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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 55 records · Page 3

Optomechanical control of mode conversion in a hybrid semiconductor microcavity containing a quantum dot

The future of quantum communication systems and quantum networks heavily rely on the ability to fabricate and coherently control the conversion of photons between different modes based on a solid-state plateform. In this work, we propose and theoretically investigate a scheme to optomechanically control coherent mode conversion of optical photons by utilizing two optically coupled hybrid semiconductor microcavities containing a quantum dot (QD). One of the microcavity is pumped by an external laser and the second cavity is driven by light emitted by the QD that is embedded in the interface separating the two microcavities. The semiconductor microcavities can be fabricated using distributed Bragg reflectors and can be made movable. We have demonstrated that photon-mode-conversion efficiency can be coherently manipulated by the optomechanical mode under appropriate conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

System on a Chip (SoC) Overview

System-on-a-chip or system on chip (SoC or SOC) refers to integrating all components of a computer or other electronic system into a single integrated circuit (chip). It may contain digital, analog, mixed-signal, and often radio-frequency functions all on a single chip substrate. Complexity drives it all: Radiation tolerance and testability are challenges for fault isolation, propagation, and validation. Bigger single silicon die than flown before and technology is scaling below 90nm (new qual methods). Packages have changed and are bigger and more difficult to inspect, test, and understand. Add in embedded passives. Material interfaces are more complex (underfills, processing). New rules for board layouts. Mechanical and thermal designs, etc.

LaBel, Kenneth A.↗

A Continuum Damage Mechanics Model to Predict Kink-Band Propagation Using Deformation Gradient Tensor Decomposition

A new model is proposed that represents the kinematics of kink-band formation and propagation within the framework of a mesoscale continuum damage mechanics (CDM) model. The model uses the recently proposed deformation gradient decomposition approach to represent a kink band as a displacement jump via a cohesive interface that is embedded in an elastic bulk material. The model is capable of representing the combination of matrix failure in the frame of a misaligned fiber and instability due to shear nonlinearity. In contrast to conventional linear or bilinear strain softening laws used in most mesoscale CDM models for longitudinal compression, the constitutive response of the proposed model includes features predicted by detailed micromechanical models. These features include: 1) the rotational kinematics of the kink band, 2) an instability when the peak load is reached, and 3) a nonzero plateau stress under large strains.

Bergan, Andrew C.↗

Quasiparticle electronic structure of phthalocyanine:TMD interfaces from first-principles GW

Interfaces formed between monolayer transition metal dichalcogenides and (metallo)phthalocyanine molecules are promising in energy applications and provide a platform for studying mixed-dimensional molecule-semiconductor heterostructures in general. An accurate characterization of the frontier energy level alignment at these interfaces is key in the fundamental understanding of the charge transfer dynamics between the two photon absorbers. Here, we employ the first-principles substrate screening GW approach to quantitatively characterize the quasiparticle electronic structure of a series of interfaces: metal-free phthalocyanine (H 2 Pc) adsorbed on monolayer MX 2 (M = Mo, W; X = S, Se) and zinc phthalocyanine (ZnPc) adsorbed on MoX 2 (X = S, Se). Furthermore, we reveal the dielectric screening effect of the commonly used α-quartz (SiO 2 ) substrate on the H 2 Pc:MoS 2 interface using the dielectric embedding GW approach. Our calculations furnish a systematic set of GW results for these interfaces, providing the structure–property relationship across a series of similar systems and benchmarks for future experimental and theoretical studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Collaborative Data Publication Utilizing the Open Data Repository's (ODR) Data Publisher

