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At least 1,567 records · Page 87

Chemical substitution induced half-metallicity in CrMnSb (1– x ) P x

Half-metallic Heusler alloys have been intensively studied in recent years due to their potential applications in spin-based devices, e.g., in magnetic tunnel junctions. Yet, their properties may be very sensitive to the choice of the substrates, i.e., to the epitaxial strain and interface properties. Here, we report the results of our computational work on the half-Heusler compound CrMnSb (1–x) P x . In particular, we demonstrate that the parent compound CrMnSb is close to a half-metallic material at the optimized lattice parameter, with the onset of the half-metallic bandgap a few meV above the Fermi energy. Moreover, although it undergoes a half-metallic transition under a uniform compression of ~1.5%, such a transition is absent under epitaxial strain. At the same time, we show that a half-metallic transition could be induced by a chemical substitution of Sb with P, which results in a volume reduction of the unit cell. In particular, 50% substitution of Sb with P leads to a robust half-metallicity in CrMnSb (1–x) P x , with 100% spin polarization being retained at a large range of epitaxial strain. Furthermore, our results indicate that CrMnSb0.5P0.5 could be grown on different types of substrates, e.g., GaAs, without its electronic properties being detrimentally affected by biaxial strain. In addition, CrMnSb 0.5 P 0.5 exhibits a fully compensated ferrimagnetic alignment, which could be potentially useful in applications where stray magnetic fields are undesirable.

36 MATERIALS SCIENCE↗

A Lagrange multiplier based divide and conquer finite element algorithm

A novel domain decomposition method based on a hybrid variational principle is presented. Prior to any computation, a given finite element mesh is torn into a set of totally disconnected submeshes. First, an incomplete solution is computed in each subdomain. Next, the compatibility of the displacement field at the interface nodes is enforced via discrete, polynomial and/or piecewise polynomial Lagrange multipliers. In the static case, each floating subdomain induces a local singularity that is resolved very efficiently. The interface problem associated with this domain decomposition method is, in general, indefinite and of variable size. A dedicated conjugate projected gradient algorithm is developed for solving the latter problem when it is not feasible to explicitly assemble the interface operator. When implemented on local memory multiprocessors, the proposed methodology requires less interprocessor communication than the classical method of substructuring. It is also suitable for parallel/vector computers with shared memory and compares favorably with factorization based parallel direct methods.

Farhat, C.↗

The 4-D descent trajectory generation techniques under realistic operating conditions

NASA-Langley has been conducting and sponsoring research in airborne energy management for a number of years. During the course of this research, two fundamental techniques for the generation of 4D (fixed time) descent trajectories have emerged as viable candidates for advanced flight management systems. The first technique utilizes speed schedules of constant Mach number transitioning to constant calibrated airspeed chosen empirically to produce minimum fuel usage. The second technique computes cost optimized speed schedules of variable airspeed developed through application of optimal control theory. Both techniques have been found to produce reasonable and flyable descent trajectories. The formulation of the algorithms for each technique is evaluated and their suitability for operations in realistic conditions is discussed. Operational factors considered include: airplace speed, thrust, and altitude rate constaints; wind, temperature, and pressure variations; Air Traffic Control altitude, speed, and time constaints; and pilot interface and guidance considerations. Time flexibility, fuel usage, and airborne computational requirements were the primary performance measures.

Williams, David H.↗

Modeling of particle transport, neutrals and radiation in magnetically-confined plasmas with Aurora

In this work, we present Aurora, an open-source package for particle transport, neutrals and radiation modeling in magnetic confinement fusion plasmas. Aurora's modern multi-language interface enables simulations of 1.5D impurity transport within high-performance computing frameworks, particularly for the inference of particle transport coefficients. A user-friendly Python library allows simple interaction with atomic rates from the Atomic Data and Atomic Structure database as well as other sources. This enables a range of radiation predictions, both for power balance and spectroscopic analysis. We discuss here the superstaging approximation for complex ions, as a way to group charge states and reduce computational cost, demonstrating its wide applicability within the Aurora forward model and beyond. Aurora also facilitates neutral particle analysis, both from experimental spectroscopic data and other simulation codes. Leveraging Aurora's capabilities to interface SOLPS-ITER results, we demonstrate that charge exchange is unlikely to affect the total radiated power from the ITER core during high performance operation. Finally, we describe the ImpRad module in the one modeling framework for integrated task framework, developed to enable experimental analysis and transport inferences on multiple devices using Aurora.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Mobile Computing for Aerospace Applications

