coupled with that outside by boundary conditions at the interface. A chemical reaction can take place either inside or outside the droplet, or reactions can take place in both phases. The algorithm has been implemented, and for comparison results are shown here for the case of no reaction in either phase and for the case of an external first order reaction, both for unsteady behavior. For pure interphase mass transfer, concentration isocontours, local and average Sherwood numbers, and average droplet concentrations have been obtained as a function of the physical properties and external flow field. For mass transfer enhanced by an external reaction, in addition to the above forms of results, we present the enhancement factor, with the results now also depending upon the (dimensionless) rate of reaction.

Kleinman, Leonid S.↗
NASA NTRS1986

A steerable radiator for spacecraft application

Future large space structures such as the Space Station will have high dissipation and long life requirements which dictate the requirements for steerable radiators. Several rotary coupling concepts were considered to accomplish heat transport across the steerable radiator system's rotating interface. Rotary fluid couplings were chosen over rotary contact couplings or flexible lines because of low temperature gradients and operational flexibility. A rotary fluid coupling has been designed for use on initial operating capability (IOC) and growth Space Station. Its internal seals have been demonstrated to a 10 year life with minimal (0.055 lbm NH3/year) leakage between internal passages. Materials compatibility tests have been conducted to demonstrate compatibility with ammonia. A seal leakage management system has been designed to: (1) monitor pressures between the internal seals, (2) remove leakage, and (3) store the leakage fluid in a reservoir.

Heizer, B. L.↗
DOE OSTI2024

Manipulating Spin–Lattice Coupling in Layered Magnetic Topological Insulator Heterostructure via Interface Engineering

Induced magnetic order in a topological insulator (TI) can be realized either by depositing magnetic adatoms on the surface of a TI or engineering the interface with epitaxial thin film or stacked assembly of 2D van der Waals (vdW) materials. Herein, the observation of spin-phonon coupling in the otherwise non-magnetic TI Bi 2 Te 3 is reported, due to the proximity of FePS 3 (an antiferromagnet (AFM), T N ≈ 120 K), in a vdW heterostructure framework. Temperature-dependent Raman spectroscopic studies reveal deviation from the usual phonon anharmonicity originated from spin-lattice coupling at the Bi 2 Te 3 /FePS 3 interface at/below 60 K in the peak position (self-energy) and linewidth (lifetime) of the characteristic phonon modes of Bi 2 Te 3 (106 and 138 cm –1 ) in the stacked heterostructure. The Ginzburg-Landau (GL) formalism, where the respective phonon frequencies of Bi 2 Te 3 couple to phonons of similar frequencies of FePS 3 in the AFM phase, is adopted to understand the origin of the hybrid magneto-elastic modes. At the same time, the reduction of characteristic TN of FePS 3 from 120 K in isolated flakes to 65 K in the heterostructure, possibly due to the interfacial strain, which leads to smaller Fe-S-Fe bond angles as corroborated by computational studies using density functional theory (DFT). Besides, inserting hexagonal boron nitride within Bi 2 Te 3 /FePS 3 stacking regains the anharmonicity in Bi 2 Te 3 . As a result, controlling interfacial spin-phonon coupling in stacked heterostructure can have potential application in surface code spin logic devices.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Concurrent Image Processing Executive (CIPE)

The design and implementation of a Concurrent Image Processing Executive (CIPE), which is intended to become the support system software for a prototype high performance science analysis workstation are discussed. The target machine for this software is a JPL/Caltech Mark IIIfp Hypercube hosted by either a MASSCOMP 5600 or a Sun-3, Sun-4 workstation; however, the design will accommodate other concurrent machines of similar architecture, i.e., local memory, multiple-instruction-multiple-data (MIMD) machines. The CIPE system provides both a multimode user interface and an applications programmer interface, and has been designed around four loosely coupled modules; (1) user interface, (2) host-resident executive, (3) hypercube-resident executive, and (4) application functions. The loose coupling between modules allows modification of a particular module without significantly affecting the other modules in the system. In order to enhance hypercube memory utilization and to allow expansion of image processing capabilities, a specialized program management method, incremental loading, was devised. To minimize data transfer between host and hypercube a data management method which distributes, redistributes, and tracks data set information was implemented.