Introduction: For small communities in diverse fields such as astrobiology, publishing and sharing data can be a difficult challenge. While large, homogenous fields often have repositories and existing data standards, small groups of independent researchers have few options for publishing standards and data that can be utilized within their community. In conjunction with teams at NASA Ames and the University of Arizona, the Open Data Repository's (ODR) Data Publisher has been conducting ongoing pilots to assess the needs of diverse research groups and to develop software to allow them to publish and share their data collaboratively. Objectives: The ODR's Data Publisher aims to provide an easy-to-use and implement software tool that will allow researchers to create and publish database templates and related data. The end product will facilitate both human-readable interfaces (web-based with embedded images, files, and charts) and machine-readable interfaces utilizing semantic standards. Characteristics: The Data Publisher software runs on the standard LAMP (Linux, Apache, MySQL, PHP) stack to provide the widest server base available. The software is based on Symfony (www.symfony.com) which provides a robust framework for creating extensible, object-oriented software in PHP. The software interface consists of a template designer where individual or master database templates can be created. A master database template can be shared by many researchers to provide a common metadata standard that will set a compatibility standard for all derivative databases. Individual researchers can then extend their instance of the template with custom fields, file storage, or visualizations that may be unique to their studies. This allows groups to create compatible databases for data discovery and sharing purposes while still providing the flexibility needed to meet the needs of scientists in rapidly evolving areas of research. Research: As part of this effort, a number of ongoing pilot and test projects are currently in progress. The Astrobiology Habitable Environments Database Working Group is developing a shared database standard using the ODR's Data Publisher and has a number of example databases where astrobiology data are shared. Soon these databases will be integrated via the template-based standard. Work with this group helps determine what data researchers in these diverse fields need to share and archive. Additionally, this pilot helps determine what standards are viable for sharing these types of data from internally developed standards to existing open standards such as the Dublin Core (http://dublincore.org) and Darwin Core (http://rs.twdg.org) metadata standards. Further studies are ongoing with the University of Arizona Department of Geosciences where a number of mineralogy databases are being constructed within the ODR Data Publisher system. Conclusions: Through the ongoing pilots and discussions with individual researchers and small research teams, a definition of the tools desired by these groups is coming into focus. As the software development moves forward, the goal is to meet the publication and collaboration needs of these scientists in an unobtrusive and functional way.

easy to use and implement software tool↗

Reconfigurable, Bi-Directional Flexfet Level Shifter for Low-Power, Rad-Hard Integration

Two prototype Reconfigurable, Bi-directional Flexfet Level Shifters (ReBiLS) have been developed, where one version is a stand-alone component designed to interface between external low voltage and high voltage, and the other version is an embedded integrated circuit (IC) for interface between internal low-voltage logic and external high-voltage components. Targeting stand-alone and embedded circuits separately allows optimization for these distinct applications. Both ReBiLS designs use the commercially available 180-nm Flex fet Independently Double-Gated (IDG) SOI CMOS (silicon on insulator, complementary metal oxide semiconductor) technology. Embedded ReBiLS circuits were integrated with a Reed-Solomon (RS) encoder using CMOS Ultra-Low-Power Radiation Tolerant (CULPRiT) double-gated digital logic circuits. The scope of the project includes: creation of a new high-voltage process, development of ReBiLS circuit designs, and adjustment of the designs to maximize performance through simulation, layout, and manufacture of prototypes. The primary technical objectives were to develop a high-voltage, thick oxide option for the 180-nm Flexfet process, and to develop a stand-alone ReBiLS IC with two 8-channel I/O busses, 1.8 2.5 I/O on the low-voltage pins, 5.0-V-tolerant input and 3.3-V output I/O on the high-voltage pins, and 100-MHz minimum operation with 10-pF external loads. Another objective was to develop an embedded, rad-hard ReBiLS I/O cell with 0.5-V low-voltage operation for interface with core logic, 5.0-V-tolerant input and 3.3-V output I/O pins, and 100-MHz minimum operation with 10- pF external loads. A third objective was to develop a 0.5- V Reed-Solomon Encoder with embedded ReBilS I/O: Transfer the existing CULPRiT RS encoder from a 0.35-micron bulk-CMOS process to the ASI 180-nm Flexfet, rad-hard SOI Process. 0.5-V low-voltage core logic. 5.0-V-tolerant input and 3.3-V output I/O pins. 100-MHz minimum operation with 10- pF external loads. The stand-alone ReBiLS chip will allow system designers to provide efficient bi-directional communication between components operating at different voltages. Embedding the ReBiLS cells into the proven Reed-Solomon encoder will demonstrate the ability to support new product development in a commercially viable, rad-hard, scalable 180-nm SOI CMOS process.