The use of commercial computer technology in specific aerospace mission applications can reduce the cost and project cycle time required for the development of special-purpose computer systems. Additionally, the pace of technological innovation in the commercial market has made new computer capabilities available for demonstrations and flight tests. Three areas of research and development being explored by the Portable Computer Technology Project at NASA Ames Research Center are the application of commercial client/server network computing solutions to crew support and payload operations, the analysis of requirements for portable computing devices, and testing of wireless data communication links as extensions to the wired network. This paper will present computer architectural solutions to portable workstation design including the use of standard interfaces, advanced flat-panel displays and network configurations incorporating both wired and wireless transmission media. It will describe the design tradeoffs used in selecting high-performance processors and memories, interfaces for communication and peripheral control, and high resolution displays. The packaging issues for safe and reliable operation aboard spacecraft and aircraft are presented. The current status of wireless data links for portable computers is discussed from a system design perspective. An end-to-end data flow model for payload science operations from the experiment flight rack to the principal investigator is analyzed using capabilities provided by the new generation of computer products. A future flight experiment on-board the Russian MIR space station will be described in detail including system configuration and function, the characteristics of the spacecraft operating environment, the flight qualification measures needed for safety review, and the specifications of the computing devices to be used in the experiment. The software architecture chosen shall be presented. An analysis of the performance characteristics of wireless data links in the spacecraft environment will be discussed. Network performance and operation will be modeled and preliminary test results presented. A crew support application will be demonstrated in conjunction with the network metrics experiment.

Alena, Richard↗

Procedure Parsing: A Method for Parsing Handwritten Documents into Computer-Based Procedures

The nuclear industry is heavily procedure driven, where almost everything has a step-by-step instruction that is expected to be followed in detail. Historically, these procedures were printed on paper copies. Recently, the industry transitioned towards electronic copies (i.e., PDFs on tablets). One major drive for this transition is the introduction of human error and loss of situation awareness when using paper copies. However, electronic copies of documents inherently have the same error traps as their paper cousins. Therefore, there is an increased interest in a way to utilize the information in the step-by-step guidance, but to present it in a dynamic manner that guides the user and adapts to any encountered conditions. Researchers at Idaho National Laboratory propose a flexible, automated method based on document parsing and augmented by natural language processing (NLP) techniques, to address these shortcomings and capitalize on these recent advancements in machine learning. The proposed method provides a cost-effective solution for computer-assisted procedure parsing of hand-written control room procedures, originally authored in Word or PDF formats, into instructions that can be displayed as computer-based procedures (CBP) in a modern graphical user interface. The researchers devised, implemented and demonstrated the Operating Procedure Extender for Novel Systems (OPENS) method in 2020. The key to OPENS is to map the original procedure text into a context-free grammar, tying content to equipment, locations, and other steps, actions, etc. This formal grammar is then used to isolate and define keywords and actions verbs, such as “measure” or “evaluate” and tie them to specific equipment referenced within that step or located in other steps, substeps, actions, subactions and tables throughout the procedure. OPENS generates an abstract syntax tree from the document which it uses to store a copy of this information in the open-standard, machine-readable and human-readable file formats XML and JSON. The XML is useful to preserve the relational aspects of the procedure for referencing tables and branching information so the user can be directed to the next appropriate active step based on the values entered for that step and previous steps. The JSON is useful for storing and exchanging data objects used to track responses to previous steps and state changes in simulated environments. In future iterations, these formats can also be used for storing more detailed information about input during plant operation or simulation. The techniques the researcher developed could further be improved by integration of recent advancements in machine learning. NLP methods could standardize documents, correct for grammatical error, and provide automated semantic validation. The researcher expects that self-supervised techniques applied to collections of natural language instructions could strengthen the model with broader context. All these methods together give us a practical way to automatically extract protocols from documents and user interactions, empowering researchers, procedure writers and nuclear operators while moving the industry forward.

