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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 181 records · Page 10

Continuous Trailing-Edge Flaps for Primary Flight Control of a Helicopter Main Rotor

The use of continuous trailing-edge flaps (CTEFs) for primary flight control of a helicopter main rotor is studied. A practical, optimized bimorph design with Macro-Fiber Composite actuators is developed for CTEF control, and a coupled structures and computational fluid dynamics methodology is used to study the fundamental behavior of an airfoil with CTEFs. These results are used within a comprehensive rotorcraft analysis model to study the control authority requirements of the CTEFs when utilized for primary flight control of a utility class helicopter. A study of the effect of blade root pitch index (RPI) on CTEF control authority is conducted, and the impact of structural and aerodynamic model complexity on the comprehensive analysis results is presented. The results show that primary flight control using CTEFs is promising; however, a more viable option may include the control of blade RPI, as well.

Thornburgh, Robert P.↗

Parametric Modeling and Mission Performance Analysis of a True Parallel Hybrid Turboprop Aircraft for Freighter Operations

Hybrid-electric propulsion systems for short-haul, cargo carrying aircraft have emerged as promising solutions for an environmentally sustainable future for commercial aviation. The novel propulsion architecture presents significant complexity and requires the development of new methodologies to account for the unique coupling and integration between critical design variables. This paper presents a comprehensive study on the modeling, performance assessment, and design space exploration of a C-130H freighter aircraft retrofitted with a parallel hybrid electric powertrain. Details on the development of parametric models for both the baseline and true parallel hybrid (TPH) aircraft and the integrated electrified aircraft propulsion (EAP) system sizing approach are presented along with detailed performance analyses of payload/range capabilities for short-haul cargo missions. For 2030, 2040, and 2050 EAP technology levels, the TPH C-130H configuration with a ~2.12 MW class EAP system has a range capability of 485-1,028 nautical miles and block fuel savings of 27-44%.

efficiency↗

Influence of Coating Method on the Performance of Roll-to-Roll Coated PEM Fuel Cell Catalyst Layers

As production of fuel cell vehicles and power systems increases there is a need to understand the process science of fuel cell manufacturing. Industrial production of polymer electrolyte membrane fuel cell (PEMFC) electrodes will rely on continuous roll-to-roll (R2R) coating methods to meet the rates needed for mass production. There are a variety of coating methods that could be used to coat catalyst layers. The different physics of each method may result in different morphologies and performance. Here we present the results of a study comparing fuel cell catalyst layers coated using two R2R coating methods: slot-die and gravure. These two methods were selected because the physics of applying the liquid to the substrate is very different between the two cases. Pt/C catalysts layers were coated directly onto carbon-fiber gas diffusion media to create gas diffusion electrodes (GDEs), without the use of a decal transfer process. These GDEs were assembled into membrane electrode assemblies (MEAs) by hot pressing to Nafion membranes. In situ performance and other electrochemical diagnostics were used to determine the influence of coating method on catalyst layer electrochemical properties. Electron microscopy was utilized to understand the influence of coating method on electrode morphology and its influence on electrochemical properties. We also explored the influence of solvent ratio to understand the potential coupling between ink formulation and coating methodology.

DIRECT ENERGY CONVERSION,MATERIALS SCIENCE↗

"Hybrid fracture/matrix modeling for well completion options evaluation"

Orientation and completion for well pairs that have been subjected to multi-zonal stimulation play a critical role in the long-term performance of an Enhanced Geothermal Reservoir. Here we present the development of a methodology to rapidly and efficiently numerically simulate mixed fracture-matrix flow systems for evaluation of well design and completion options. The methodology is based on a loose coupling framework, allowing the fracture and matrix systems to be meshed separately. The fracture system includes the integration of fracture growth and aperture data from well stimulation simulations of stochastically generated fracture networks. Automatic mesh refinement is used in the matrix simulation to resolve heat transfer near the fracture network. This simulation framework is used to efficiently determine optimal production and injection well placement using adaptive sampling.