DeGregorio, Kelly↗

Rule based design of conceptual models for formative evaluation

A Human-Computer Interface (HCI) Prototyping Environment with embedded evaluation capability has been investigated. This environment will be valuable in developing and refining HCI standards and evaluating program/project interface development, especially Space Station Freedom on-board displays for payload operations. This environment, which allows for rapid prototyping and evaluation of graphical interfaces, includes the following four components: (1) a HCI development tool, (2) a low fidelity simulator development tool, (3) a dynamic, interactive interface between the HCI and the simulator, and (4) an embedded evaluator that evaluates the adequacy of a HCI based on a user's performance. The embedded evaluation tool collects data while the user is interacting with the system and evaluates the adequacy of an interface based on a user's performance. This paper describes the design of conceptual models for the embedded evaluation system using a rule-based approach.

Moore, Loretta A.↗

Rule based design of conceptual models for formative evaluation

A Human-Computer Interface (HCI) Prototyping Environment with embedded evaluation capability has been investigated. This environment will be valuable in developing and refining HCI standards and evaluating program/project interface development, especially Space Station Freedom on-board displays for payload operations. This environment, which allows for rapid prototyping and evaluation of graphical interfaces, includes the following four components: (1) a HCI development tool; (2) a low fidelity simulator development tool; (3) a dynamic, interactive interface between the HCI and the simulator; and (4) an embedded evaluator that evaluates the adequacy of a HCI based on a user's performance. The embedded evaluation tool collects data while the user is interacting with the system and evaluates the adequacy of an interface based on a user's performance. This paper describes the design of conceptual models for the embedded evaluation system using a rule-based approach.

Moore, Loretta A.↗

Modular Composite Damage Detection System (MCDDS)

The 2020 CIF funded Modular Composite Damage Detection System (MCDDS) aims to advance the technology of damage detection in composites in the areas of thin, flexible damage detection panel construction, encapsulation techniques in composite matrixes, innovative integration and interfacing techniques with flexible embedded sensory panels, repair methods of composite materials, and improved packaging of the MCDDS. Custom thin, flexible polyimide printed circuit boards (PCBs) were designed and procured for fabrication of test specimens. A custom interface PCB was designed and fabricated to monitor the newly developed damage detection test specimens. Test specimens were fabricated using the novel flexible circuitry that were either fully or partially encapsulated. The fully encapsulated specimens were used to demonstrate embedded damage detection concepts and the partially encapsulated specimens were used to demonstrate surface-mounted (laminate) damage detection concepts. The new composite damage detection test specimens were tested and evaluated to determine if the novel damage detection sensory panels could withstand low-cycle threshold fatigue loading per a modified version of American Society for Testing and Materials (ASTM) D 7264 for up to 50 cycles without void formation. The data for multiple sensory panels indicates that the newly fabricated sensory panels are robust and do indeed withstand three-point bend flexural loading for more than 50 cycles. Additionally, testing was performed to determine if damage could be detected in damage detection test specimens subjected to failure using a 3-point bend test per a modified version of ASTM D 7264. Again, multiple sensory panels (both fully and partially encapsulated) showed the ability to detect damage to specimens subjected to failure per a modified version of ASTM D 7264. Additionally, a novel concept for tracking and monitoring of cracking (and potentially delamination) in composites was designed and developed that utilizes painted-on conductors.

Christopher Forney↗

Local-global analysis of crack growth in continuously reinforced ceramic matrix composites

The development is described of a mathematical model for predicting the strength and micromechanical failure characteristics of continuously reinforced ceramic matrix composites. The local-globe analysis models the vicinity of a propagating crack tip as a local heterogeneous region (LHR) consisting of spring like representation of the matrix, fibers and interfaces. This region is embedded in an anisotropic continuum (representing the bulk composite) which is modeled by conventional finite elements. Parametric studies are conducted to investigate the effects of LHR size, component properties, interface conditions, etc. on the strength and sequence of the failure processes in the unidirectional composite system. The results are compared with those predicted by the models developed by Marshall et al. (1985) and by Budiansky et al. (1986).