Lee, Meemong↗
DOE OSTI2025

Bridging interfacial properties and cell performance: A multiscale model for proton-exchange-membrane fuel cells

Here, to elucidate the impact of local interfaces on mass-transport resistance and overall cell performance of low-loaded proton-exchange-membrane fuel cells (PEMFCs), we present a multiscale modeling framework incorporating a novel modified agglomerate model. The model considers three distinct Pt-electrolyte interfaces: Pt on the carbon surface covered by either ionomer or water film and Pt inside carbon nanopores. Detailed mass-transport voltage-loss breakdowns reveal that coupled agglomerate-interface-scale mass transport dominates the mass-transport loss. The ionomer poisons the exterior-Pt surface through suppressing O 2 adsorption and intrinsic ORR activity, leading to low current-density performance. Conversely, interior-Pt interface enhances the kinetic performance but limits high current-density performance due to its low interfacial permeability. The exterior-Pt/water interface demonstrates superior kinetic performance and mass transport, though its practical implementation requires ensuring proton transport. By coupling the multiscale CL properties with ink parameters, the model identifies an optimal I to C ratio of approximately 0.5, a moderate value where the ionomer content is sufficient to guarantee proton transport without fully covering the Pt surface and forming large agglomeration, thus allowing the utilization of the Pt-water interface and avoiding high mass-transport loss. Overall, the model helps unravel limiting phenomena across different operating regimes and provides routes for optimizing performance.

Cell diagnostic↗
DOE OSTI2022

Coupling, lifetimes, and “strong coupling” maps for single molecules at plasmonic interfaces

The interaction between excited states of a molecule and excited states of a metal nanostructure (e.g., plasmons) leads to hybrid states with modified optical properties. When plasmon resonance is swept through molecular transition frequency, an avoided crossing may be observed, which is often regarded as a signature of strong coupling between plasmons and molecules. Such strong coupling is expected to be realized when 2|$\langle$U$\rangle$|/ℏΓ > 1, where $\langle$U$\rangle$ and Γ are the molecule–plasmon coupling and the spectral width of the optical transition, respectively. Because both $\langle$U$\rangle$ and Γ strongly increase with decreasing distance between a molecule and a plasmonic structure, it is not obvious that this condition can be satisfied for any molecule–metal surface distance. Here, in this work, we investigate the behavior of $\langle$U$\rangle$ and Γ for several geometries. Surprisingly, we find that if the only contributions to Γ are lifetime broadenings associated with the radiative and nonradiative relaxation of a single molecular vibronic transition, including effects on molecular radiative and nonradiative lifetimes induced by the metal, the criterion 2|$\langle$U$\rangle$|/ℏΓ > 1 is easily satisfied by many configurations irrespective of the metal–molecule distance. This implies that the Rabi splitting can be observed in such structures if other sources of broadening are suppressed. Additionally, when the molecule–metal surface distance is varied keeping all other molecular and metal parameters constant, this behavior is mitigated due to the spectral shift associated with the same molecule–plasmon interaction, making the observation of Rabi splitting more challenging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Large Dzyaloshinskii-Moriya interaction induced by chemisorbed oxygen on a ferromagnet surface

The Dzyaloshinskii-Moriya interaction (DMI) is an antisymmetric exchange interaction that stabilizes chiral spin textures. It is induced by inversion symmetry breaking in noncentrosymmetric lattices or at interfaces. Recently, interfacial DMI has been found in magnetic layers adjacent to transition metals due to the spin-orbit coupling and at interfaces with graphene due to the Rashba effect. We report direct observation of strong DMI induced by chemisorption of oxygen on a ferromagnetic layer at room temperature. The sign of this DMI and its unexpectedly large magnitude—despite the low atomic number of oxygen—are derived by examining the oxygen coverage–dependent evolution of magnetic chirality. We find that DMI at the oxygen/ferromagnet interface is comparable to those at ferromagnet/transition metal interfaces; it has enabled direct tailoring of skyrmion’s winding number at room temperature via oxygen chemisorption. This result extends the understanding of the DMI, opening up opportunities for the chemisorption-related design of spin-orbitronic devices.