15 GEOTHERMAL ENERGY↗

Estimation of stress and stress-induced permeability change in a geological nuclear waste repository in a thermo-hydrologically coupled simulation

Geologic disposal is a promising solution for a safe permanent isolation of accumulated high-level nuclear waste from nuclear powerplants. The behavior of host rock is highly coupled thermally, hydromechanically, and chemically. Numerical simulations of such coupled phenomena for the extremely long term (>100,000 years) and large length scale (>1 km) of geologic disposal remain to be computationally challenging. In this study, a methodology has been developed to approximate stress and stress-induced permeability change in host rock using only thermo-hydrological (TH) variables. A coupled thermo-hydromechanical (THM) simulation is carried out using TOUGH-FLAC simulator to model THM behaviors of a generic nuclear waste repository, in order to evaluate the performance of the developed methodology, which is implemented in a coupled TH simulation. Results show that stress and permeability change estimated by the developed methodology in the TH-coupled simulation match those calculated in the THM-coupled simulation over the simulated timeframe of over 10,000 years. Details about errors in stress and permeability estimates accrued by the developed methodology are discussed here. The developed methodology will help incorporate stress-induced permeability change into existing TH simulators for the long-term radionuclide transport in geologic disposal.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Methods for heat transfer and temperature field analysis of the insulated diesel, phase 3

Work during Phase 3 of a program aimed at developing a comprehensive heat transfer and thermal analysis methodology for design analysis of insulated diesel engines is described. The overall program addresses all the key heat transfer issues: (1) spatially and time-resolved convective and radiative in-cylinder heat transfer, (2) steady-state conduction in the overall structure, and (3) cyclical and load/speed temperature transients in the engine structure. These are all accounted for in a coupled way together with cycle thermodynamics. This methodology was developed during Phases 1 and 2. During Phase 3, an experimental program was carried out to obtain data on heat transfer under cooled and insulated engine conditions and also to generate a database to validate the developed methodology. A single cylinder Cummins diesel engine was instrumented for instantaneous total heat flux and heat radiation measurements. Data were acquired over a wide range of operating conditions in two engine configurations. One was a cooled baseline. The other included ceramic coated components (0.050 inches plasma sprayed zirconia)-piston, head and valves. The experiments showed that the insulated engine has a smaller heat flux than the cooled one. The model predictions were found to be in very good agreement with the data.

Morel, Thomas↗

An investigation of angular stiffness and damping coefficients of an axial spline coupling in high-speed rotating machinery

This paper provided an opportunity to quantify the angular stiffness and equivalent viscous damping coefficients of an axial spline coupling used in high-speed turbomachinery. A unique test methodology and data reduction procedures were developed. The bending moments and angular deflections transmitted across an axial spline coupling were measured while a nonrotating shaft was excited by an external shaker. A rotor dynamics computer program was used to simulate the test conditions and to correlate the angular stiffness and damping coefficients. In addition, sensitivity analyses were performed to show that the accuracy of the dynamic coefficients do not rely on the accuracy of the data reduction procedures.

Ku, C.-P. Roger↗

Ab initio polaritonic potential-energy surfaces for excited-state nanophotonics and polaritonic chemistry

Advances in nanophotonics, quantum optics, and low-dimensional materials have enabled precise control of light–matter interactions down to the nanoscale. Combining concepts from each of these fields, there is now an opportunity to create and manipulate photonic matter via strong coupling of molecules to the electromagnetic field. Toward this goal, here we demonstrate a first principles framework to calculate polaritonic excited-state potential-energy surfaces, transition dipole moments, and transition densities for strongly coupled light–matter systems. In particular, we demonstrate the applicability of our methodology by calculating the polaritonic excited-state manifold of a formaldehyde molecule strongly coupled to an optical cavity. This proof-of-concept calculation shows how strong coupling can be exploited to alter photochemical reaction pathways by influencing avoided crossings with tuning of the cavity frequency and coupling strength. Therefore, by introducing an ab initio method to calculate excited-state potential-energy surfaces, our work opens a new avenue for the field of polaritonic chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural dynamics payload loads estimates

Present analytical techniques by which design loads are predicted are very costly and time consuming. Chapter I presents the standard techniques used to analyze payload/booster systems. They are full scale methods in the sense that they all require the solution of the coupled equations of motion of the payload/booster system. Chapter II identifies several short cut methodologies. These already existing techniques do not require the solution of the coupled system equations. The potentials and shortcomings of each of these methods are discussed. Chapter III covers the favored methods accompanied by recommendations for further development, refinement, and demonstrations. An outline of a new approach is also included.