Ballarini, Roberto↗

Assessment of a human computer interface prototyping environment

A Human Computer Interface (HCI) prototyping environment with embedded evaluation capability has been successfully assessed which will be valuable in developing and refining HCI standards and evaluating program/project interface development, especially Space Station Freedom on-board displays for payload operations. The HCI prototyping environment is designed to include four components: (1) a HCI format development tool, (2) a test and evaluation simulator development tool, (3) a dynamic, interactive interface between the HCI prototype and simulator, and (4) an embedded evaluation capability to evaluate the adequacy of an HCI based on a user's performance.

Moore, Loretta A.↗

Star Block Copolymers at Homopolymer Interfaces: Conformation and Compatibilization

Star block copolymers (s-BCPs), comprised of multiple linear diblock copolymers joined at a central point, are shown to segregate to the interface between two immiscible homopolymers that are identical to the blocks of the s-BCPs. The s-BCPs undergo a configurational transition at the interface, with different blocks of copolymers being embedded in their respective homopolymers, thereby bridging the interface and promoting adhesion. A series of 4-arm s-BCPs were synthesized with hydrogenated or deuterated polystyrene (PS/dPS) as the core block and poly(2-vinylpyridine) (P2VP) as the corona block, which was directly placed at the interface between the two homopolymers. Neutron reflectivity (NR) was used to determine the concentration profiles of the PS homopolymer, s-BCP core blocks, and P2VP total segments under equilibrium. The investigation varies the molecular weight (MW) and the total number of s-BCPs at the interface. Self-consistent-field theory (SCFT) was also employed to calculate the concentration profiles of the components at the interface, which were in excellent agreement with experimental results. The NR showed that the interfacial width between the homopolymers increased with the increasing number of s-BCPs at the interface up to a saturation limit. Beyond this limit, additional s-BCPs were released into the corona-miscible phase as unimolecular micelles. For a comparable interlayer thickness of s-BCPs at the interface, lower MW s-BCPs generated a broader interface. SCFT analysis suggested that, at the same packing density, the arms of the low MW s-BCPs align more parallel to the interface, while the arms of high MW s-BCPs adopt a more normal orientation, like their linear BCP counterparts. Furthermore, it was also observed that the core blocks, constrained by the junction points, were oriented more parallel and closer to the interface than the corona blocks. The phase behavior of the polymer blends revealed that s-BCP additives can efficiently reduce the domain size, with the low MW yielding smaller domain sizes due to the greater reduction in the interfacial energy and the high MW arresting phase separation due to their higher binding energy and a jamming of the interfacial assemblies. Asymmetric double cantilever beam (ADCB) tests demonstrated that s-BCPs promoted adhesion more efficiently than their linear BCP counterparts due to stronger binding energy per molecule, suggesting a more efficient compatibilizer for polymer upcycling. In conclusion, the results from these studies provide fundamental insights into the assembly of s-BCPs at homopolymer interfaces, the reduction of domain size, and promotion of adhesion, providing a strategy for the use of s-BCPs as stealth surfactants and universal compatibilizers.

interface↗

SNE Industrial Fieldbus Interface

Programmable logic controllers (PLCs) have very limited diagnostic and no prognostic capabilities, while current smart sensor designs do not have the capability to communicate over Fieldbus networks. The aim is to interface smart sensors with PLCs so that health and status information, such as failure mode identification and measurement tolerance, can be communicated via an industrial Fieldbus such as ControlNet. The SNE Industrial Fieldbus Interface (SIFI) is an embedded device that acts as a communication module in a networked smart sensor. The purpose is to enable a smart sensor to communicate health and status information to other devices, such as PLCs, via an industrial Fieldbus networking protocol. The SNE (Smart Network Element) is attached to a commercial off-the-shelf Any bus-S interface module through the SIFI. Numerous Anybus-S modules are available, each one designed to interface with a specific Fieldbus. Development of the SIFI focused on communications using the ControlNet protocol, but any of the Anybus-S modules can be used. The SIFI communicates with the Any-bus module via a data buffer and mailbox system on the Anybus module, and supplies power to the module. The Anybus module transmits and receives data on the Fieldbus using the proper protocol. The SIFI is intended to be connected to other existing SNE modules in order to monitor the health and status of a transducer. The SIFI can also monitor aspects of its own health using an onboard watchdog timer and voltage monitors. The SIFI also has the hardware to drive a touchscreen LCD (liquid crystal display) unit for manual configuration and status monitoring.

