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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2020

Mechanism of the Accelerated Water Formation Reaction under Interfacial Confinement

Subnanoscale spaces at the interface between weakly coupled thin films and their metal supports offer exciting opportunities for studying chemical reactions under confinement. Here, we investigated the kinetics of water formation (from hydrogen and chemisorbed oxygen) in the confined space at the interface between bilayer (BL) silica and a Ru(0001) support, compared to the reaction on the bare Ru(0001) surface. Ambient pressure X-ray photoelectron spectroscopy (AP-XPS) experiments were carried out at different temperatures at elevated pressures of H 2 to follow the reaction kinetics. The apparent activation energy at the BL-silica/Ru(0001) interface was found to be 0.38 eV lower than that on bare Ru(0001), consistent with a recent report by Prieto et al. (Angew. Chem., Int. Ed.2018, 57(28), 8749–8753) carried out at lower H 2 pressures using low-energy electron microscopy. Density functional theory calculations revealed that the rate-limiting step in the direct hydrogenation pathway on the Ru(0001) surface is the first hydrogen addition step (*H + *O ↔ *OH). The confinement at the BL-silica/Ru(0001) interface only marginally affects the energy barrier of the first hydrogen addition. Instead, it activates an alternative disproportionation reaction pathway (*H 2 O + *O ↔ 2*OH). On the bare Ru(0001) surface, the disproportionation pathway can only occur at cryogenic temperatures or under high water vapor pressures. However, the presence of the BL-silica increases the desorption barrier for water molecules at the interface. The increased residence time allows trapped water molecules to react with chemisorbed oxygen to produce two *OH per H 2 O with an activation energy 0.25 eV lower than that of the first hydrogen addition step. Finally, this work reveals the origin of the observed accelerated water formation reaction at the BL-silica/Ru(0001) interface in the low-temperature regime (T < 350 K) and points to a route to engineer chemical reaction pathways by leveraging subnanoscale confined spaces at metal–oxide interfaces.

36 MATERIALS SCIENCE↗
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.↗
NASA NTRS1997

Aeroelastic Analysis of Aircraft: Wing and Wing/Fuselage Configurations

A previously developed interface method for coupling aerodynamics and structures is used to evaluate the aeroelastic effects for an advanced transport wing at cruise and under-cruise conditions. The calculated results are compared with wind tunnel test data. The capability of the interface method is also investigated for an MD-90 wing/fuselage configuration. In addition, an aircraft trim analysis is described and applied to wing configurations. The accuracy of turbulence models based on the algebraic eddy viscosity formulation of Cebeci and Smith is studied for airfoil flows at low Mach numbers by using methods based on the solutions of the boundary-layer and Navier-Stokes equations.

Chen, H. H.↗
DOE OSTI2022

Ultrafast charge transfer coupled to quantum proton motion at molecule/metal oxide interface

Understanding how the nuclear quantum effects (NQEs) in the hydrogen bond (H-bond) network influence the photoexcited charge transfer at semiconductor/molecule interface is a challenging problem. By combining two kinds of emerging molecular dynamics methods at the ab initio level, the path integral–based molecular dynamics and time-dependent nonadiabatic molecular dynamics, and choosing CH 3 OH/TiO 2 as a prototypical system to study, we find that the quantum proton motion in the H-bond network is strongly coupled with the ultrafast photoexcited charge dynamics at the interface. The hole trapping ability of the adsorbed methanol molecule is notably enhanced by the NQEs, and thus, it behaves as a hole scavenger on titanium dioxide. The critical role of the H-bond network is confirmed by in situ scanning tunneling microscope measurements with ultraviolet light illumination. It is concluded the quantum proton motion in the H-bond network plays a critical role in influencing the energy conversion efficiency based on photoexcitation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Strain in Metal Halide Perovskite Thin Films - Interfacial Mechanical Coupling

Hybrid organic−inorganic metal halide perovskites (MHPs) are promising semiconductors for photovoltaics and optoelectronics, but their commercial viability is limited by instability, particularly strain induced by mismatch in coefficients of thermal expansion (CTE) between the perovskite film and substrate. Here, we investigate strain development and relaxation in MHP thin films using in situ bending and Grazing Incidence Wide-Angle X-ray Scattering (GIWAXS). We quantify the film− substrate interfacial mechanical coupling and identify interfacial slippage beyond a critical strain (∼0.4%), with Br-2PACz exhibiting comparatively stronger interfacial mechanical coupling among common interface modifiers. Time-resolved GIWAXS reveals reversible macrostrain during thermal cycling driven by CTE mismatch. Leveraging this behavior, we introduce a prestrain process that induces persistent compressive strain after cooling, with partial relaxation over time. These results provide insight into interfacial mechanical coupling and strain dynamics, offering a framework for strain engineering in perovskite devices.