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

Interface Carriers and Enhanced Electron-Phonon Coupling Effect in Al 2 O 3 /TiO 2 Heterostructure Revealed by Resonant Inelastic Soft X-Ray Scattering

The electronic structure and the electron-phonon couplings in a novel mass-production-compatible Al 2 O 3 /TiO 2 2D electron system (2DES) are investigated using resonant inelastic soft X-ray scattering. The experimental data from the samples of various TiO 2 thicknesses unequivocally show that the Ti 3+ state indeed exists at the deep interface to serve as an n-type dopant for the 2DES. Here, the electronic structure of Ti 3+ species is scrutinized as entirely separated from that of the Ti 4+ host lattice. Furthermore, features of sub-eV energy loss phonon modes are clearly observed, indicating substantial electron-phonon coupling effects. Such low energy loss features are enhanced in thinner TiO 2 samples, implying that polaronic local lattice deformation is enhanced due to the presence of Ti 3+ . These findings suggest that the 2DES properties can be controlled via well-established TiO 2 engineering, thereby enthroning the binary oxide heterostructure as a promising candidate for 2DES device applications.

2D electron gas↗
NASA NTRS1984

Coupled convective instabilities at crystal-melt interfaces

The stability of the parallel flow between a vertical crystal-melt interface and a vertical wall held at a temperature above the melting point of the crystal is analyzed for Prandtl numbers, P, ranging from 0.01 to 100. Three modes of instability occur: (1) a buoyant mode, (2) a shear mode, and (3) a coupled crystal-melt mode. The buoyant and shear modes are similar to those that occur for flow between two vertical rigid walls held at different temperatures. For Prandtl numbers greater than approximately two, the coupled crystal-melt mode occurs at a lower Grashof number than the other two modes. Specific results are given for succinonitrile (P = 22.8) and lead (P = 0.0225). These calculations and similar calculations for a cylindrical geometry were motivated by and are in general agreement with recent experiments on succinonitrile.

Coriell, S. R.↗
DOE OSTI2025

Modeling Framework to Predict Melting Dynamics at Microstructural Defects in TNT-HMX High Explosive Composites

Many high explosive (HE) formulations are composite materials whose microstructure is understood to impact functional characteristics. Interfaces are known to mediate the formation of hot spots that control their safety and initiation. Here, to study such processes at molecular scales, we developed all-atom force fields (FFs) for Octol, a prototypical HE formulation comprised of TNT (2,4,6-trinitrotoluene) and HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine). We extended a FF for TNT and recasted it in a form that can be readily combined with a well-established FF for HMX. The resulting FF was extensively validated against experimental results and density functional theory calculations. We applied the new combined TNT-HMX FF to predict and rank surface and interface energies, which indicate that there is an energetic driver for coarsening of microstructural grains in TNT-HMX composites. Finally, we assess the impact of several microstructural environments on the dynamic melting of TNT crystal under ultrafast thermal loading. We find that both free surfaces and planar material interfaces are effective nucleation points for TNT melting. However, MD simulations show that TNT crystal is prone to superheating by at least 50 K on subnanosecond time scales and that the degree of superheating is inversely correlated with surface and interface energy. The modeling framework presented here will enable future studies on hot spot formation processes in accident scenarios that are governed by strong coupling between microstructural interfaces, material mechanics, momentum and energy transport, phase transitions, and chemistry.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electrical Transport Interplay with Charge Density Waves, Magnetization, and Disorder Tuned by 2D van der Waals Interface Modification via Elemental Intercalation and Substitution in ZrTe 3 , 2H-TaS 2 , and Cr 2 Si 2 Te 6 Crystals