99 GENERAL AND MISCELLANEOUS↗

Interfaces in all solid state Li-metal batteries: A review on instabilities, stabilization strategies, and scalability

With technological advancements in electrochemical energy storage systems increasing at a spectacular rate, batteries equipped with a lithium anode hold the key towards unlocking high energy densities. While lithium-ion batteries with layered anodes (e.g. graphite) and liquid organic electrolytes have been ubiquitous in portable electronics, electric vehicles, and grid applications, all solid-state batteries that use the combination of a lithium anode and a solid-state electrolyte (SSE) will further advance the present technology. The underlying challenge that limits the successful development of all solid-state batteries (ASSBs) is dictated largely by the highly reactive interfaces at the anode/SSE and the cathode/SSE interface. In this comprehensive review, we present an overview of the following: (i) characterization of the electrode/SSE interface via multimodal characterization, which include X-ray-, electron-, neutron-, optical-, and computation-based methods: (ii) parasitic reactions that occur from chemical, mechanical or electrochemical instabilities and interfacial engineering strategies for improving the stability of these interfaces classified by the class of inorganic SSEs (sulfide-, NASICON-, and garnet-type SSEs); (iii) laboratory-to-industry scale processing perspectives of SSEs; (iv) scalability and manufacturing aspects of current interfacial strategies; and (v) the prospects of all ASSBs within the context of extreme fast charging capability. Here, this review seeks to highlight key efforts in the field of ASSBs, by focusing particularly on stabilizing the electrode/SSE interfaces, which will help to bridge fundamental studies to technological relevance.

25 ENERGY STORAGE↗

Repair and Utilization of the Kratos XSAM 800 X-Ray Photoelectron Spectrometer (XPS)

The objectives for this summer faculty fellowship were first to repair the Kratos XSAM 800 X-ray Photoelectron Spectrometer (XPS) and then to utilize the instrument to participate in ongoing research projects at KSC and in the researcher's own laboratory at UCF. The first 6 weeks were used in repairing the instrument. Working both alone and with the Kratos service engineer, a number of hardware problems, largely associated with the sample stage control system, were corrected. Defective parts were identified and fixed in the computer driver boards, the stage power supply, and the driver interface. The power supply was completely replaced. After four weeks of work, the instrument was functional. This occurred on a Wednesday. The following Friday the instrument had to be completely shut down because the power to the O & C Building was to be turned off. The instrument was properly secured. On Monday, the instrument was powered up and the original problems returned. After another 2 weeks of work, a software problem was identified. This problem caused the computer to use a defective port for the sample stage control. It was circumvented by rewriting the startup routine. The final 3 weeks of the fellowship were spent using the XPS to analyze samples being studied in the Langley materials project (Martha Williams) and a catalyst project (Dr. Orlando Melendez). During this time, several sample analysis requests from other groups at KSC also came in and those samples were run as well. The summer faculty fellowship also allowed many contacts to be made. After meeting with the sensors group, two projects were identified for collaboration and white papers are being prepared. One project aims to develop small, very sensitive hydrogen detectors and the other to develop a broad area, easily monitored, zero power consumption hydrogen detector. In addition to the work mentioned above, the XPS was utilized in a study underway in Dr. Hampton's laboratory at UCF.

Hampton, Michael D.↗

A real time data acquisition system using the MIL-STD-1553B bus

A flight digital data acquisition system that uses the MIL-STD-1553B bus for transmission of data to a host computer for control law processing is described. The instrument, the Remote Interface Unit (RIU), can accommodate up to 16 input channels and eight output channels. The RIU employs a digital signal processor to perform local digital filtering before sending data to the host. The system allows flexible sensor and actuator data organization to facilitate quick control law computations on the host computer. The instrument can also run simple control laws autonomously without host intervention. The RIU and host computer together have replaced a similar larger, ground minicomputer system with favorable results.

Peri, Frank, Jr.↗

A concurrent hybrid Navier-Stokes/Euler approach to fluid dynamic computations

We present a methodology for the numerical simulation of flow fields by the simultaneous application of two distinct approaches to computational aerodynamics. We compute the three dimensional flow field of a missile at moderate angle of attack by dividing the flow field into two regions: a region near the surface where we use a structured grid and a Navier Stokes solver, and a region farther away from the surface where we utilize an unstructured grid and an Euler solver. The two solvers execute as independent UNIX processes either on the same machine or on two machines. The solvers communicate data across their common interfaces within the same machine or over the network. The computations indicate that extensively separated flow fields can be computed without significant distortion by combining viscous and inviscid solvers.