Engels, R. C.↗

In Situ Raman Mapping of Si Island Electrodes and Stress Modeling as a Function of Lithiation and Size

Si is known for cracking and delamination during electrochemical cycling of a battery due to the large volume change associated with Li insertion and extraction. However, it has been found experimentally that patterned Si island electrodes that are 200 nm thick and less than 7 μm wide can deform in a purely elastic manner. Inspired by this, we performed in situ Raman stress characterization of model poly-crystalline Si island electrodes using an electrochemical cell coupled with an immersion objective lens and designed for a short working distance. A 5 μm wide Si island electrode showed a parabolic stress profile during lithiation, while for a 15 μm Si island electrode, a stress plateau in the center of the electrode was observed. A continuum model with coupled electro-chemo-mechanical (ECM) physics was established to understand the stress measurement. A qualitative agreement was reached between modeling and experimental data, and the critical size effect could be explained by the Li diffusive flux as governed by competition between the Li concentration and hydrostatic stress gradients. Below the critical size, the stress gradient drives Li toward the edges, where the electrode volume is free to expand, while above the critical size, the stress plateau inhibits Li diffusion to the edge and forces destructive stress relief by cracking. Furthermore, this work represents a promising methodology for in situ characterization of ECM coupling in battery electrodes, with suggestions provided for further improvement.

25 ENERGY STORAGE↗

Application of an Integrated Methodology for Propulsion and Airframe Control Design to a STOVL Aircraft

An advanced methodology for integrated flight propulsion control (IFPC) design for future aircraft, which will use propulsion system generated forces and moments for enhanced maneuver capabilities, is briefly described. This methodology has the potential to address in a systematic manner the coupling between the airframe and the propulsion subsystems typical of such enhanced maneuverability aircraft. Application of the methodology to a short take-off vertical landing (STOVL) aircraft in the landing approach to hover transition flight phase is presented with brief description of the various steps in the IFPC design methodology. The details of the individual steps have been described in previous publications and the objective of this paper is to focus on how the components of the control system designed at each step integrate into the overall IFPC system. The full nonlinear IFPC system was evaluated extensively in nonreal-time simulations as well as piloted simulations. Results from the nonreal-time evaluations are presented in this paper. Lessons learned from this application study are summarized in terms of areas of potential improvements in the STOVL IFPC design as well as identification of technology development areas to enhance the applicability of the proposed design methodology.

Garg, Sanjay↗

Development of an Additive Manufactured Cryogenic TVS Augmented Injector

Cryogenic fluid transfer is critical in ground and space systems. Transfer typically requires venting a receiver vessel during the chill and fill process to maintain a pressure favorable to fluid flow. Venting in space is problematic due to low-gravity where fluid position is indeterminate; possibly allowing fluid to flow out the vent. To control receiver tank venting the vented chill/no-vent fill methodology is attractive. An additively manufactured Injector coupled with a Thermodynamic Venting System (TVS) augmentation can enable the vented chill/no-vent fill approach with simplified operations. The TVS augmented injector includes an internal heat exchanger, fluid injector spray head, and external surface condensation heat exchange; combined with integrated flow paths in one part. Operations using the injector allow the tank vent to be closed very early in the transfer and not reopened. The TVS circuit eliminates the potential for stalled fill by maintaining cooling flow on the injector and condenser elements, reducing tank pressure. The injector can also be employed for long-term cryo fluid storage as a means of controlling tank pressure if integrated with a recirculation pump. A cryo-cooler can be used in place of/or augmenting the TVS flow circuit for a zero loss pressure control system. The Injector was developed using the principles of design for additive manufacture and printed as one part, resulting in part count reduction, improved reproducibility, shorter lead times, and reduced cost. The TVS augmented injector is compact and highly adaptable simplifying its integration. A key benefit is that this methodology enables simplified operations in reaching 100% fill conditions.

Omar Mireles↗

A data-driven framework for predicting machining stability: employing simulated data, operational modal analysis, and enhanced transfer learning

Chatter, a self-excited vibration phenomenon, presents a significant challenge in machining operations, particularly in high-speed milling, where it can degrade tool life, reduce material removal efficiency, and compromise workpiece quality. Addressing this challenge requires a reliable predictive model that can accommodate the complex dynamics of various machining scenarios. This study introduces a novel, data-driven approach to predicting machining stability, leveraging over 140,000 simulated datasets and employing advanced techniques such as operational modal analysis (OMA), enhanced transfer learning (TL), and receptance coupling substructure analysis (RCSA). By integrating these methodologies, the framework effectively classifies and predicts chatter across diverse operational modes, achieving robust and accurate outcomes. Our model utilizes a Random Forest (RF) classifier trained with the comprehensive dataset, which demonstrates substantial improvements in both predictive accuracy and robustness. Specifically, the RF model achieved an accuracy rate of 85%, an area under the curve (AUC) of 0.90, and an F1 score of 0.88, underscoring its capability to adapt to varying machining configurations. These results highlight the framework’s potential to enhance operational efficiency and machining quality by providing reliable chatter predictions across a broad range of machining parameters. In conclusion, this research thus offers a significant advancement in predictive maintenance for machining processes, enabling more stable and efficient manufacturing operations.