Electrical transport in 2D materials exhibits unique behaviors due to reduced dimensionality, broken symmetries, and quantum confinement. It serves as both a sensitive probe for the emergence of coherent electronic phases and a tool to actively manipulate many-body correlated states. Exploring their interplay and interdependence is crucial but remains underexplored. This review integratively cross-examines the atomic and electronic structures and transport properties of van der Waals-layered crystals ZrTe 3 , 2H-TaS 2 , and Cr 2 Si 2 Te 6 , providing a comprehensive understanding and uncovering new discoveries and insights. A common observation from these crystals is that modifying the atomic and electronic interface structures of 2D van der Waals interfaces using heteroatoms significantly influences the emergence and stability of coherent phases, as well as phase-sensitive transport responses. In ZrTe 3 , substitution and intercalation with Se, Hf, Cu, or Ni at the 2D vdW interface alter phonon–electron coupling, valence states, and the quasi-1D interface Fermi band, affecting the onset of CDW and SC, manifested as resistance upturns and zero-resistance states. We conclude here that these phenomena originate from dopant-induced variations in the lattice spacing of the quasi-1D Te chains of the 2D vdW interface, and propose an unconventional superconducting mechanism driven by valence fluctuations at the van Hove singularity, arising from quasi-1D lattice vibrations. Short-range in-plane electronic heterostructures at the vdW interface of Cr 2 Si 2 Te 6 result in a narrowed band gap. The sharp increase in in-plane resistance is found to be linked to the emergence and development of out-of-plane ferromagnetism. The insertion of 2D magnetic layers such as Mn, Fe, and Co into the vdW gap of 2H-TaS 2 induces anisotropic magnetism and associated transport responses to magnetic transitions. Overall, 2D vdW interface modification offers control over collective electronic behavior, transport properties, and their interplays, advancing fundamental science and nanoelectronic devices.

2D van der Waals interfaces↗
NASA NTRS1974

Strain gauge ambiguity sensor for segmented mirror active optical system

A system is described to measure alignment between interfacing edges of mirror segments positioned to form a segmented mirror surface. It serves as a gauge having a bending beam with four piezoresistive elements coupled across the interfaces of the edges of adjacent mirror segments. The bending beam has a first position corresponding to alignment of the edges of adjacent mirror segments, and it is bendable from the first position in a direction and to a degree dependent upon the relative misalignment between the edges of adjacent mirror segments to correspondingly vary the resistance of the strain guage. A source of power and an amplifier are connected in circuit with the strain gauge whereby the output of the amplifier varies according to the misalignment of the edges of adjacent mirror segments.

Wyman, C. L.↗
NASA NTRS1987

Numerical solutions of the compressible 3-D boundary-layer equations for aerospace configurations with emphasis on LFC

The application of stability theory in Laminar Flow Control (LFC) research requires that density and velocity profiles be specified throughout the viscous flow field of interest. These profile values must be as numerically accurate as possible and free of any numerically induced oscillations. Guidelines for the present research project are presented: develop an efficient and accurate procedure for solving the 3-D boundary layer equation for aerospace configurations; develop an interface program to couple selected 3-D inviscid programs that span the subsonic to hypersonic Mach number range; and document and release software to the LFC community. The interface program was found to be a dependable approach for developing a user friendly procedure for generating the boundary-layer grid and transforming an inviscid solution from a relatively coarse grid to a sufficiently fine boundary-layer grid. The boundary-layer program was shown to be fourth-order accurate in the direction normal to the wall boundary and second-order accurate in planes parallel to the boundary. The fourth-order accuracy allows accurate calculations with as few as one-fifth the number of grid points required for conventional second-order schemes.

Harris, Julius E.↗
NASA NTRS2007

Rapid Calculations of Three-Dimensional Inlet/Fan Interaction

Two computational fluid dynamics codes have been merged to permit rapid calculations of inlet/fan interaction. Inlets are modeled using the WIND-US Navier-Stokes code. Fans are modeled using a new three-dimensional Euler code called CSTALL that solves the flow through the entire compression system but models blade rows using body forces for turning and loss. The body force model is described and it is shown how unknown terms in the model can be estimated from other Navier-Stokes solutions of the blade rows run separately. The inlet and fan calculations are run simultaneously and are coupled at an interface plane using a third code called SYNCEX that is described briefly. Results are shown for an axisymmetric nacelle at high angle of attack modeled both as an isolated inlet and coupled to a single stage fan. The isolated inlet calculations are unrealistic after the flow separates but the coupled codes can model large regions of separated flow extending from the lower lip of the nacelle into the fan rotor.