metals↗
DOE OSTI2025

Tuning magneto-optical zero reflection via dual-channel hybrid magnonics

Multichannel coupling in hybrid systems makes an attractive testbed not only because of the distinct advantages entailed by each constituent mode but also because the opportunity to leverage interference among the various excitation pathways. Here, via combined analytical calculation and experiment, we demonstrate that the phase of the magnetization precession at the interface of a coupled yttrium iron garnet (YIG)/permalloy (Py) bilayer is collectively controlled by the microwave photon field torque and the interlayer exchange torque, manifesting a coherent, dual-channel excitation scheme that effectively tunes the magneto-optical spectrum. Furthermore, the different torque contributions vary with frequency, external bias field, and type of interlayer coupling between YIG and Py, which further results in destructive or constructive interferences between the two excitation channels, and hence selective suppression or amplification of the hybridized magnon modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Metal-insulator transition temperature in EuO 1−x films as a function of exposure time in air

Oxygen-deficient Europium monoxide EuO 1-x shows a metal-to-insulator transition near the Curie temperature (T C ). A systematic transport study of EuO 1-x thin films as a function of exposure time in air reveals a gradually decreased T C from 140 K to 70 K as the concentration of the oxygen vacancies decreases, which is accompanied by a drastic increase in the resistance. Here we also find an unusual enhancement of magnetic anisotropy in the transport measurements, which results from the strong spin-orbit coupling at the interface between the film and substrate and possible presence of spin-textures like skyrmions in EuO 1-x .

36 MATERIALS SCIENCE↗
NASA NTRS2011

Flying Unmanned Aircraft: A Pilot's Perspective

The National Aeronautics and Space Administration (NASA) is pioneering various Unmanned Aircraft System (UAS) technologies and procedures which may enable routine access to the National Airspace System (NAS), with an aim for Next Gen NAS. These tools will aid in the development of technologies and integrated capabilities that will enable high value missions for science, security, and defense, and open the door to low-cost, extreme-duration, stratospheric flight. A century of aviation evolution has resulted in accepted standards and best practices in the design of human-machine interfaces, the displays and controls of which serve to optimize safe and efficient flight operations and situational awareness. The current proliferation of non-standard, aircraft-specific flight crew interfaces in UAS, coupled with the inherent limitations of operating UAS without in-situ sensory input and feedback (aural, visual, and vestibular cues), has increased the risk of mishaps associated with the design of the "cockpit." The examples of current non- or sub- standard design features range from "annoying" and "inefficient", to those that are difficult to manipulate or interpret in a timely manner, as well as to those that are "burdensome" and "unsafe." A concerted effort is required to establish best practices and standards for the human-machine interfaces, for the pilot as well as the air traffic controller. In addition, roles, responsibilities, knowledge, and skill sets are subject to redefining the terms, "pilot" and "air traffic controller", with respect to operating UAS, especially in the Next-Gen NAS. The knowledge, skill sets, training, and qualification standards for UAS operations must be established, and reflect the aircraft-specific human-machine interfaces and control methods. NASA s recent experiences flying its MQ-9 Ikhana in the NAS for extended duration, has enabled both NASA and the FAA to realize the full potential for UAS, as well as understand the implications of current limitations. Ikhana is a Predator-B/Reaper UAS, built by General Atomics, Aeronautical Systems, Inc., and modified for research. Since 2007, the aircraft has been flown seasonally with a wing-mounted pod containing an infrared scanner, utilized to provide real-time wildfire geo-location data to various fire-fighting agencies in the western U.S. The multi-agency effort included an extensive process to obtain flight clearance from the FAA to operate under special provisions, given that UAS in general do not fully comply with current airspace regulations (e.g. sense-and-avoid requirements).