Tavella, Domingo A.↗

Dynamic refractometer

A refractometer computer controls the rotation of a rotary plate upon which are mounted a prism optically coupled via an optical window to a spectroscopic cell holding a resin exhibiting a dynamic refractive index during photocuring. The computer system positions the prism and spectroscopic cell relative to a visible light laser which illuminates the prism-resin interface at selected incidence angles. A photodetector mounted on the plate generates a signal to the computer proportional to intensity of an internally reflected light beam. A curing light is selectively transmitted through the prism and into the photocurable resin. The refractometer determines the intensity of the internally reflected beam a selected incidence angles and determines the effective refractive index curve of the resin at an uncured state and, optionally, at a completely cured state. Next, an amount of uncured resin and selected optical components to be joined by the resin is placed in the spectroscopic cell and irradiated with the UV light. The refractometer is fixed at a selected incidence angle and measures the intensity of an internally reflected light beam of light throughout the cure cycle. The refractometer determines the resin's refractive index of the polymeric mixture by means of extrapolation of a horizontal shift in the effective refractive index curve of the resin from an uncured state to a selected point in the cure cycle.

Curley, Michael J.↗

A Modular Conjugate Heat Transfer Optimization Framework for Thermal Management of Electric Aircraft

Conjugate heat transfer (CHT) analysis and optimization is a powerful method for improving thermal management, as it simultaneously resolves the temperature distribution in both fluid and solid domains. This paper presents a modular, discrete adjoint-based CHT optimization capability integrated within the OpenMDAO/MPhys framework. A unique feature of the proposed framework is its flexibility to extend to multidisciplinary optimization, including aero-structural-thermal applications. The fluid domain is modeled using a finite-volume Computational Fluid Dynamics (CFD) solver, and the solid domain with a conduction heat transfer solver. A mixed Neumann-Dirichlet boundary condition is developed to enable full submersion of the solid geometry within the fluid domain, while ensuring consistent temperature and heat flux coupling at the CHT interface. Gradient-based optimization is performed; the gradients are efficiently computed using the discrete adjoint solvers implemented in DAFoam. To demonstrate the method, this paper considers two cases related to electric aircraft thermal management: a U-bend heat exchanger and an actively cooled battery pack. The U-bend case aims to minimize pressure loss while maximizing heat flux by changing the pipe geometry. The optimized design reduces pressure loss by 52.7% and increases total heat flux by 2.3%. In the battery pack case, a 3-by-3 cell configuration is cooled by ambient airflow, with constant heat generation prescribed in the cells. The battery casing shape serves as the design variable, and the objective function is a weighted sum of pressure loss and pack weight, subject to a maximum temperature constraint. The optimized design achieves a 44.6% reduction in pressure loss and a 1.5% reduction in weight, while satisfying the thermal constraint. To ensure the reliability of the optimized designs, this study validates coarse-mesh, steady-state predictions against fine-mesh unsteady simulations, demonstrating consistency within acceptable errors. This work demonstrates the potential of the developed framework to enable rapid, high-fidelity design of thermal management systems for electric aircraft.

heat transfer↗

Optimum interface properties for metal matrix composites

Due to the thermal expansion coefficient mismatch (CTE) between the fiber and the matrix, high residual sresses exist in metal matrix composite systems upon cool down from processing temperature to room temperature. An interface material can be placed between the fiber and the matrix to reduce the high tensile residual stresses in the matrix. A computer program was written to minimize the residual stress in the matrix subject to the interface material properties. The decision variables are the interface modulus, thickness and thermal expansion coefficient. The properties of the interface material are optimized such that the average distortion energy in the matrix and the interface is minimized. As a result, the only active variable is the thermal expansion coefficient. The optimum modulus of the interface is always the minimum allowable value and the interface thickness is always the maximum allowable value, independent of the fiber/matrix system. The optimum interface thermal expansion coefficient is always between the values of the fiber and the matrix. Using this analysis, a survey of materials was conducted for use as fiber coatings in some specific composite systems.