Lucena, Angel↗

Projector-Free Capped-Fragment Scheme within Density Functional Embedding Theory for Covalent and Ionic Compounds

Quantum-mechanics-(QM)-based simulations now routinely aid in understanding and even discovering new chemistries involving molecules and materials exhibiting desired functionalities. Ab initio correlated wavefunction (CW) theories systematically improve QM methods, with many exhibiting high accuracy. However, execution of CW methods requires expensive computations that typically scale poorly with system size. Divide-and-conquer approaches partition large systems into smaller fragments; a lower level of theory treats fragment interactions while a preferred higher level of theory describes the important fragment. These methods offer ways to incorporate CWs into chemical simulations of large systems, e.g., biomolecules, surfaces, large inorganic clusters, bulk crystals, etc. Here we propose a partitioning protocol that utilizes capping atoms to saturate severed covalent bonds at fragment interfaces and density functional embedding theory (DFET) to describe fragment interactions. The capping groups in each fragment provide an ad-hoc potential that approximates the effects of the environment. An embedding potential optimized via DFET then serves as an augmentation of the capping group to simulate the effects of the environment. We concurrently use an auxiliary fragment (a separate system comprised of only the combined capping groups) to account for, and thereby correct, the electron density contributions of all the capping groups added to all of the fragments. This method depends only on the capped-subsystem and auxiliary-fragment electron densities, forgoing, as with the original DFET developed for metallic systems, orbital-based projector approaches that determine a nonlocal action of the embedding potential onto the fragment electrons. By using an auxiliary fragment, the method maintains a purely electron-density-dependent embedding potential, substantially lessening the cost and leading to simpler implementation. In this work, we demonstrate the utility of our capped-DFET and ensuing capped embedded CW method in two contrasting systems, namely, an organic molecule and an ionic metal oxide cluster.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Writing instrument interfaces with xf/tktcl

Tcl is an embedded control language written in C, running primarily under Unix and with an interpreted C look-and-feel. Tk is an X11 toolkit based on tcl. Xf is an application builder for tk. The entire package is public domain and available from sprite.berkeley.edu. This paper discusses the use of tk to develop a user interface for OSIRIS, an infrared camera/spectrograph now operational on the OSU Perkins 1.8m telescope. The good and bad features of the development process are described.

Henden, A. A.↗

Helium interaction with solutes and impurities in neutron-irradiated nanostructured ferritic alloys: A first principles study

Density functional theory calculations are performed to explore the binding between He and alloying solutes, impurities, and transmutation products expected in neutron irradiated nanostructured ferritic alloys (NFAs), here 14YWT is taken as an example. Elements that exhibit significant binding (attraction) with an interstitial He are Y (binding energy = 0.46 eV), Mg (0.32), O (0.33), Ti (0.16), and C (0.15). Those that provide significant binding to a substitutional He are O (1.44), Y (1.24), N (0.73), H (0.56), Mg (0.52), Ti (0.34), Si (0.34), C (0.33), Al (0.32), Ni (0.26), Ta (0.23), and Mn (0.16). The presence of these elements in Fe matrix could reduce the transport of He towards oxide particles, dislocations, and internal boundaries, and could promote He bubble nucleation in the matrix. For convenience, we compile existing binding energy data of He with He n and He n V (He-vacancy) clusters. Dissociation pathway analysis reveals that, in general, the most likely dissociation of a He n V cluster is by a sequential emission of individual He atoms. Furthermore, larger bubbles are more prone to dissociation than smaller ones. In addition, we estimate the binding energy (segregation energy) of He in bulk Y 2 Ti 2 O 7 (YTO) single crystal, YTO/Fe interface, and YTO particle embedded in Fe, with respect to interstitial He in Fe, from existing formation energies of He in these structures. We also compile available data of He binding with Fe self-interstitial atom (SIA), SIA clusters, and edge and screw dislocations. Note that given the absence of DFT data, the binding with SIA clusters and dislocations are gathered from simulations with empirical potentials. Finally, the data presented in this paper is important to inform multiscale simulations of He bubble accumulation.