Pestana, Mark E.↗
NASA NTRS2006

The Solar Wind and Geomagnetic Activity as a Function of Time Relative to Corotating Interaction Regions

Corotating interaction regions during the declining phase of the solar cycle are the cause of recurrent geomagnetic storms and are responsible for the generation of high fluxes of relativistic electrons. These regions are produced by the collision of a high-speed stream of solar wind with a slow-speed stream. The interface between the two streams is easily identified with plasma and field data from a solar wind monitor upstream of the Earth. The properties of the solar wind and interplanetary magnetic field are systematic functions of time relative to the stream interface. Consequently the coupling of the solar wind to the Earth's magnetosphere produces a predictable sequence of events. Because the streams persist for many solar rotations it should be possible to use terrestrial observations of past magnetic activity to predict future activity. Also the high-speed streams are produced by large unipolar magnetic regions on the Sun so that empirical models can be used to predict the velocity profile of a stream expected at the Earth. In either case knowledge of the statistical properties of the solar wind and geomagnetic activity as a function of time relative to a stream interface provides the basis for medium term forecasting of geomagnetic activity. In this report we use lists of stream interfaces identified in solar wind data during the years 1995 and 2004 to develop probability distribution functions for a variety of different variables as a function of time relative to the interface. The results are presented as temporal profiles of the quartiles of the cumulative probability distributions of these variables. We demonstrate that the storms produced by these interaction regions are generally very weak. Despite this the fluxes of relativistic electrons produced during those storms are the highest seen in the solar cycle. We attribute this to the specific sequence of events produced by the organization of the solar wind relative to the stream interfaces. We also show that there are large quantitative differences in various parameters between the two cycles.

McPherron, Robert L.↗
NASA NTRS1978

CELFE: Coupled Eulerian-Lagrangian Finite Element program for high velocity impact. Part 1: Theory and formulation

A 3-D finite element program capable of simulating the dynamic behavior in the vicinity of the impact point, together with predicting the dynamic response in the remaining part of the structural component subjected to high velocity impact is discussed. The finite algorithm is formulated in a general moving coordinate system. In the vicinity of the impact point contained by a moving failure front, the relative velocity of the coordinate system will approach the material particle velocity. The dynamic behavior inside the region is described by Eulerian formulation based on a hydroelasto-viscoplastic model. The failure front which can be regarded as the boundary of the impact zone is described by a transition layer. The layer changes the representation from the Eulerian mode to the Lagrangian mode outside the failure front by varying the relative velocity of the coordinate system to zero. The dynamic response in the remaining part of the structure described by the Lagrangian formulation is treated using advanced structural analysis. An interfacing algorithm for coupling CELFE with NASTRAN is constructed to provide computational capabilities for large structures.

Lee, C. H.↗
DOE OSTI2022

kynema-fmb [SWR-23-07]

Kynema-FMB (FKA: Kynema) is an open-source performance portable flexible multibody (FMB) dynamics solver designed for time-domain simulations. While originally tailored for wind turbine structural dynamics, the formulation and implementation are those of a general flexible-multidbody dynamics solver that can readily be applied to a wide range of systems. Kynema was designed with a narrow focus, namely to provide a lightweight, fast, accurate FMD solver for coupling to computational-fluid-dynamics (CFD) codes, especially the CFD codes in the Kynema suite, for fluid-structure-interaction (FSI) simulations. Kynema-FMB is equipped to model systems that can be represented as a collection of beams and rigid bodies that are connected through constraints. Degrees of freedom are defined in the inertial/global frame of reference and include displacements and rotations (formally as rotation matrices, but stored as quaternions). The underlying formulation is built on a Lie-group time integrator designed for index-3 differential-algebraic equations, which is second-order accurate in time (Bruls et al., 2012). Beam models are based on geometrically exact beam theory and are discretized as high-order spectral finite elements similar to those in BeamDyn (Wang et al., 2017). The governing equations for a FMD system like a wind turbine constitute a highly nonlinear system of constrained partial-differential equations. Kynema-FMB uses analytical Jacobians in the nonlinear-system solves in each time step. Linear systems use sparse storage and several third-party sparse-linear-system solvers are enabled. Ill conditioning of linear systems is mitigated with preconditioning described in Bottasso et al, 2008. Kynema-FMB is integrated with a simple open-source controller (ROSCO). There is an application programming interface (API) for coupling to geometry-resolved CFD (like that in Sharma et al., 2023) and actuator-force CFD (like that in Kuhn et al., 2025). In the latter, for actuator-line models, Kynema-FMB includes an internal blade-element solver that depends on user-provided lookup tables for coefficients of lift and drag, i.e., aerodynamic polars. Kynema-FMB is written in C++ and leverages Kokkos and Kokkos-Kernels (KokkosEcosystem) as its performance portability layer enabling simulations on both CPU and GPU systems. The repository is equipped with extensive automated testing at the unit and regression/system levels. The following describes the high-level development objectives conceived for Kynema: *Kynema will follow modern software development best practices, including test-driven development (TDD), version control, hierarchical automated testing, and continuous integration (CI) for a robust development environment. *The core data structures are memory efficient and enable vectorization and parallelization at multiple levels. *Data structures are data-oriented to exploit methods for accelerated computing including high utilization of chip resources (e.g., single instruction multiple data (SIMD) instruction sets) and parallelization using GP-GPUs. *The computational algorithms incorporate robust open-source libraries for mathematical operations, resource allocation, and data management. *The API design considers multiple stakeholder needs and ensure integration with existing and future ecosystems for data science, machine learning, and AI. *Kynema-FMB is written in modern C++ and leverages Kokkos as its performance-portability library with inspiration from the kynema stack.