Ghosn, Louis J.↗

HyperCLIPS: A HyperCard interface to CLIPS

HyperCLIPS combines the intuitive, interactive user interface of the Apple Macintosh(TM) with the powerful symbolic computation of an expert system interpreter. HyperCard(TM) is an excellent environment for quickly developing the front end of an application with buttons, dialogs, and pictures, while the CLIPS interpreter provides a powerful inference engine for complex problem solving and analysis. By integrating HyperCard and CLIPS the advantages and uses of both packages are made available for a wide range of uses: rapid prototyping of knowledge-based expert systems, interactive simulations of physical systems, and intelligent control of hypertext processes, to name a few. Interfacing HyperCard and CLIPS is natural. HyperCard was designed to be extended through the use of external commands (XCMDs), and CLIPS was designed to be embedded through the use of the I/O router facilities and callable interface routines. With the exception of some technical difficulties which will be discussed later, HyperCLIPS implements this interface in a straight forward manner, using the facilities provided. An XCMD called 'ClipsX' was added to HyperCard to give access to the CLIPS routines: clear, load, reset, and run. And an I/O router was added to CLIPS to handle the communication of data between CLIPS and HyperCard.

Pickering, Brad↗

COSMIC/NASTRAN-PATRAN Interface

A three dimensional solid modeling and finite element pre and postprocessing program, PATRAN, uses the latest interactive computer graphics technology, provides a visual means to define a finite element model and its environment, and reviews its resultant model behavior. The capabilities provided by the PATRAN-COSMIC/NASTRAN interface are discussed. While the translator capabilities give some indication of the interface quality between the two programs, there are other attributes to be considered. The ideal interface would be a user transparent union of the two programs so that the engineer could move from one program to the other fluently and naturally. Hence, a valid assessment of the interface completeness must consider how close the current capabilities are to the idealized case. An example problem is presented to demonstrate how COSMIC/NASTRAN and PATRAN can be used together to meet the requirements of an actual engineering application.

Libby, D. H.↗

All‐Solid‐State Batteries With Mechanically Stable Interfaces Consisting of a Zero‐Strain Cation‐Disordered Rocksalt Cathode

Interface stabilization is critical to the development of working all‐solid‐state batteries. Rigid cathode/solid electrolyte interfaces often disintegrate due to anisotropic volume change of cathode‐active materials, resulting in irreversible capacity loss. Herein, we demonstrate that Li 1.211 Mo 0.467 Cr 0.3 O 2 (LMCO), a pioneering cation‐disordered rocksalt oxide (DRX) cathode that has intrinsically small volume change upon lithium intercalation, can be integrated with a thiophosphate‐based solid electrolyte for all‐solid‐state batteries. Interface stability of the all‐solid LMCO cell was investigated by electrochemical impedance spectroscopy, X‐ray micro‐computed tomography, and electron microscopy. Since LMCO was initially synthesized as a layered phase exhibiting a large volume change, interface disintegration can be observable in the early cycles. As layered LMCO phase‐transformed into DRX LMCO in subsequent cycles, reintegration of the interfaces occurs within a pressurized cell as a result of its zero‐stain behavior. Consequently, the DRX LMCO cathode maintains interface integrity, and thus electrical wiring, over an extended number of cycles, leading to improved capacity retention with small internal cell resistance.

DRX↗

A Transient Response Method for Linear Coupled Substructures

A method is presented for determining the transient response of a discrete coordinate model of a linear structural system composed of substructures. The method is applicable to systems consisting of any number of substructures, both determinate and indeterminate interface boundaries, and any topological arrangement of the substructures. The method is simple to implement from a computational point of view because the equations of motion of each of the substructures are solved independently, and the interface boundary compatibility conditions are enforced at each integration time step by a matrix multiplication. The method is demonstrated for a structural system consisting of two beam segments and acted upon by a time dependent force. The numerical results from the demonstration problem validates the accuracy of the method. The application of this method to structural systems with changing interface boundary conditions between substructures is discussed.

Admire, J. R.↗

A Procedure for Accurately Measuring the Shaker Overturning Moment During Random Vibration Tests

Motivation: For large system level random vibration tests, there may be some concerns about the shaker's capability for the overturning moment. It is the test conductor's responsibility to predict and monitor the overturning moment during random vibration tests. If the predicted moment is close to the shaker's capability, test conductor must measure the instantaneous moment at low levels and extrapolate to higher levels. That data will be used to decide whether it is safe to proceed to the next test level. Challenge: Kistler analog formulation for computing the real-time moment is only applicable to very limited cases in which we have 3 or 4 load cells installed at shaker interface with hardware. Approach: To overcome that limitation, a simple procedure was developed for computing the overturning moment time histories using the measured time histories of the individual load cells.

predict overturning↗