36 MATERIALS SCIENCE↗

Seeking regularity from irregularity: unveiling the synthesis–nanomorphology relationships of heterogeneous nanomaterials using unsupervised machine learning

Nanoscale morphology of functional materials determines their chemical and physical properties. However, despite increasing use of transmission electron microscopy (TEM) to directly image nanomorphology, it remains challenging to quantify the information embedded in TEM data sets, and to use nanomorphology to link synthesis and processing conditions to properties. We develop an automated, descriptor-free analysis workflow for TEM data that utilizes convolutional neural networks and unsupervised learning to quantify and classify nanomorphology, and thereby reveal synthesis–nanomorphology relationships in three different systems. While TEM records nanomorphology readily in two-dimensional (2D) images or three-dimensional (3D) tomograms, we advance the analysis of these images by identifying and applying a universal shape fingerprint function to characterize nanomorphology. After dimensionality reduction through principal component analysis, this function then serves as the input for morphology grouping through unsupervised learning. We demonstrate the wide applicability of our workflow to both 2D and 3D TEM data sets, and to both inorganic and organic nanomaterials, including tetrahedral gold nanoparticles mixed with irregularly shaped impurities, hybrid polymer-patched gold nanoprisms, and polyamide membranes with irregular and heterogeneous 3D crumple structures. In each of these systems, unsupervised nanomorphology grouping identifies both the diversity and the similarity of the nanomaterial across different synthesis conditions, revealing how synthetic parameters guide nanomorphology development. Our work opens possibilities for enhancing synthesis of nanomaterials through artificial intelligence and for understanding and controlling complex nanomorphology, both for 2D systems and in the far less explored case of 3D structures, such as those with embedded voids or hidden interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A 100-Mrad (Si) JFET-based Sensing and Communications System for Extreme Nuclear Instrumentation Environments

Dry cask storage is one of two storage methods approved by the U.S. Nuclear Regulatory Commission for spent fuel after removal from reactor cores. Dry casks consist of a stainless steel canister enclosed in a concrete overpack to contain the hazardous radioactive spent fuel rods and provide radiation shielding. Monitoring spent fuel storage casks is desired to ensure the safe containment of the enclosed spent fuel, but is very difficult due to the related harsh temperature and radiation environment. The sensors and associated electronics to monitor temperature, pressure, and/or radiation need to survive high temperatures and radiation doses for extended time periods. For this reason, there is a severe need for radiation-hardened electrical systems that survive well beyond the existing capabilities of commercially available radiation-rated electronic components, which have primarily been developed for space applications. Junction-gate field-effect transistor (JFET) devices are inherently radiation hardened [exceeding 100 Mrad (Si)]. Additionally, when JFETs are used as building blocks for sensing and communication electronics (i.e., oscillators, amplifiers, filters, and mixers), inherently radiation-hardened circuits can be achieved. To this end, JFET-based radiation-hardened electronics interfacing with cask-embedded sensors capable of driving modulated sensor signals through a stainless steel barrier were designed and tested at a dose rate of approximately 500 krad/h (Si) to beyond a 200-Mrad (Si) total ionizing dose. After 200 Mrad (Si), the sensor and communication circuit signals were correctly decoded at the receiver despite oscillator drift. The results from this experiment demonstrate the potential for creating more complex radiation-hardened JFET-based electrical systems for nuclear environments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