Sprague, MichaelA.↗
DOE OSTI2022

Overview of the MOSAiC expedition: Snow and sea ice

Year-round observations of the physical snow and ice properties and processes that govern the ice pack evolution and its interaction with the atmosphere and the ocean were conducted during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition of the research vessel Polarstern in the Arctic Ocean from October 2019 to September 2020. This work was embedded into the interdisciplinary design of the 5 MOSAiC teams, studying the atmosphere, the sea ice, the ocean, the ecosystem, and biogeochemical processes. The overall aim of the snow and sea ice observations during MOSAiC was to characterize the physical properties of the snow and ice cover comprehensively in the central Arctic over an entire annual cycle. This objective was achieved by detailed observations of physical properties and of energy and mass balance of snow and ice. By studying snow and sea ice dynamics over nested spatial scales from centimeters to tens of kilometers, the variability across scales can be considered. On-ice observations of in situ and remote sensing properties of the different surface types over all seasons will help to improve numerical process and climate models and to establish and validate novel satellite remote sensing methods; the linkages to accompanying airborne measurements, satellite observations, and results of numerical models are discussed. We found large spatial variabilities of snow metamorphism and thermal regimes impacting sea ice growth. We conclude that the highly variable snow cover needs to be considered in more detail (in observations, remote sensing, and models) to better understand snow-related feedback processes. The ice pack revealed rapid transformations and motions along the drift in all seasons. The number of coupled ice–ocean interface processes observed in detail are expected to guide upcoming research with respect to the changing Arctic sea ice.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1992

High-Repeatability, Robot Friendly, ORU Interface

A robot-friendly coupling device for an Orbital Replacement Unit (ORU). The invention will provide a coupling that is detached and attached remotely by a robot. The design of the coupling must allow for slight misalignments, over torque protection, and precision placement. This is accomplished by using of a triangular interface having three components. A base plate assembly is located on an attachment surface, such as a satellite. The base plate assembly has a cup member, a slotted member, and a post member. The ORU that the robot attaches to the base plate assembly has an ORU plate assembly with two cone members and a post member which mate to the base plate assembly. As the two plates approach one another, one cone member of the ORU plate assembly only has to be placed accurately enough to fall into the cup member of the base plate assembly. The cup forces alignment until a second cone falls into a slotted member which provides final alignment. A single bolt is used to attach the two plates. Two deflecting plates are attached to the backs of the plates. When pressure is applied to the center of the deflecting plates, the force is distributed preventing the ORU & base plates from deflecting. This accounts for precision in the placement of the article.

Voellmer, George M.↗
DOE OSTI2022

Super‐Hydrophilic Microporous Ni(OH) x /Ni 3 S 2 Heterostructure Electrocatalyst for Large‐Current‐Density Hydrogen Evolution

Abstract Exploiting active and stable non‐precious metal electrocatalysts for alkaline hydrogen evolution reaction (HER) at large current density plays a key role in realizing large‐scale industrial hydrogen generation. Herein, a self‐supported microporous Ni(OH) x /Ni 3 S 2 heterostructure electrocatalyst on nickel foam (Ni(OH) x /Ni 3 S 2 /NF) that possesses super‐hydrophilic property through an electrochemical process is rationally designed and fabricated. Benefiting from the super‐hydrophilic property, microporous feature, and self‐supported structure, the electrocatalyst exhibits an exceptional HER performance at large current density in 1.0 M KOH, only requiring low overpotential of 126, 193, and 238 mV to reach a current density of 100, 500, and 1000 mA cm −2 , respectively, and displaying a long‐term durability up to 1000 h, which is among the state‐of‐the‐art non‐precious metal electrocatalysts. Combining hard X‐rays absorption spectroscopy and first‐principles calculation, it also reveals that the strong electronic coupling at the interface of the heterostructure facilitates the dissociation of H 2 O molecular, accelerating the HER kinetics in alkaline electrolyte. This work sheds a light on developing advanced non‐precious metal electrocatalysts for industrial hydrogen production by means of constructing a super‐hydrophilic microporous heterostructure.

Chemistry↗