Chima, Rodrick V.↗
NASA NTRS2001

Investigation of Conjugate Heat Transfer in Turbine Blades and Vanes

We report on work carried out to develop a 3-D coupled Finite Volume/BEM-based temperature forward/flux back (TFFB) coupling algorithm to solve the conjugate heat transfer (CHT) which arises naturally in analysis of systems exposed to a convective environment. Here, heat conduction within a structure is coupled to heat transfer to the external fluid which is convecting heat into or out of the solid structure. There are two basic approaches to solving coupled fluid structural systems. The first is a direct coupling where the solution of the different fields is solved simultaneously in one large set of equations. The second approach is a loose coupling strategy where each set of field equations is solved to provide boundary conditions for the other. The equations are solved in turn until an iterated convergence criterion is met at the fluid-solid interface. The loose coupling strategy is particularly attractive when coupling auxiliary field equations to computational fluid dynamics codes. We adopt the latter method in which the BEM is used to solve heat conduction inside a structure which is exposed to a convective field which in turn is resolved by solving the NASA Glenn compressible Navier-Stokes finite volume code Glenn-HT. The BEM code features constant and bi-linear discontinuous elements and an ILU-preconditioned GMRES iterative solver for the resulting non-symmetric algebraic set arising in the conduction solution. Interface of flux and temperature is enforced at the solid/fluid interface, and a radial-basis function scheme is used to interpolated information between the CFD and BEM surface grids. Additionally, relaxation is implemented in passing the fluxes from the conduction solution to the fluid solution. Results from a simple test example are reported.

Kassab, A. J.↗
DOE OSTI2022

Coupling TRACE with nodal neutronics code Ants using the Exterior Communications Interface and VTT's multi-physics driver Cerberus

In this paper a recently developed coupling between system code TRACE and nodal neutronics code Ants is presented. The TRAC/RELAP Advanced Computational Engine (TRACE) is a reactor system code developed by U.S. Nuclear Regulatory Commission (NRC). The code has been designed to analyse loss-of-coolant accidents (LOCAs), operational transients and other accident scenarios in light water reactors. Ants is the reduced order nodal neutronics code of the Kraken framework. The diffusion solution method in Ants is based on the Analytic Function Expansion Nodal method (AFEN) and Flux Expansion Nodal Method (FENM). Rectangular, hexagonal and triangular geometries are supported. Both steady state and burnup problems including micro-depletion can be simulated. The coupling is implemented using VTT's multi-physics driver Cerberus and the Exterior Communications Interface (ECI) which is supplied with TRACE and enables the coupling of TRACE without source code modifications. The main focus in the paper is on describing the TRACE-Ants coupling in detail in order to share to other code developers what we have learned from the ECI based coupling process. The coupled code system is briefly tested by simulating a simple transient in a SMR core initiated by control rod movement. The results of the test calculation look reasonable and more complicated test cases will be modelled in the near future.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
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↗
NASA NTRS2009

HART-II Acoustic Predictions using a Coupled CFD/CSD Method

This paper documents results to date from the Rotorcraft Acoustic Characterization and Mitigation activity under the NASA Subsonic Rotary Wing Project. The primary goal of this activity is to develop a NASA rotorcraft impulsive noise prediction capability which uses first principles fluid dynamics and structural dynamics. During this effort, elastic blade motion and co-processing capabilities have been included in a recent version of the computational fluid dynamics code (CFD). The CFD code is loosely coupled to computational structural dynamics (CSD) code using new interface codes. The CFD/CSD coupled solution is then used to compute impulsive noise on a plane under the rotor using the Ffowcs Williams-Hawkings solver. This code system is then applied to a range of cases from the Higher Harmonic Aeroacoustic Rotor Test II (HART-II) experiment. For all cases presented, the full experimental configuration (i.e., rotor and wind tunnel sting mount) are used in the coupled CFD/CSD solutions. Results show good correlation between measured and predicted loading and loading time derivative at the only measured radial station. A contributing factor for a typically seen loading mean-value offset between measured data and predictions data is examined. Impulsive noise predictions on the measured microphone plane under the rotor compare favorably with measured mid-frequency noise for all cases. Flow visualization of the BL and MN cases shows that vortex structures generated in the prediction method are consist with measurements. Future application of the prediction method is discussed.

Boyd, D. Douglas, Jr.↗