42 ENGINEERING↗

Coupled cluster theory on modern heterogeneous supercomputers

This study examines the computational challenges in elucidating intricate chemical systems, particularly through ab-initio methodologies. This work highlights the Divide-Expand-Consolidate (DEC) approach for coupled cluster (CC) theory—a linear-scaling, massively parallel framework—as a viable solution. Detailed scrutiny of the DEC framework reveals its extensive applicability for large chemical systems, yet it also acknowledges inherent limitations. To mitigate these constraints, the cluster perturbation theory is presented as an effective remedy. Attention is then directed towards the CPS (D-3) model, explicitly derived from a CC singles parent and a doubles auxiliary excitation space, for computing excitation energies. The reviewed new algorithms for the CPS (D-3) method efficiently capitalize on multiple nodes and graphical processing units, expediting heavy tensor contractions. As a result, CPS (D-3) emerges as a scalable, rapid, and precise solution for computing molecular properties in large molecular systems, marking it an efficient contender to conventional CC models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Controlling spin-orbit coupling strength of bulk transition metal dichalcogenide semiconductors

Transition metal dichalcogenide (TMD) semiconductors are attracting much attention in research regarding device physics based on their unique properties that can be utilized in spintronics and valleytronics. Although current studies concentrate on the monolayer form due to the explicitly broken inversion symmetry and the direct band gap, bulk materials also hold the capability of carrying spin and valley current. In this study, we report the methodology to continuously control the spin-orbit coupling (SOC) strength of bulk TMDs Mo 1-x W x Se 2 by changing the atomic ratio between Mo and W. The results show the size of band splitting at the K valley the measure of the coupling strength is linearly proportional to the atomic ratio of Mo and W. Here, our results thus demonstrate how to precisely tune the SOC coupling strength, and the collected information of which can serve as a reference for future applications of bulk TMDs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A new unified architecture of thermal/structural dynamic algorithms - Applications to coupled thermoelasticity

A new unified architecture of robust thermal-structural dynamic algorithms is presented with emphasis on applications to coupled thermoelasticity. The proposed formulations are based on Lax-Wendroff/Taylor-Galerkin explicit time integration methodology. The applicability of the proposed unified architecture to interdisciplinary problems relevant to coupled dynamic thermoelasticity is demonstrated. The basic concepts and characteristic features of the unified formulations are discussed.

Tamma, Kumar K.↗

Infinite-layer nickelates as Ni-e $g$ Hund’s metals

The recent and exciting discovery of superconductivity in the hole-doped infinite-layer nickelate Nd 1-$δ$ Sr $δ$ NiO 2 draws strong attention to correlated quantum materials. From a theoretical viewpoint, this class of unconventional superconducting materials provides an opportunity to unveil a physics hidden in correlated quantum materials. Here we study the temperature and doping dependence of the local spectrum as well as the charge, spin and orbital susceptibilities from first principles. By using ab initio LQSGW+DMFT methodology, we show that onsite Hund’s coupling in Ni-$d$ orbitals gives rise to multiple signatures of Hund’s metallic phase in Ni-e $g$ orbitals. The proposed picture of the nickelates as an e $g$ (two orbital) Hund’s metal differs from the picture of the Fe-based superconductors as a five orbital Hund’s metal as well as the picture of the cuprates as doped charge transfer insulators. Our finding uncovers a new class of the Hund’s metals and has potential implications for the broad range of correlated two orbital systems away from half-filling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ab Initio Many Body Quantum Embedding and Local Correlation in Crystalline Materials using Interpolative Separable Density Fitting

We present an efficient implementation of ab initio many-body quantum embedding and local correlation methods for infinite periodic systems through translational symmetry adapted interpolative separable density fitting, an approach which reduces the scaling of the calculations to only linear with the number of k-points. Employing this methodology, we compute correlated ground-state coupled cluster energies within density matrix embedding and local natural orbital correlation frameworks for both weakly and strongly correlated solids, using up to 1000 k-points. By extrapolating the local correlation domains and k-point sampling we further obtain estimates of the full coupled cluster with singles, doubles, and perturbative triples ground-state energies in the thermodynamic limit.

Chemical Physics (physics.chem-ph)↗